[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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