[Wien] simple question about kgen

翠玉 耿 cygeng77 at yahoo.com.cn
Wed Dec 10 02:05:30 CET 2003


thanks

Torsten Andersen <thor at physik.uni-kl.de> wrote:Yeah, it is possible. Try to ask kgen to give you 0 k-points :-) That 
usually gives me just one k-point.

Best regards,
Torsten.

´äÓñ ¹¢ wrote:
> Dear prof.:
> thank you very much. one more question: there is about 100 
> atoms/unitcell in my system, after input one k-points in the BZ, it 
> generates 2 k-mesh in the IBZ. Is this possible? I post the klist file 
> here: 1 0 0 0 2 1.0 -7.0 1.5 1 k, div: ( 2 1 1)
> 2 1 0 0 2 1.0
> 
> PS: my system only x-direction is periodic, for I add vacuum to y and z 
> direction.
> 
> Best regards
> 
> 
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-- 
Dr. Torsten Andersen TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/ http://www.physik.uni-kl.de/ 


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