Skip to content

Commit

Permalink
Changes for DiagMC agreement and docstrings
Browse files Browse the repository at this point in the history
  • Loading branch information
@Neutrino155
Neutrino155 committed Sep 7, 2023
1 parent d1e79c1 commit 65656b5
Show file tree
Hide file tree
Showing 6 changed files with 694 additions and 88 deletions.
207 changes: 207 additions & 0 deletions examples/diagmc_holstein.jl
View file
Original file line number Diff line number Diff line change
@@ -0,0 +1,207 @@
holstein_3D_γ1 = [
0.0000000000e+00 -6.0000000e+00 0.00e+00
2.6315789474e-01 -6.1366554e+00 8.20e-07
5.2631578947e-01 -6.2777919e+00 2.20e-06
7.8947368421e-01 -6.4242289e+00 2.29e-06
1.0526315789e+00 -6.5771511e+00 5.10e-06
1.3157894737e+00 -6.7382623e+00 3.53e-06
1.5789473684e+00 -6.9107354e+00 1.74e-05
1.8421052632e+00 -7.1011892e+00 1.42e-05
2.1052631579e+00 -7.3304423e+00 3.86e-05
2.3684210526e+00 -7.7034440e+00 7.99e-05
2.6315789474e+00 -8.3428850e+00 1.59e-04
2.8947368421e+00 -9.0709595e+00 1.67e-04
3.1578947368e+00 -9.8200007e+00 1.70e-04
3.4210526316e+00 -1.0578700e+01 2.42e-04
3.6842105263e+00 -1.1342858e+01 2.00e-04
3.9473684211e+00 -1.2111408e+01 2.33e-04
4.2105263158e+00 -1.2882466e+01 3.41e-04
4.4736842105e+00 -1.3656192e+01 3.63e-04
4.7368421053e+00 -1.4431728e+01 3.32e-04
5.0000000000e+00 -1.5208861e+01 3.97e-04
]

holstein_3D_γ05 = [
0.0000000000e+00 -6.0000000e+00 0.00e+00
2.6315789474e-01 -6.0774177e+00 7.26e-07
5.2631578947e-01 -6.1567657e+00 9.86e-07
7.8947368421e-01 -6.2383277e+00 1.75e-06
1.0526315789e+00 -6.3224727e+00 1.35e-06
1.3157894737e+00 -6.4098072e+00 2.49e-06
1.5789473684e+00 -6.5011503e+00 1.09e-05
1.8421052632e+00 -6.5987311e+00 2.18e-05
2.1052631579e+00 -6.8428478e+00 4.53e-04
2.3684210526e+00 -7.5630622e+00 4.35e-04
2.6315789474e+00 -8.3009171e+00 5.11e-04
2.8947368421e+00 -9.0496429e+00 5.23e-04
3.1578947368e+00 -9.8061099e+00 6.27e-04
3.4210526316e+00 -1.0568365e+01 3.32e-04
3.6842105263e+00 -1.1334657e+01 5.38e-04
3.9473684211e+00 -1.2104523e+01 4.63e-04
4.2105263158e+00 -1.2876682e+01 6.39e-04
4.4736842105e+00 -1.3651230e+01 6.04e-04
4.7368421053e+00 -1.4427925e+01 9.76e-04
5.0000000000e+00 -1.5204780e+01 6.64e-04
]

holstein_3D_γ01 = [
0.0000000000e+00 -6.0000000e+00 0.00e+00
2.6315789474e-01 -6.0179690e+00 1.35e-07
5.2631578947e-01 -6.0360925e+00 2.83e-07
7.8947368421e-01 -6.0543750e+00 3.37e-07
1.0526315789e+00 -6.0728353e+00 1.84e-06
1.3157894737e+00 -6.0914690e+00 1.47e-06
1.5789473684e+00 -6.1102913e+00 1.67e-06
1.8421052632e+00 -6.1293203e+00 2.98e-06
2.1052631579e+00 -6.1485678e+00 2.39e-06
2.3684210526e+00 -6.1680471e+00 3.91e-06
2.6315789474e+00 -6.8730943e+00 4.37e-01
2.8947368421e+00 -8.6771643e+00 3.34e-01
3.1578947368e+00 -9.6794659e+00 1.06e-01
3.4210526316e+00 -1.0558886e+01 2.08e-02
3.6842105263e+00 -1.1331594e+01 1.81e-02
3.9473684211e+00 -1.2111900e+01 1.35e-02
4.2105263158e+00 -1.2866418e+01 1.50e-02
4.4736842105e+00 -1.3645939e+01 1.08e-02
4.7368421053e+00 -1.4425023e+01 1.84e-02
5.0000000000e+00 -1.5204569e+01 1.30e-02

]

holstein_2D_γ1 = [
0.0000000000e+00 -4.0000000e+00 0.00e+00
2.6315789474e-01 -4.1359019e+00 5.56e-07
5.2631578947e-01 -4.2766460e+00 8.43e-07
7.8947368421e-01 -4.4230853e+00 1.15e-06
1.0526315789e+00 -4.5763855e+00 2.70e-06
1.3157894737e+00 -4.7382340e+00 3.16e-06
1.5789473684e+00 -4.9113034e+00 1.29e-05
1.8421052632e+00 -5.0999682e+00 1.30e-05
2.1052631579e+00 -5.3123506e+00 1.78e-05
2.3684210526e+00 -5.5637318e+00 2.94e-05
2.6315789474e+00 -5.8778163e+00 4.26e-05
2.8947368421e+00 -6.2669302e+00 6.50e-05
3.1578947368e+00 -6.7119493e+00 6.67e-05
3.4210526316e+00 -7.1870273e+00 9.26e-05
3.6842105263e+00 -7.6778059e+00 1.19e-04
3.9473684211e+00 -8.1770246e+00 1.22e-04
4.2105263158e+00 -8.6818050e+00 1.35e-04
4.4736842105e+00 -9.1902640e+00 1.37e-04
4.7368421053e+00 -9.7010911e+00 1.94e-04
5.0000000000e+00 -1.0214144e+01 1.79e-04
]

holstein_2D_γ05 = [
0.0000000000e+00 -4.0000000e+00 0.00e+00
2.6315789474e-01 -4.0845321e+00 3.81e-07
5.2631578947e-01 -4.1719697e+00 9.99e-07
7.8947368421e-01 -4.2628473e+00 9.23e-07
1.0526315789e+00 -4.3579320e+00 3.19e-06
1.3157894737e+00 -4.4584914e+00 3.69e-06
1.5789473684e+00 -4.5668226e+00 1.34e-05
1.8421052632e+00 -4.6888635e+00 2.46e-05
2.1052631579e+00 -4.8574532e+00 6.40e-05
2.3684210526e+00 -5.2214787e+00 1.84e-04
2.6315789474e+00 -5.6836121e+00 1.91e-04
2.8947368421e+00 -6.1648463e+00 1.74e-04
3.1578947368e+00 -6.6557836e+00 2.60e-04
3.4210526316e+00 -7.1533989e+00 1.67e-04
3.6842105263e+00 -7.6555565e+00 2.16e-04
3.9473684211e+00 -8.1612110e+00 2.55e-04
4.2105263158e+00 -8.6696010e+00 2.98e-04
4.4736842105e+00 -9.1804792e+00 2.57e-04
4.7368421053e+00 -9.6933021e+00 3.90e-04
5.0000000000e+00 -1.0207451e+01 2.75e-04
]

holstein_2D_γ01 = [
0.0000000000e+00 -4.0000000e+00 0.00e+00
2.6315789474e-01 -4.0241706e+00 2.22e-07
5.2631578947e-01 -4.0488959e+00 2.10e-07
7.8947368421e-01 -4.0742471e+00 9.72e-07
1.0526315789e+00 -4.1003127e+00 9.73e-07
1.3157894737e+00 -4.1272118e+00 1.07e-06
1.5789473684e+00 -4.1551149e+00 2.37e-06
1.8421052632e+00 -4.1843011e+00 4.54e-06
2.1052631579e+00 -4.7136455e+00 5.70e-03
2.3684210526e+00 -5.1793350e+00 3.25e-03
2.6315789474e+00 -5.6578618e+00 7.02e-03
2.8947368421e+00 -6.1500884e+00 5.19e-03
3.1578947368e+00 -6.6497154e+00 8.25e-03
3.4210526316e+00 -7.1352350e+00 8.42e-03
3.6842105263e+00 -7.6472517e+00 5.12e-03
3.9473684211e+00 -8.1538278e+00 6.43e-03
4.2105263158e+00 -8.6667419e+00 6.04e-03
4.4736842105e+00 -9.1757154e+00 7.83e-03
4.7368421053e+00 -9.6870443e+00 7.09e-03
5.0000000000e+00 -1.0201749e+01 7.14e-03
]

holstein_1D_γ1 = [
0.0000000000e+00 -2.0000000e+00 0.00e+00
2.6315789474e-01 -2.1191070e+00 5.49e-07
5.2631578947e-01 -2.2412377e+00 5.21e-07
7.8947368421e-01 -2.3666841e+00 1.68e-06
1.0526315789e+00 -2.4958287e+00 2.31e-06
1.3157894737e+00 -2.6290997e+00 3.24e-06
1.5789473684e+00 -2.7669943e+00 1.06e-05
1.8421052632e+00 -2.9101389e+00 1.24e-05
2.1052631579e+00 -3.0592468e+00 1.07e-05
2.3684210526e+00 -3.2151324e+00 1.72e-05
2.6315789474e+00 -3.3786953e+00 1.87e-05
2.8947368421e+00 -3.5508520e+00 1.80e-05
3.1578947368e+00 -3.7324075e+00 1.87e-05
3.4210526316e+00 -3.9238699e+00 2.39e-05
3.6842105263e+00 -4.1253510e+00 2.84e-05
3.9473684211e+00 -4.3364312e+00 2.36e-05
4.2105263158e+00 -4.5562111e+00 2.95e-05
4.4736842105e+00 -4.7835880e+00 3.68e-05
4.7368421053e+00 -5.0172495e+00 4.60e-05
5.0000000000e+00 -5.2559685e+00 5.77e-05
]

holstein_1D_γ05 = [
0.0000000000e+00 -2.0000000e+00 0.00e+00
2.6315789474e-01 -2.0891282e+00 3.78e-07
5.2631578947e-01 -2.1813218e+00 7.13e-07
7.8947368421e-01 -2.2770317e+00 8.55e-07
1.0526315789e+00 -2.3768515e+00 1.67e-06
1.3157894737e+00 -2.4816196e+00 2.17e-06
1.5789473684e+00 -2.5924562e+00 7.66e-06
1.8421052632e+00 -2.7111268e+00 1.24e-05
2.1052631579e+00 -2.8402425e+00 1.61e-05
2.3684210526e+00 -2.9836987e+00 1.64e-05
2.6315789474e+00 -3.1462399e+00 3.35e-05
2.8947368421e+00 -3.3309903e+00 5.91e-05
3.1578947368e+00 -3.5364787e+00 5.63e-05
3.4210526316e+00 -3.7574646e+00 4.99e-05
3.6842105263e+00 -3.9887067e+00 6.25e-05
3.9473684211e+00 -4.2266163e+00 5.45e-05
4.2105263158e+00 -4.4691011e+00 7.25e-05
4.4736842105e+00 -4.7149003e+00 7.31e-05
4.7368421053e+00 -4.9630591e+00 7.57e-05
5.0000000000e+00 -5.2131932e+00 9.10e-05
]

holstein_1D_γ01 = [
0.0000000000e+00 -2.0000000e+00 0.00e+00
2.6315789474e-01 -2.0423283e+00 1.37e-07
5.2631578947e-01 -2.0875049e+00 6.74e-07
7.8947368421e-01 -2.1363429e+00 6.94e-07
1.0526315789e+00 -2.1901330e+00 1.20e-06
1.3157894737e+00 -2.2512431e+00 2.76e-06
1.5789473684e+00 -2.3250299e+00 8.26e-06
1.8421052632e+00 -2.4335492e+00 7.37e-05
2.1052631579e+00 -2.6101047e+00 1.85e-04
2.3684210526e+00 -2.8123521e+00 3.15e-04
2.6315789474e+00 -3.0277854e+00 4.84e-04
2.8947368421e+00 -3.2527491e+00 1.08e-03
3.1578947368e+00 -3.4838295e+00 9.85e-04
3.4210526316e+00 -3.7211608e+00 1.16e-03
3.6842105263e+00 -3.9631569e+00 1.44e-03
3.9473684211e+00 -4.2063450e+00 1.02e-03
4.2105263158e+00 -4.4533014e+00 2.13e-03
4.4736842105e+00 -4.7024131e+00 1.11e-03
4.7368421053e+00 -4.9505515e+00 1.47e-03
5.0000000000e+00 -5.2029844e+00 2.03e-03
]
10 changes: 1 addition & 9 deletions examples/kspace.jl
100644 → 100755
View file
Original file line number Diff line number Diff line change
Expand Up @@ -499,7 +499,7 @@ end
"""
function frohlich_mobility(v, w, α, ω, β)
structure_factor(t) = frohlich_structure_factor(t, v, w, α, ω, β)
1 / imag(memory_function(structure_factor); limits = [0, Inf])
1 / imag(memory_function(structure_factor; limits = [0, Inf]))
end

# ╔═╡ 7560cf27-f085-4f74-99f0-d33bfa542a9f
Expand Down Expand Up @@ -711,13 +711,6 @@ begin
vf0, wf0, Ef0, Kf0, Pf0 = optimize(best_frohlich_energy_athermal, 5, 2, upper=[100, 100])
end

# ╔═╡ 36540645-f6b4-4415-95b2-4110cb8eab50
# ╠═╡ disabled = true
#=╠═╡
# Holstein mobility from k-space integral at T = 0 (Took 4000s)
χh0 = holstein_memory_function.(Ωrange, vh0, wh0, α, ω; dims = d)
╠═╡ =#

# ╔═╡ e31fd984-0a12-4c09-9249-3191d900aaec
# Saved Holstein Memory at zero temperature (takes a while to generate)
χh0_saved = [0.714308+0.000359172im
Expand Down Expand Up @@ -2237,7 +2230,6 @@ version = "1.4.1+0"
# ╟─180ca806-a36f-47e9-a287-07b5a9624a0c
# ╠═c1022521-a44f-4c4e-9fe7-92be7842651d
# ╠═45b7b0d6-8ab8-4aa4-af9d-1da6dcdd7d26
# ╠═36540645-f6b4-4415-95b2-4110cb8eab50
# ╟─e31fd984-0a12-4c09-9249-3191d900aaec
# ╠═7411b9e8-e515-4e4a-9f24-0d3c36844fb5
# ╠═3ee52dc5-3665-4d0a-a9a2-c50c9ff8219c
Expand Down
Loading

0 comments on commit 65656b5

Please sign in to comment.