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update header for src/special_representation_domain_kpoints.jl
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thchr committed Sep 16, 2021
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Showing 1 changed file with 4 additions and 32 deletions.
36 changes: 4 additions & 32 deletions src/special_representation_domain_kpoints.jl
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# The basic goal of this endeavor is only to find the irreps that
# are missing in ISOTROPY but feature in the bandreps from Bilbao.
# There are 145 such irreps, across 20 space groups, they are: (... I manually pieced this table together)
# ┌───────┬─────────────────────────────────────────────────────────────────────────────┬───────────────┬────────────────────────────────┐
# │ │ Missing │ Missing │ [NS≡nonsymmorph; S≡symmorph] │
# │ SGs │ LGIrrep labels │ KVec labels │ Match method │
# │───────┼─────────────────────────────────────────────────────────────────────────────┼───────────────┼────────────────────────────────│
# │ 23 │ WA₁, WA₂, WA₃, WA₄ │ WA │ S: MonoOrthTetraCubic ┐ │
# │ 24 │ WA₁ │ WA │ NS: Inherits from └ 23 │
# │ 82 │ PA₁, PA₂, PA₃, PA₄ │ PA │ S: MonoOrthTetraCubic │
# │ 121 │ PA₁, PA₂, PA₃, PA₄, PA₅ │ PA │ S: MonoOrthTetraCubic ┐ │
# │ 122 │ PA₁, PA₂ │ PA │ NS: Inherits from └ 121 │
# │ 143 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ S: TriHex │
# │ 144 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Orphan (type b) ┐ │
# │ 145 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Orphan (type b) ┘ │
# │ 150 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ S: TriHex │
# │ 152 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Orphan (type b) ┐ │
# │ 154 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Orphan (type b) ┘ │
# │ 157 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ S: TriHex ───────┐ │
# │ 159 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Inherits from └ 157 │
# │ 174 │ HA₁, HA₂, HA₃, HA₄, HA₅, HA₆, KA₁, KA₂, KA₃, KA₄, KA₅, KA₆, PA₁, PA₂, PA₃ │ HA, KA, PA │ S: TriHex │
# │ 189 │ HA₁, HA₂, HA₃, HA₄, HA₅, HA₆, KA₁, KA₂, KA₃, KA₄, KA₅, KA₆, PA₁, PA₂, PA₃ │ HA, KA, PA │ S: TriHex ───────┐ │
# │ 190 │ HA₁, HA₂, HA₃, KA₁, KA₂, KA₃, KA₄, KA₅, KA₆, PA₁, PA₂, PA₃ │ HA, KA, PA │ NS: Inherits from └ 189 │
# │ 197 │ PA₁, PA₂, PA₃, PA₄ │ PA │ S: MonoOrthTetraCubic ┐ │
# │ 199 │ PA₁, PA₂, PA₃ │ PA │ NS: Inherits from └ 197 │
# │ 217 │ PA₁, PA₂, PA₃, PA₄, PA₅ │ PA │ S: MonoOrthTetraCubic ┐ │
# │ 220 │ PA₁, PA₂, PA₃ │ PA │ NS: Inherits from └ 217 │
# └───────┴─────────────────────────────────────────────────────────────────────────────┴───────────────┴────────────────────────────────┘
# Of course, in principle, we might consider trying to create ALL the missing points from Φ-Ω,
# but for what we need, this is sufficient.
# Of these space groups, only sg 82 has a nontrivial symmetry indicator classification for
# bosons with TR.
# The basic goal of this endeavor is only to find the k-points and irreps that
# are missing in ISOTROPY still belong to representation domain Φ (ISOTROPY all points from
# the basic domain Ω and some - but not all - from Φ).
# TODO: Unfortunately, it doesn't currently work.

# --- STRUCTS ---

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