Dear experts,
If I want to calculate the angles between k and k+q, then should I fold back the k+q vectors in the 1st BZ if it lies outside, or calculate the angles in extended BZ?
Thank you
Anish
Angles between k and k+q
Moderator: stiwari
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Anish@1991
- Posts: 1
- Joined: Thu Mar 13, 2025 2:44 pm
- Affiliation: Eastern Institute of Technology
Re: Angles between k and k+q
Dear Anish,
As you mentioned, "angles between k and k+q" is arbitrary due to the equivalence between k and k + G, G being the reciprocal lattice vector.
However, if it can not be well-defined, it is most likely meaningless for research. So you'd better describe what you're calculating and why you need this angle.
Best,
Zhe
As you mentioned, "angles between k and k+q" is arbitrary due to the equivalence between k and k + G, G being the reciprocal lattice vector.
However, if it can not be well-defined, it is most likely meaningless for research. So you'd better describe what you're calculating and why you need this angle.
Best,
Zhe