Dear all, I am trying to cleave the surface by hand. but the result is different from the right one. And I still can not understand how do the cleaved surface coordinates come out. for example for the MgO surface. I think the (100) surface coordinate should be Mg(0 0 0) O (a a/2 a/2). while the correct one is Mg(0 0 0 ) O (a/2*sqrt{2},a/2*sqrt{2},0 ) (a = 4.212 ang) Is there anybody that can tell me where i am wrong? Thank you very much . Yours, Fen