Hi, ALL,
When I use the command ?hex2rhomb? to convert the hexagonal to rhombohedral
postions, it is found that some atoms are at the same coordinations after the
conversion. For example, Atom A (0, 0, 0) and B (1/3, 2/3, 2/3) are at
different position (space group P3M1, No. 156). When hex2rhomb is executed,
they are both in (0, 0, 0). Since they are different atoms for A and B, I
wonder there is something wrong. Could anyone provide some suggestion? Thanks
very much!
Wang Jing
????????wangjingjing at ciac.jl.cn
??????????2012-05-13
