Dear all,
i want to fix the volume and each time calculate the total energy to optimize the lattice parameter, there is any idea how to proceed. each suggestion will be appreciated. -------------------------------- Sakhraoui Taoufik Ph.D student Faculty of Sciences of Monastir Department of Physics L.M.C.N Monastir, Tunisia -------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121112/74cc2a7d/attachment.html
