Dear all when i calculate a single atomc Cu primitive cell, the energy is ~ -87 Ry. How to convert it to the eV/atom which normally is around -3.7 eV? Thanks Wong -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100203/3d6d43e5/attachment.htm