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Add symmetrize_coupling function #320

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Sep 20, 2024
Merged

Add symmetrize_coupling function #320

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15 changes: 15 additions & 0 deletions src/Symmetry/AllowedCouplings.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -158,6 +158,21 @@ function is_coupling_valid(cryst::Crystal, b::Bond, J)
end


# TODO: Try for various crystals and add unit tests.
function symmetrize_coupling(cryst::Crystal, J, b::Bond)
J = Mat3(J)
acc = zero(Mat3)
cnt = 0
b = BondPos(cryst, b)
for (symop, parity) in unique(symmetries_between_bonds(cryst, b, b))
R = cryst.latvecs * symop.R * inv(cryst.latvecs)
acc += transform_coupling_by_symmetry(J, R*det(R), parity)
cnt += 1
end
return acc / cnt
end


# Orthonormal basis of 3x3 symmetric matrices
const sym_basis = begin
b = [diagm([1, 0, 0]),
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