Dear all, I have created the above inputfile, and when i visualize it in xcrysden, there is bonding between two magnesium atoms which is not supposed to be the case. I have tried changing the lattice parameters but it doesn't seem to be working. Can any one help?
Mulwa Winfred. M Phil Student, Computational Material Science Group, Chepkoilel University College Eldoret, Kenya. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111019/2bbac41c/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: mg.scf.in Type: application/octet-stream Size: 990 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111019/2bbac41c/attachment.obj
