Hello, I would like to know how is defined the "K_e" units used as default unit for the Epsilon of the Lennard-Jones potential? What is the conversion factor to joule? Chuong -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20130613/030d73a7/attachment.htm>