[Wien] klist_band file
Torsten Andersen
thor at physik.uni-kl.de
Thu Jul 1 08:33:48 CEST 2004
Dear Ms. Xu,
RTFML... I posted an answer to this yesterday... and if it doesn't help
you, you need to specify clearly what you have been doing... in general,
you just start xcrysden from a terminal, with the right wien2k-related
options (--help for a list of options), then use the mouse to click on
special points, and you can generate a list of k-points... the rest is
described in the manual... RTFM.
Best regards,
Torsten Andersen.
WANG Yuan Xu wrote:
> Dear all,
>
> I want to get klist_band file of a BaTiO3 slab(9 layers) structure with P4/mmm.
>
> How I can get it from Xcrysden?
>
>
>
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡WANG Yuan Xu
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡wyxphy at yahoo.com.cn
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2004-06-30
--
Dr. Torsten Andersen TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de http://www.physik.uni-kl.de/
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