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- Reciprocal space and Brillouin-zone information
- Reciprocal cell vectors (1/Å)
- b x y z
- b1 -0.0000000000 -0.7557497351 0.0000000000
- b2 -0.0000000000 -0.0000000000 0.3141592654
- b3 -0.6544984695 -0.3778748675 0.0000000000
- Suggested path
- Γ—X|Y—Γ—Z|R2—Γ—T2|U2—Γ—V2|Γ—X'|Y'—Γ—Z'|R2'—Γ—T2'|U2'—Γ—V2'
- Note on time reversal: The second half of the path is required only if the system does not have time-reversal symmetry
- High-symmetry points (scaled units)
- Label k1 k2 k3
- Γ 0.0000000000 0.0000000000 0.0000000000
- R2 -0.5000000000 -0.5000000000 0.5000000000
- R2' 0.5000000000 0.5000000000 -0.5000000000
- T2 0.0000000000 -0.5000000000 0.5000000000
- T2' -0.0000000000 0.5000000000 -0.5000000000
- U2 -0.5000000000 0.0000000000 0.5000000000
- U2' 0.5000000000 -0.0000000000 -0.5000000000
- V2 0.5000000000 -0.5000000000 0.0000000000
- V2' -0.5000000000 0.5000000000 -0.0000000000
- X 0.5000000000 0.0000000000 0.0000000000
- X' -0.5000000000 -0.0000000000 -0.0000000000
- Y 0.0000000000 0.5000000000 0.0000000000
- Y' -0.0000000000 -0.5000000000 -0.0000000000
- Y2 0.0000000000 -0.5000000000 0.0000000000
- Y2' -0.0000000000 0.5000000000 -0.0000000000
- Z 0.0000000000 0.0000000000 0.5000000000
- Z' -0.0000000000 -0.0000000000 -0.5000000000
- High-symmetry points (1/Å)
- Label kx ky kz
- Γ -0.0000000000 -0.0000000000 0.0000000000
- R2 -0.3272492347 0.1889374338 -0.1570796327
- R2' 0.3272492347 -0.1889374338 0.1570796327
- T2 -0.3272492347 -0.1889374338 -0.1570796327
- T2' 0.3272492347 0.1889374338 0.1570796327
- U2 -0.3272492347 0.1889374338 0.0000000000
- U2' 0.3272492347 -0.1889374338 0.0000000000
- V2 0.0000000000 -0.3778748675 -0.1570796327
- V2' 0.0000000000 0.3778748675 0.1570796327
- X -0.0000000000 -0.3778748675 0.0000000000
- X' 0.0000000000 0.3778748675 -0.0000000000
- Y -0.0000000000 -0.0000000000 0.1570796327
- Y' 0.0000000000 0.0000000000 -0.1570796327
- Y2 0.0000000000 0.0000000000 -0.1570796327
- Y2' 0.0000000000 0.0000000000 0.1570796327
- Z -0.3272492347 -0.1889374338 0.0000000000
- Z' 0.3272492347 0.1889374338 -0.0000000000
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