Dear all ! Could anyone give me some suggestion to calculate band structure for a Silicon(111) slab which I cut from a cubic crystal structure of silicon . Can any body tell me how to mention high symmetric k-points for band structure for the Si(111) slab.
Thanks in advance S.Balaiah On Mon, Jul 7, 2014 at 4:28 PM, balu shanigaram <balus1205 at gmail.com> wrote: > Dear all ! > Could anyone give me some suggestion to calculate band structure for a > Silicon(111) slab which I cut from a cubic crystal structure of silicon . > Can any body tell me how to mention high symmetric k-points for band > structure for the Si(111) slab. > > Thanks in advance > > S.Balaiah > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140714/6f2b0936/attachment.html
