[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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