Dear QE developers, how we can calculate the binding Energy for SiC bundle nanotubes? the sum of total Energy of isolated nanotubes in unit cell - Total Energy of bundle nanotube, Or the sum of total energy of isolated Si and C atoms in unit cell - Total Energy of SiC bundle nanotube?
with regards, khodadad -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121207/859e6a66/attachment.html
