sir, how to get the atomic positions of atoms for example MgSe (one molecule} 0 0 0 1/2 1/2 1/2
like wise how to get the positions for (MgSe)n where n=2,4,6,8,10-----) i tried in crystal maker demo but i dont know how for it is correct can i have the atomic positions for the above compound ,and where can i download it or how to generate it. regards shivashankari Anna University chennai -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121122/80b701ae/attachment.html
