Hello all I am working on a Clathrate type VIII with group space 217. I calculated the atom coordinates based on the relevant Wyckoff positions and my results are in accordance to reported values in literature but the I have been met with error messages about overlap of atoms while I tried to relax the system. How can I fix the problem?
Best regards,Payam Norouzzadeh -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100604/3447eef8/attachment.htm
