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How to generate equivalent K-points in the full BZ?

Posted: Sun Nov 21, 2021 2:28 pm
by plasmon
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

Re: How to generate equivalent K-points in the full BZ?

Posted: Sun Nov 21, 2021 5:55 pm
by claudio
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