Dear developers,
In Yambo, all the calculations are for k points in the reduced Brillouin Zone(BZ). Could you please tell me how to generate all the equivalent k-points in the full BZ for a special K point in the reduced BZ? Is there any available tool currently? Thank you!
With best regards,
Hao Zhang
How to generate equivalent K-points in the full BZ?
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plasmon
- Posts: 39
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- Location: Fudan University, Shanghai, China
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How to generate equivalent K-points in the full BZ?
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
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claudio
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- Location: Marseille
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Re: How to generate equivalent K-points in the full BZ?
Dear Hao Zhang
just do:
ypp -k k
then uncomment the flags 'ListPts' and 'ExpandPts'. Run ypp and it will plot all
the k-points in the BZ.
best
Claudio
just do:
ypp -k k
then uncomment the flags 'ListPts' and 'ExpandPts'. Run ypp and it will plot all
the k-points in the BZ.
best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com