The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Zhang,

I am also curious. ;-)  Well, my suggestions are :
- Try to find papers wherein they deal with the B.Z.
   same with your case.

- Check the Bilbao site:
   http://www.cryst.ehu.es/cryst/get_kvec.html
  (you can check figures of B.Z. by following hyperlinks there)

- At libraries, you might find some reference book,
  such as
   "The theory of Brillouin zones and electronic states in crystals"
   by H. Jones  (1975)
   This kind of books are mostly out of print, but you might find
   second-hand ones in Internet (e.g. Amazon).

I would also appreciate other kinds of information about this.

Hope this helps,
Masayoshi

On 2007/03/20, at 4:51, Zhang, Waigen wrote:

> Dear all,
> Come to my question directly.How to choose special K point(or say k  
> path) when we do the band/phonon structure calculation? I know for  
> some simple structure,the special K point
> is well known.But for arbitrary structure,how can I get the special  
> K point?
> Thanks a lot
> Best,
> Zhang