If you think that there is an error in how your package is being tested or represented, please file an issue at NewPkgEval.jl , making sure to read the FAQ first.
Results with Julia v1.2.0
Testing was successful .
Last evaluation was ago and took 3 minutes, 16 seconds.
Click here to download the log file.
Click here to show the log contents.
Resolving package versions...
Installed Missings ─────────────── v0.4.3
Installed DataAPI ──────────────── v1.1.0
Installed URIParser ────────────── v0.4.0
Installed CommonSubexpressions ─── v0.2.0
Installed LineSearches ─────────── v7.0.1
Installed BinaryProvider ───────── v0.5.8
Installed StatsBase ────────────── v0.32.0
Installed PolaronMobility ──────── v1.2.0
Installed Requires ─────────────── v0.5.2
Installed Compat ───────────────── v2.2.0
Installed NLSolversBase ────────── v7.5.0
Installed FillArrays ───────────── v0.8.2
Installed ForwardDiff ──────────── v0.10.7
Installed OrderedCollections ───── v1.1.0
Installed Calculus ─────────────── v0.5.1
Installed DiffRules ────────────── v0.1.0
Installed DataStructures ───────── v0.17.6
Installed DiffEqDiffTools ──────── v1.5.0
Installed ArrayInterface ───────── v2.0.0
Installed NaNMath ──────────────── v0.3.3
Installed StaticArrays ─────────── v0.12.1
Installed DiffResults ──────────── v0.0.4
Installed SortingAlgorithms ────── v0.3.1
Installed Parameters ───────────── v0.12.0
Installed SpecialFunctions ─────── v0.8.0
Installed QuadGK ───────────────── v2.1.1
Installed PositiveFactorizations ─ v0.2.3
Installed Optim ────────────────── v0.19.5
Installed BinDeps ──────────────── v0.8.10
Updating `~/.julia/environments/v1.2/Project.toml`
[a1b829d7] + PolaronMobility v1.2.0
Updating `~/.julia/environments/v1.2/Manifest.toml`
[4fba245c] + ArrayInterface v2.0.0
[9e28174c] + BinDeps v0.8.10
[b99e7846] + BinaryProvider v0.5.8
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[d3d80556] + LineSearches v7.0.1
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[a1b829d7] + PolaronMobility v1.2.0
[85a6dd25] + PositiveFactorizations v0.2.3
[1fd47b50] + QuadGK v2.1.1
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.8.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[30578b45] + URIParser v0.4.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Building SpecialFunctions → `~/.julia/packages/SpecialFunctions/ne2iw/deps/build.log`
Testing PolaronMobility
Status `/tmp/jl_KUMOHS/Manifest.toml`
[4fba245c] ArrayInterface v2.0.0
[9e28174c] BinDeps v0.8.10
[b99e7846] BinaryProvider v0.5.8
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[d3d80556] LineSearches v7.0.1
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[a1b829d7] PolaronMobility v1.2.0
[85a6dd25] PositiveFactorizations v0.2.3
[1fd47b50] QuadGK v2.1.1
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.8.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[30578b45] URIParser v0.4.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
Alpha-parameter, Cross check 'frohlichalpha()' fn vs. literature values.
NaCl Frohlich paper, α=5.262434397679507 should be ~about 5 (Feynman1955)
CdTe α=0.35054915310975776 Stone 0.39 / Devreese 0.29
GaAs α=0.07082071131530161 Devreese 0.068
FeynmanAthermal Tests - check athermal feynmanvw(α) -> v,w literature values.
α=3.0 v=3.4213089975646316 w=2.5603150978599323 E=-3.133333518189064 | Schultz: v=3.44 w=2.55 E=-3.1333
α=5.0 v=4.034343757417134 w=2.1400182510340056 E=-5.440144454909066 | Schultz: v=4.02 w=2.13 E=-5.4401
α=7.0 v=5.809888964641099 w=1.603652371178385 E=-8.11268747938453 | Schultz: v=5.81 w=1.6 E=-8.1127
α=9.0 v=9.850249583797185 w=1.282298626819173 E=-11.485786165140802 | Schultz: v=9.85 w=1.28 E=-11.486
α=11.0 v=15.413254324999516 w=1.1620948004924119 E=-15.709808319604605 | Schultz: v=15.5 w=1.15 E=-15.71
MAPI: BScheme (athermal)
MAPI: (all values)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03850937348433297
Hellwarth (59) summation (total ir activity ^2): 3.877345891232092
Hellwarth (59) W_e (total ir activity ): 1.9690977353173946
Hellwarth (61) Omega (freq): 10.034229876494393
MAPI: (low-frequency, non molecular IR, only)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03803673767058733
Hellwarth (59) summation (total ir activity ^2): 0.19283002835623678
Hellwarth (59) W_e (total ir activity ): 0.4391241605243747
Hellwarth (61) Omega (freq): 2.251571287857919
2.251571287857919 ~= 2.25 THz
Hellwarth1999 (party like it's)
Hellwarth B scheme... Hellwarth data...
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.15505835776181887
Hellwarth (59) summation (total ir activity ^2): 38777.7725
Hellwarth (59) W_e (total ir activity ): 196.92072643579192
Hellwarth (61) Omega (freq): 500.08501275972833
500.08501275972833 ~= W 196.9 cm^-1 Ω = 500 cm^-1
Hellwarth A scheme T=0... Hellwarth data...
Hellwarth A scheme...T=0 K
Hellwarth (50) summation: 71.54392838926714
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 542.0134646368867
freq: 542.210688 pseudo-omega: 542.0134646368867
freq: 2.8784359970799675e-9 pseudo-omega: 2.8773889966419195e-9
Hellwarth A scheme T=295... Hellwarth data...
Hellwarth A scheme...T=295 K
Hellwarth (50) summation: 5.9885935189271045e12
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 6.475272094765131e-9
freq: 0.1 pseudo-omega: 8.382978857238382e-24
freq: 5.308703905666956e-13 pseudo-omega: 4.4502752600544916e-35
0.1 ~= W 196.9 cm^-1 Ω = 504 cm^-1
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.12; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.393991
Derived params in SI: ω =1.41372e+13 mb=1.09313e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 19.8620 w= 16.9606 || M=0.371400 k=106.837350
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.528075 (int units) = 2.68001e-09 m [SI]
Polaron Free Energy: A= -6.448833 B= 7.355627 C= 2.911994 F= -3.818788 = -35.534786 meV
Polaron Mobility theories:
μ(FHIP)= 0.082050 m^2/Vs = 820.50 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.019689 m^2/Vs = 196.89 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 5.42819e+13 rad/s = 8.63923e+12 /s
Tau=1/Gamma0 = 1.15751e-13 = 0.115751 ps
Energy Loss = 1.28799e-08 J/s = 80.3902 meV/ps
μ(Hellwarth1999)= 0.013642 m^2/Vs = 136.42 cm^2/Vs
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.15; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.676564
Derived params in SI: ω =1.41372e+13 mb=1.36641e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 20.0952 w= 16.8166 || M=0.427936 k=121.020014
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.499073 (int units) = 2.53282e-09 m [SI]
Polaron Free Energy: A= -6.847814 B= 8.262480 C= 3.274367 F= -4.689034 = -43.632641 meV
Polaron Mobility theories:
μ(FHIP)= 0.055402 m^2/Vs = 554.02 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.013294 m^2/Vs = 132.94 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 6.17668e+13 rad/s = 9.83048e+12 /s
Tau=1/Gamma0 = 1.01724e-13 = 0.101724 ps
Energy Loss = 1.46559e-08 J/s = 91.4751 meV/ps
μ(Hellwarth1999)= 0.009415 m^2/Vs = 94.15 cm^2/Vs
Test Summary: | Pass Total
PolaronMobility | 25 25
That's me! If I finished without interupting, all tests have passed.
Testing PolaronMobility tests passed
Results with Julia v1.3.0
Testing was successful .
Last evaluation was ago and took 3 minutes, 19 seconds.
Click here to download the log file.
Click here to show the log contents.
Resolving package versions...
Installed SortingAlgorithms ────── v0.3.1
Installed Compat ───────────────── v2.2.0
Installed DiffResults ──────────── v0.0.4
Installed QuadGK ───────────────── v2.1.1
Installed DataStructures ───────── v0.17.6
Installed StaticArrays ─────────── v0.12.1
Installed LineSearches ─────────── v7.0.1
Installed PolaronMobility ──────── v1.2.0
Installed Missings ─────────────── v0.4.3
Installed OrderedCollections ───── v1.1.0
Installed NLSolversBase ────────── v7.5.0
Installed Parameters ───────────── v0.12.0
Installed CommonSubexpressions ─── v0.2.0
Installed DataAPI ──────────────── v1.1.0
Installed PositiveFactorizations ─ v0.2.3
Installed SpecialFunctions ─────── v0.9.0
Installed ForwardDiff ──────────── v0.10.7
Installed Calculus ─────────────── v0.5.1
Installed DiffEqDiffTools ──────── v1.5.0
Installed DiffRules ────────────── v0.1.0
Installed OpenSpecFun_jll ──────── v0.5.3+1
Installed ArrayInterface ───────── v2.0.0
Installed NaNMath ──────────────── v0.3.3
Installed Requires ─────────────── v0.5.2
Installed Optim ────────────────── v0.19.5
Installed FillArrays ───────────── v0.8.2
Installed StatsBase ────────────── v0.32.0
Updating `~/.julia/environments/v1.3/Project.toml`
[a1b829d7] + PolaronMobility v1.2.0
Updating `~/.julia/environments/v1.3/Manifest.toml`
[4fba245c] + ArrayInterface v2.0.0
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[d3d80556] + LineSearches v7.0.1
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[efe28fd5] + OpenSpecFun_jll v0.5.3+1
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[a1b829d7] + PolaronMobility v1.2.0
[85a6dd25] + PositiveFactorizations v0.2.3
[1fd47b50] + QuadGK v2.1.1
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.9.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Testing PolaronMobility
Status `/tmp/jl_gKvgai/Manifest.toml`
[4fba245c] ArrayInterface v2.0.0
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[d3d80556] LineSearches v7.0.1
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[efe28fd5] OpenSpecFun_jll v0.5.3+1
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[a1b829d7] PolaronMobility v1.2.0
[85a6dd25] PositiveFactorizations v0.2.3
[1fd47b50] QuadGK v2.1.1
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.9.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
Alpha-parameter, Cross check 'frohlichalpha()' fn vs. literature values.
NaCl Frohlich paper, α=5.262434397679507 should be ~about 5 (Feynman1955)
CdTe α=0.35054915310975776 Stone 0.39 / Devreese 0.29
GaAs α=0.07082071131530161 Devreese 0.068
FeynmanAthermal Tests - check athermal feynmanvw(α) -> v,w literature values.
α=3.0 v=3.4213089975646316 w=2.5603150978599323 E=-3.133333518189064 | Schultz: v=3.44 w=2.55 E=-3.1333
α=5.0 v=4.034343757417134 w=2.1400182510340056 E=-5.440144454909066 | Schultz: v=4.02 w=2.13 E=-5.4401
α=7.0 v=5.809888964641099 w=1.603652371178385 E=-8.11268747938453 | Schultz: v=5.81 w=1.6 E=-8.1127
α=9.0 v=9.850249583797185 w=1.282298626819173 E=-11.485786165140802 | Schultz: v=9.85 w=1.28 E=-11.486
α=11.0 v=15.413254324999516 w=1.1620948004924119 E=-15.709808319604605 | Schultz: v=15.5 w=1.15 E=-15.71
MAPI: BScheme (athermal)
MAPI: (all values)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03850937348433297
Hellwarth (59) summation (total ir activity ^2): 3.877345891232092
Hellwarth (59) W_e (total ir activity ): 1.9690977353173946
Hellwarth (61) Omega (freq): 10.034229876494393
MAPI: (low-frequency, non molecular IR, only)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03803673767058733
Hellwarth (59) summation (total ir activity ^2): 0.19283002835623678
Hellwarth (59) W_e (total ir activity ): 0.4391241605243747
Hellwarth (61) Omega (freq): 2.251571287857919
2.251571287857919 ~= 2.25 THz
Hellwarth1999 (party like it's)
Hellwarth B scheme... Hellwarth data...
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.15505835776181887
Hellwarth (59) summation (total ir activity ^2): 38777.7725
Hellwarth (59) W_e (total ir activity ): 196.92072643579192
Hellwarth (61) Omega (freq): 500.08501275972833
500.08501275972833 ~= W 196.9 cm^-1 Ω = 500 cm^-1
Hellwarth A scheme T=0... Hellwarth data...
Hellwarth A scheme...T=0 K
Hellwarth (50) summation: 71.54392838926714
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 542.0134646368867
freq: 542.210688 pseudo-omega: 542.0134646368867
freq: 2.8784359970799675e-9 pseudo-omega: 2.8773889966419195e-9
Hellwarth A scheme T=295... Hellwarth data...
Hellwarth A scheme...T=295 K
Hellwarth (50) summation: 5.9885935189271045e12
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 6.475272094765131e-9
freq: 0.1 pseudo-omega: 8.382978857238382e-24
freq: 5.308703905666956e-13 pseudo-omega: 4.4502752600544916e-35
0.1 ~= W 196.9 cm^-1 Ω = 504 cm^-1
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.12; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.393991
Derived params in SI: ω =1.41372e+13 mb=1.09313e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 19.8620 w= 16.9606 || M=0.371400 k=106.837350
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.528075 (int units) = 2.68001e-09 m [SI]
Polaron Free Energy: A= -6.448833 B= 7.355627 C= 2.911994 F= -3.818788 = -35.534786 meV
Polaron Mobility theories:
μ(FHIP)= 0.082050 m^2/Vs = 820.50 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.019689 m^2/Vs = 196.89 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 5.42819e+13 rad/s = 8.63923e+12 /s
Tau=1/Gamma0 = 1.15751e-13 = 0.115751 ps
Energy Loss = 1.28799e-08 J/s = 80.3902 meV/ps
μ(Hellwarth1999)= 0.013642 m^2/Vs = 136.42 cm^2/Vs
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.15; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.676564
Derived params in SI: ω =1.41372e+13 mb=1.36641e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 20.0952 w= 16.8166 || M=0.427936 k=121.020014
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.499073 (int units) = 2.53282e-09 m [SI]
Polaron Free Energy: A= -6.847814 B= 8.262480 C= 3.274367 F= -4.689034 = -43.632641 meV
Polaron Mobility theories:
μ(FHIP)= 0.055402 m^2/Vs = 554.02 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.013294 m^2/Vs = 132.94 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 6.17668e+13 rad/s = 9.83048e+12 /s
Tau=1/Gamma0 = 1.01724e-13 = 0.101724 ps
Energy Loss = 1.46559e-08 J/s = 91.4751 meV/ps
μ(Hellwarth1999)= 0.009415 m^2/Vs = 94.15 cm^2/Vs
Test Summary: | Pass Total
PolaronMobility | 25 25
That's me! If I finished without interupting, all tests have passed.
Testing PolaronMobility tests passed
Results with Julia v1.3.1-pre-7704df0a5a
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Resolving package versions...
Installed NaNMath ──────────────── v0.3.3
Installed OpenSpecFun_jll ──────── v0.5.3+1
Installed Compat ───────────────── v2.2.0
Installed QuadGK ───────────────── v2.1.1
Installed SpecialFunctions ─────── v0.9.0
Installed DataStructures ───────── v0.17.6
Installed PolaronMobility ──────── v1.2.0
Installed Optim ────────────────── v0.19.5
Installed DiffResults ──────────── v0.0.4
Installed LineSearches ─────────── v7.0.1
Installed FillArrays ───────────── v0.8.2
Installed Missings ─────────────── v0.4.3
Installed StaticArrays ─────────── v0.12.1
Installed StatsBase ────────────── v0.32.0
Installed Calculus ─────────────── v0.5.1
Installed ForwardDiff ──────────── v0.10.7
Installed CommonSubexpressions ─── v0.2.0
Installed Parameters ───────────── v0.12.0
Installed NLSolversBase ────────── v7.5.0
Installed DataAPI ──────────────── v1.1.0
Installed Requires ─────────────── v0.5.2
Installed DiffRules ────────────── v0.1.0
Installed PositiveFactorizations ─ v0.2.3
Installed ArrayInterface ───────── v2.0.0
Installed OrderedCollections ───── v1.1.0
Installed SortingAlgorithms ────── v0.3.1
Installed DiffEqDiffTools ──────── v1.5.0
Updating `~/.julia/environments/v1.3/Project.toml`
[a1b829d7] + PolaronMobility v1.2.0
Updating `~/.julia/environments/v1.3/Manifest.toml`
[4fba245c] + ArrayInterface v2.0.0
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[d3d80556] + LineSearches v7.0.1
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[efe28fd5] + OpenSpecFun_jll v0.5.3+1
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[a1b829d7] + PolaronMobility v1.2.0
[85a6dd25] + PositiveFactorizations v0.2.3
[1fd47b50] + QuadGK v2.1.1
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.9.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Testing PolaronMobility
Status `/tmp/jl_pObkAH/Manifest.toml`
[4fba245c] ArrayInterface v2.0.0
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[d3d80556] LineSearches v7.0.1
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[efe28fd5] OpenSpecFun_jll v0.5.3+1
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[a1b829d7] PolaronMobility v1.2.0
[85a6dd25] PositiveFactorizations v0.2.3
[1fd47b50] QuadGK v2.1.1
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.9.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
Alpha-parameter, Cross check 'frohlichalpha()' fn vs. literature values.
NaCl Frohlich paper, α=5.262434397679507 should be ~about 5 (Feynman1955)
CdTe α=0.35054915310975776 Stone 0.39 / Devreese 0.29
GaAs α=0.07082071131530161 Devreese 0.068
FeynmanAthermal Tests - check athermal feynmanvw(α) -> v,w literature values.
α=3.0 v=3.4213089975646316 w=2.5603150978599323 E=-3.133333518189064 | Schultz: v=3.44 w=2.55 E=-3.1333
α=5.0 v=4.034343757417134 w=2.1400182510340056 E=-5.440144454909066 | Schultz: v=4.02 w=2.13 E=-5.4401
α=7.0 v=5.809888964641099 w=1.603652371178385 E=-8.11268747938453 | Schultz: v=5.81 w=1.6 E=-8.1127
α=9.0 v=9.850249583797185 w=1.282298626819173 E=-11.485786165140802 | Schultz: v=9.85 w=1.28 E=-11.486
α=11.0 v=15.413254324999516 w=1.1620948004924119 E=-15.709808319604605 | Schultz: v=15.5 w=1.15 E=-15.71
MAPI: BScheme (athermal)
MAPI: (all values)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03850937348433297
Hellwarth (59) summation (total ir activity ^2): 3.877345891232092
Hellwarth (59) W_e (total ir activity ): 1.9690977353173946
Hellwarth (61) Omega (freq): 10.034229876494393
MAPI: (low-frequency, non molecular IR, only)
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.03803673767058733
Hellwarth (59) summation (total ir activity ^2): 0.19283002835623678
Hellwarth (59) W_e (total ir activity ): 0.4391241605243747
Hellwarth (61) Omega (freq): 2.251571287857919
2.251571287857919 ~= 2.25 THz
Hellwarth1999 (party like it's)
Hellwarth B scheme... Hellwarth data...
Hellwarth B Scheme... (athermal)
Hellwarth (58) summation: 0.15505835776181887
Hellwarth (59) summation (total ir activity ^2): 38777.7725
Hellwarth (59) W_e (total ir activity ): 196.92072643579192
Hellwarth (61) Omega (freq): 500.08501275972833
500.08501275972833 ~= W 196.9 cm^-1 Ω = 500 cm^-1
Hellwarth A scheme T=0... Hellwarth data...
Hellwarth A scheme...T=0 K
Hellwarth (50) summation: 71.54392838926714
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 542.0134646368867
freq: 542.210688 pseudo-omega: 542.0134646368867
freq: 2.8784359970799675e-9 pseudo-omega: 2.8773889966419195e-9
Hellwarth A scheme T=295... Hellwarth data...
Hellwarth A scheme...T=295 K
Hellwarth (50) summation: 5.9885935189271045e12
Hellwarth (51) summation (total ir activity ^2): 38777.7725
Hellwarth (51) W_e (total ir activity ): 196.92072643579192
omegacoth: 6.475272094765131e-9
freq: 0.1 pseudo-omega: 8.382978857238382e-24
freq: 5.308703905666956e-13 pseudo-omega: 4.4502752600544916e-35
0.1 ~= W 196.9 cm^-1 Ω = 504 cm^-1
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.12; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.393991
Derived params in SI: ω =1.41372e+13 mb=1.09313e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 19.8620 w= 16.9606 || M=0.371400 k=106.837350
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.528075 (int units) = 2.68001e-09 m [SI]
Polaron Free Energy: A= -6.448833 B= 7.355627 C= 2.911994 F= -3.818788 = -35.534786 meV
Polaron Mobility theories:
μ(FHIP)= 0.082050 m^2/Vs = 820.50 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.019689 m^2/Vs = 196.89 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 5.42819e+13 rad/s = 8.63923e+12 /s
Tau=1/Gamma0 = 1.15751e-13 = 0.115751 ps
Energy Loss = 1.28799e-08 J/s = 80.3902 meV/ps
μ(Hellwarth1999)= 0.013642 m^2/Vs = 136.42 cm^2/Vs
Polaron mobility for system ε_Inf=4.5, ε_S=24.1, freq=2.25e12,
effectivemass=0.15; with Trange 300 ...
Polaron mobility input parameters: ε_Inf=4.500000 ε_S=24.100000 freq=2.25e+12 α=2.676564
Derived params in SI: ω =1.41372e+13 mb=1.36641e-31
T: 300.000000 β: 2.41e+20 βred: 0.36 ħω = 9.31 meV Converged? : true
Polaraon Parameters: v= 20.0952 w= 16.8166 || M=0.427936 k=121.020014
Polaron frequency (SI) v= 4.5e+13 Hz w= 3.8e+13 Hz
Polaron size (rf), following Schultz1959. (s.d. of Gaussian polaron ψ )
Schultz1959(2.4): rf= 0.499073 (int units) = 2.53282e-09 m [SI]
Polaron Free Energy: A= -6.847814 B= 8.262480 C= 3.274367 F= -4.689034 = -43.632641 meV
Polaron Mobility theories:
μ(FHIP)= 0.055402 m^2/Vs = 554.02 cm^2/Vs
μ(Kadanoff,via Devreese2016)= 0.013294 m^2/Vs = 132.94 cm^2/Vs
Eqm. Phonon. pop. Nbar: 2.308150
Gamma0 = 6.17668e+13 rad/s = 9.83048e+12 /s
Tau=1/Gamma0 = 1.01724e-13 = 0.101724 ps
Energy Loss = 1.46559e-08 J/s = 91.4751 meV/ps
μ(Hellwarth1999)= 0.009415 m^2/Vs = 94.15 cm^2/Vs
Test Summary: | Pass Total
PolaronMobility | 25 25
That's me! If I finished without interupting, all tests have passed.
Testing PolaronMobility tests passed