dear all, i do surface calculation with pw.x, i want to estimate the C value in the tetragonal structure,? after scf calculation i find that many values of C have the same energy which you can see it in the figure. thanks ================
Sakhraoui Taoufik LMCN Faculty of science Monastir, Tunisia ================ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130310/8e6a787c/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: alat_NB.png Type: image/png Size: 5423 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130310/8e6a787c/attachment.png