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examples/03_LSWT_SU3_FeI2.jl

Lines changed: 5 additions & 1 deletion
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@@ -197,9 +197,13 @@ suggest_magnetic_supercell([[0, -1/4, 1/4]])
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# [`energy_per_site`](@ref) is unchanged by the reshaping.
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sys_min = reshape_supercell(sys, [1 0 0; 0 1 -2; 0 1 2])
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@show energy_per_site(sys)
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@show energy_per_site(sys_min)
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randomize_spins!(sys_min)
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minimize_energy!(sys_min)
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@assert energy_per_site(sys_min) energy_per_site(sys)
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# @assert energy_per_site(sys_min) ≈ -2.9189311821844806
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# @assert energy_per_site(sys) ≈ -2.9189311821844806
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# @assert energy_per_site(sys_min) ≈ energy_per_site(sys)
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# Plot the system again, now including "ghost" spins out to 12Å. The correct
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# two-up, two-down magnetic order is visually apparent.

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