[xcrysden] problem about BZ in xcrysden

[Tone Kokalj]

On Sat, 2006-09-16 at 22:02 +0800, =E7=99=BD=E5=AE=87 wrote:
> Dear users:
>   I'm doing caculation about anatase phase TiO2 with wien2k. I construc=
t a four unit cell supercell with(or without) impurity, and in xcrysedn.=20
> I see the struct which I want. when doing the band-struct ploting I use=
 xcrysden to choose k-path, then the primitive BZ and conventinal BZ are =
all=20
> not correct.


You will have to provide MORE information; at least your wien2k struct
file ...

Tone