Package evaluation of Wannier on Julia 1.13.0-DEV.1277 (fa66b63fc3*) started at 2025-10-08T09:36:20.786 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.54s ################################################################################ # Installation # Installing Wannier... Resolving package versions... Installed Wannier ─ v0.3.4 Updating `~/.julia/environments/v1.13/Project.toml` [2b19380a] + Wannier v0.3.4 Updating `~/.julia/environments/v1.13/Manifest.toml` [47edcb42] + ADTypes v1.18.0 [79e6a3ab] + Adapt v4.4.0 [66dad0bd] + AliasTables v1.1.3 [4fba245c] + ArrayInterface v7.20.0 ⌅ [ada6cbde] + Bravais v0.1.9 ⌃ [23470ee3] + Brillouin v0.5.20 [bbf7d656] + CommonSubexpressions v0.3.1 [863f3e99] + Comonicon v1.0.8 [34da2185] + Compat v4.18.1 [5218b696] + Configurations v0.17.6 [187b0558] + ConstructionBase v1.6.0 ⌅ [80545937] + CrystallographyCore v0.3.3 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.19.1 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [a0c0ee7d] + DifferentiationInterface v0.7.8 [c3f9d41a] + DirectQhull v0.2.1 [b4f34e82] + Distances v0.10.12 [ffbed154] + DocStringExtensions v0.9.5 [4e289a0a] + EnumX v1.0.5 [55351af7] + ExproniconLite v0.10.14 [8f5d6c58] + EzXML v1.2.2 [1a297f60] + FillArrays v1.14.0 [6a86dc24] + FiniteDiff v2.28.1 [c58ffaec] + FortranFiles v0.6.2 [f6369f11] + ForwardDiff v1.2.1 [c27321d9] + Glob v1.3.1 [92d709cd] + IrrationalConstants v0.2.4 [692b3bcd] + JLLWrappers v1.7.1 ⌅ [7031d0ef] + LazyGrids v0.4.0 [d3d80556] + LineSearches v7.4.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [1914dd2f] + MacroTools v0.5.16 [e1d29d7a] + Missings v1.2.0 [d41bc354] + NLSolversBase v7.10.0 [77ba4419] + NaNMath v1.1.3 [b8a86587] + NearestNeighbors v0.4.22 [429524aa] + Optim v1.13.2 [bac558e1] + OrderedCollections v1.8.1 [9b87118b] + PackageCompiler v2.2.2 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 [85a6dd25] + PositiveFactorizations v0.2.4 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.0 [49802e3a] + ProgressBars v1.5.1 [43287f4e] + PtrArrays v1.3.0 [189a3867] + Reexport v1.2.2 [05181044] + RelocatableFolders v1.0.1 [ae029012] + Requires v1.3.1 [6c6a2e73] + Scratch v1.3.0 [efcf1570] + Setfield v1.1.2 [a2af1166] + SortingAlgorithms v1.2.2 [276daf66] + SpecialFunctions v2.6.1 ⌅ [f761d5c5] + Spglib v0.9.3 [90137ffa] + StaticArrays v1.9.15 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.6 [6ec83bb0] + StructEquality v2.1.0 [8e1ec7a9] + SumTypes v0.5.8 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.25.0 [2b19380a] + Wannier v0.3.4 ⌅ [cb1bc77f] + WannierIO v0.1.0 [94ce4f54] + Libiconv_jll v1.18.0+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 ⌅ [784f63db] + Qhull_jll v8.0.1004+0 [02c8fc9c] + XML2_jll v2.14.4+0 [ac4a9f1e] + spglib_jll v2.6.0+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [4af54fe1] + LazyArtifacts v1.11.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.13.0 [de0858da] + Printf v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.11.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.16.0+0 [e37daf67] + LibGit2_jll v1.9.1+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.9.9 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.4+0 [efcefdf7] + PCRE2_jll v10.46.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.67.1+0 [3f19e933] + p7zip_jll v17.6.0+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m` Building Wannier → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/6a50edd17f3ebdcbf59e411403f54b79ff6a1958/build.log` Installation completed after 738.64s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling packages... 5299.8 ms ✓ TestEnv 1 dependency successfully precompiled in 6 seconds. 27 already precompiled. ┌ Warning: Could not use exact versions of packages in manifest, re-resolving └ @ TestEnv ~/.julia/packages/TestEnv/nGMfF/src/julia-1.11/activate_set.jl:76 Precompiling package dependencies... Precompilation completed after 326.32s ################################################################################ # Testing # Testing Wannier Test Could not use exact versions of packages in manifest, re-resolving. Note: if you do not check your manifest file into source control, then you can probably ignore this message. However, if you do check your manifest file into source control, then you probably want to pass the `allow_reresolve = false` kwarg when calling the `Pkg.test` function. Updating `/tmp/jl_SEy37c/Project.toml` ⌅ [4c88cf16] + Aqua v0.5.6 ⌅ [98e50ef6] + JuliaFormatter v1.0.62 [2b19380a] + Wannier v0.3.4 [ddb6d928] + YAML v0.4.14 [8dfed614] ~ Test ⇒ v1.11.0 Updating `/tmp/jl_SEy37c/Manifest.toml` [66dad0bd] + AliasTables v1.1.3 ⌅ [4c88cf16] + Aqua v0.5.6 [00ebfdb7] + CSTParser v3.4.3 ⌅ [a80b9123] + CommonMark v0.8.16 [863f3e99] + Comonicon v1.0.8 [34da2185] + Compat v4.18.1 [5218b696] + Configurations v0.17.6 [a8cc5b0e] + Crayons v4.1.1 ⌅ [80545937] + CrystallographyCore v0.3.3 [9a962f9c] + DataAPI v1.16.0 ⌅ [864edb3b] + DataStructures v0.18.22 [8bb1440f] + DelimitedFiles v1.9.1 [b4f34e82] + Distances v0.10.12 [4e289a0a] + EnumX v1.0.5 [55351af7] + ExproniconLite v0.10.14 [8f5d6c58] + EzXML v1.2.2 [1a297f60] + FillArrays v1.14.0 [c58ffaec] + FortranFiles v0.6.2 [c27321d9] + Glob v1.3.1 ⌅ [98e50ef6] + JuliaFormatter v1.0.62 ⌅ [7031d0ef] + LazyGrids v0.4.0 [d3d80556] + LineSearches v7.4.0 [e1d29d7a] + Missings v1.2.0 [b8a86587] + NearestNeighbors v0.4.22 [429524aa] + Optim v1.13.2 [bac558e1] + OrderedCollections v1.8.1 [9b87118b] + PackageCompiler v2.2.2 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 [85a6dd25] + PositiveFactorizations v0.2.4 [49802e3a] + ProgressBars v1.5.1 [43287f4e] + PtrArrays v1.3.0 [05181044] + RelocatableFolders v1.0.1 [6c6a2e73] + Scratch v1.3.0 [a2af1166] + SortingAlgorithms v1.2.2 ⌅ [f761d5c5] + Spglib v0.9.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.6 [69024149] + StringEncodings v0.3.7 [6ec83bb0] + StructEquality v2.1.0 [8e1ec7a9] + SumTypes v0.5.8 [0796e94c] + Tokenize v0.5.29 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.25.0 [2b19380a] + Wannier v0.3.4 ⌅ [cb1bc77f] + WannierIO v0.1.0 [ddb6d928] + YAML v0.4.14 [94ce4f54] + Libiconv_jll v1.18.0+0 [02c8fc9c] + XML2_jll v2.14.4+0 [ac4a9f1e] + spglib_jll v2.6.0+0 [0dad84c5] + ArgTools v1.1.2 [2a0f44e3] + Base64 v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [4af54fe1] + LazyArtifacts v1.11.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.13.0 [3fa0cd96] + REPL v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.11.0 [a4e569a6] + Tar v1.10.0 [8dfed614] ~ Test ⇒ v1.11.0 [deac9b47] + LibCURL_jll v8.16.0+0 [e37daf67] + LibGit2_jll v1.9.1+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.9.9 [458c3c95] + OpenSSL_jll v3.5.4+0 [efcefdf7] + PCRE2_jll v10.46.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850ede] + nghttp2_jll v1.67.1+0 [3f19e933] + p7zip_jll v17.6.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Test Successfully re-resolved Status `/tmp/jl_SEy37c/Project.toml` ⌅ [4c88cf16] Aqua v0.5.6 ⌃ [23470ee3] Brillouin v0.5.20 ⌅ [98e50ef6] JuliaFormatter v1.0.62 [d41bc354] NLSolversBase v7.10.0 [2b19380a] Wannier v0.3.4 [ddb6d928] YAML v0.4.14 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_SEy37c/Manifest.toml` [47edcb42] ADTypes v1.18.0 [79e6a3ab] Adapt v4.4.0 [66dad0bd] AliasTables v1.1.3 ⌅ [4c88cf16] Aqua v0.5.6 [4fba245c] ArrayInterface v7.20.0 ⌅ [ada6cbde] Bravais v0.1.9 ⌃ [23470ee3] Brillouin v0.5.20 [00ebfdb7] CSTParser v3.4.3 ⌅ [a80b9123] CommonMark v0.8.16 [bbf7d656] CommonSubexpressions v0.3.1 [863f3e99] Comonicon v1.0.8 [34da2185] Compat v4.18.1 [5218b696] Configurations v0.17.6 [187b0558] ConstructionBase v1.6.0 [a8cc5b0e] Crayons v4.1.1 ⌅ [80545937] CrystallographyCore v0.3.3 [9a962f9c] DataAPI v1.16.0 ⌅ [864edb3b] DataStructures v0.18.22 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [a0c0ee7d] DifferentiationInterface v0.7.8 [c3f9d41a] DirectQhull v0.2.1 [b4f34e82] Distances v0.10.12 [ffbed154] DocStringExtensions v0.9.5 [4e289a0a] EnumX v1.0.5 [55351af7] ExproniconLite v0.10.14 [8f5d6c58] EzXML v1.2.2 [1a297f60] FillArrays v1.14.0 [6a86dc24] FiniteDiff v2.28.1 [c58ffaec] FortranFiles v0.6.2 [f6369f11] ForwardDiff v1.2.1 [c27321d9] Glob v1.3.1 [92d709cd] IrrationalConstants v0.2.4 [692b3bcd] JLLWrappers v1.7.1 ⌅ [98e50ef6] JuliaFormatter v1.0.62 ⌅ [7031d0ef] LazyGrids v0.4.0 [d3d80556] LineSearches v7.4.0 [2ab3a3ac] LogExpFunctions v0.3.29 [1914dd2f] MacroTools v0.5.16 [e1d29d7a] Missings v1.2.0 [d41bc354] NLSolversBase v7.10.0 [77ba4419] NaNMath v1.1.3 [b8a86587] NearestNeighbors v0.4.22 [429524aa] Optim v1.13.2 [bac558e1] OrderedCollections v1.8.1 [9b87118b] PackageCompiler v2.2.2 [d96e819e] Parameters v0.12.3 [7b2266bf] PeriodicTable v1.2.1 [85a6dd25] PositiveFactorizations v0.2.4 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.0 [49802e3a] ProgressBars v1.5.1 [43287f4e] PtrArrays v1.3.0 [189a3867] Reexport v1.2.2 [05181044] RelocatableFolders v1.0.1 [ae029012] Requires v1.3.1 [6c6a2e73] Scratch v1.3.0 [efcf1570] Setfield v1.1.2 [a2af1166] SortingAlgorithms v1.2.2 [276daf66] SpecialFunctions v2.6.1 ⌅ [f761d5c5] Spglib v0.9.3 [90137ffa] StaticArrays v1.9.15 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.7.1 [2913bbd2] StatsBase v0.34.6 [69024149] StringEncodings v0.3.7 [6ec83bb0] StructEquality v2.1.0 [8e1ec7a9] SumTypes v0.5.8 [0796e94c] Tokenize v0.5.29 [3a884ed6] UnPack v1.0.2 [1986cc42] Unitful v1.25.0 [2b19380a] Wannier v0.3.4 ⌅ [cb1bc77f] WannierIO v0.1.0 [ddb6d928] YAML v0.4.14 [94ce4f54] Libiconv_jll v1.18.0+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 ⌅ [784f63db] Qhull_jll v8.0.1004+0 [02c8fc9c] XML2_jll v2.14.4+0 [ac4a9f1e] spglib_jll v2.6.0+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [f43a241f] Downloads v1.7.0 [7b1f6079] FileWatching v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [4af54fe1] LazyArtifacts v1.11.0 [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.13.0 [de0858da] Printf v1.11.0 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.13.0 [f489334b] StyledStrings v1.11.0 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] LibCURL_jll v8.16.0+0 [e37daf67] LibGit2_jll v1.9.1+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.9.9 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [458c3c95] OpenSSL_jll v3.5.4+0 [efcefdf7] PCRE2_jll v10.46.0+0 [bea87d4a] SuiteSparse_jll v7.10.1+0 [83775a58] Zlib_jll v1.3.1+2 [3161d3a3] Zstd_jll v1.5.7+1 [8e850b90] libblastrampoline_jll v5.15.0+0 [8e850ede] nghttp2_jll v1.67.1+0 [3f19e933] p7zip_jll v17.6.0+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... Test Summary: | Total Time Method ambiguity | 0 0.0s ┌ Warning: `isbindingresolved(m::Module, var::Symbol)` is deprecated, use `true` instead. │ caller = walkmodules(f::Aqua.var"#detect_unbound_args_recursively##0#detect_unbound_args_recursively##1"{Vector{Any}}, x::Module) at exports.jl:5 └ @ Core ~/.julia/packages/Aqua/bqhPD/src/exports.jl:5 Test Summary: | Pass Total Time Unbound type parameters | 1 1 3.6s ┌ Warning: `isbindingresolved(m::Module, var::Symbol)` is deprecated, use `true` instead. │ caller = walkmodules(f::Aqua.var"#undefined_exports##0#undefined_exports##1"{Vector{Symbol}}, x::Module) at exports.jl:5 └ @ Core ~/.julia/packages/Aqua/bqhPD/src/exports.jl:5 Test Summary: | Pass Total Time Undefined exports | 1 1 0.3s Test Summary: | Total Time Compare Project.toml and test/Project.toml | 0 0.0s Test Summary: | Pass Total Time Stale dependencies | 1 1 27.3s Test Summary: | Pass Total Time Compat bounds | 1 1 2.9s Test Summary: | Pass Total Time Project.toml formatting | 2 2 0.7s [ Info: Reading nnkp file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.nnkp n_kpts = 64 n_bvecs = 8 [ Info: Reading nnkp file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.nnkp n_kpts = 64 n_bvecs = 8 [ Info: Writing nnkp file: /tmp/jl_baV8p8pSJk [ Info: Reading nnkp file: /tmp/jl_baV8p8pSJk n_kpts = 64 n_bvecs = 8 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 [ Info: Written to /tmp/jl_lkNYAk/silicon_band.kpt [ Info: Written to /tmp/jl_lkNYAk/silicon_band.dat [ Info: Written to /tmp/jl_lkNYAk/silicon_band.labelinfo.dat [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/ws/silicon_wsvec.dat ## written on 3Aug2022 at 20:35:31 with use_ws_distance=.false. [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/ws/silicon_tb.dat written on 3Aug2022 at 20:35:31 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/mdrs/silicon_wsvec.dat ## written on 3Aug2022 at 20:34:14 with use_ws_distance=.true. [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/mdrs/silicon_tb.dat written on 3Aug2022 at 20:34:14 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/mdrs/silicon_wsvec.dat ## written on 3Aug2022 at 20:34:14 with use_ws_distance=.true. [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/mdrs/silicon_tb.dat written on 3Aug2022 at 20:34:14 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Written to file: /tmp/jl_ETWizH/silicon.eig [ Info: Written to file: /tmp/jl_ETWizH/silicon.mmn [ Info: Written to file: /tmp/jl_ETWizH/silicon.amn [ Info: Reading /tmp/jl_ETWizH/silicon.amn header = Created by WannierIO.jl 2025-10-08T09:58:03.720 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /tmp/jl_ETWizH/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Reading mmn file: /tmp/jl_ETWizH/silicon.mmn header = Created by WannierIO.jl 2025-10-08T09:58:03.631 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.eig n_bands = 4 n_kpts = 64 ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.chk.fmt" ┌ Warning: Two kpoints in kpoint_path have same label but different coordinates, I will append a number to the label │ label = :X │ k1 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 0.0 0.5 │ k2 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 -0.5 0.0 └ @ Wannier ~/.julia/packages/Wannier/BPN1x/src/util/kpath.jl:52 ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.chk.fmt" [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Written to file: /tmp/jl_Ryb2HEjGVS ┌ Info: Reading chk file: └ filename = "/tmp/jl_Ryb2HEjGVS" ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.chk.fmt" b-vector shell 1 weight = 1.47595 1 -0.29102 -0.29102 -0.29102 2 0.29102 0.29102 -0.29102 3 -0.29102 -0.29102 0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 -0.29102 0.29102 7 0.29102 0.29102 0.29102 8 -0.29102 0.29102 -0.29102 Finite difference condition satisfied [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene/graphene.win num_wann = 12 num_bands = 60 mp_grid = 24 24 1 [ Info: Reading nnkp file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene/graphene.nnkp n_kpts = 576 n_bvecs = 8 b-vector shell 1 weight = 66.22076 1 0.06144 0.03547 0.00000 2 -0.06144 -0.03547 0.00000 3 0.00000 0.07095 0.00000 4 0.00000 -0.07095 0.00000 5 -0.06144 0.03547 0.00000 6 0.06144 -0.03547 0.00000 b-vector shell 2 weight = 11.39863 1 0.00000 0.00000 -0.20944 2 0.00000 0.00000 0.20944 Finite difference condition satisfied [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/kmesh_tol/Se2Sn.win num_wann = 12 num_bands = 29 mp_grid = 10 10 5 [ Info: Reading nnkp file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/kmesh_tol/Se2Sn.nnkp n_kpts = 500 n_bvecs = 10 b-vector shell 1 weight = 15.33016 1 0.00000 0.00000 -0.18060 2 0.00000 0.00000 0.18060 b-vector shell 2 weight = 9.41375 1 0.18818 0.00000 0.00000 2 -0.18818 -0.00000 -0.00000 b-vector shell 3 weight = 9.41285 1 0.09409 -0.16297 0.00000 2 -0.09409 0.16297 -0.00000 3 -0.09409 -0.16297 -0.00000 4 0.09409 0.16297 0.00000 b-vector shell 4 weight = 0.00005 1 0.18818 0.00000 -0.18060 2 -0.18818 -0.00000 0.18060 Finite difference condition satisfied [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 ┌ Warning: Two kpoints in kpoint_path have same label but different coordinates, I will append a number to the label │ label = :X │ k1 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 0.0 0.5 │ k2 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 -0.5 0.0 └ @ Wannier ~/.julia/packages/Wannier/BPN1x/src/util/kpath.jl:52 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 ┌ Warning: Two kpoints in kpoint_path have same label but different coordinates, I will append a number to the label │ label = :X │ k1 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 0.0 0.5 │ k2 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 -0.5 0.0 └ @ Wannier ~/.julia/packages/Wannier/BPN1x/src/util/kpath.jl:52 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/band/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 ┌ Warning: Two kpoints in kpoint_path have same label but different coordinates, I will append a number to the label │ label = :X │ k1 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 0.0 0.5 │ k2 = │ 1×3 adjoint(::StaticArraysCore.SVector{3, Float64}) with eltype Float64 with indices SOneTo(1)×SOneTo(3): │ 0.5 -0.5 0.0 └ @ Wannier ~/.julia/packages/Wannier/BPN1x/src/util/kpath.jl:52 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.ptg.amn header = Created by Wannier.jl 2022-06-30T11:22:10.769 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų 1 -0.08050 0.02124 0.12388 2.38917 2 0.33467 0.20793 0.09781 3.24078 3 -0.00209 0.04538 -0.39906 3.23568 4 -0.26775 -0.28754 0.20909 3.12790 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 5.81271 Ω̃ = 6.18083 ΩOD = 5.85009 ΩD = 0.33075 Ω = 11.99354 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 1.199354e+01 6.400928e-01 * time: 0.0020117759704589844 1 1.056731e+01 5.286616e-02 * time: 2.705183982849121 2 1.024433e+01 3.108356e-02 * time: 2.7272160053253174 3 1.012460e+01 2.569044e-02 * time: 2.750325918197632 4 9.794093e+00 1.293578e-01 * time: 2.773791790008545 5 9.191410e+00 1.265237e-01 * time: 2.795365810394287 6 8.732243e+00 9.617394e-02 * time: 2.8119699954986572 7 8.183125e+00 3.026480e-02 * time: 2.8368349075317383 8 8.011459e+00 2.924834e-02 * time: 2.861893892288208 9 7.898667e+00 2.194181e-02 * time: 2.8871428966522217 10 7.846149e+00 1.849290e-02 * time: 2.9132888317108154 11 7.807167e+00 1.908574e-02 * time: 2.938687801361084 12 7.761435e+00 1.670547e-02 * time: 2.9641947746276855 13 7.622398e+00 4.338917e-02 * time: 2.9979169368743896 14 7.418721e+00 6.491480e-02 * time: 3.0237419605255127 15 7.004706e+00 7.191764e-02 * time: 3.0491387844085693 16 6.619114e+00 5.295562e-02 * time: 3.067612886428833 17 6.482265e+00 1.794311e-02 * time: 3.0858418941497803 18 6.422082e+00 1.612176e-02 * time: 3.1127769947052 19 6.394932e+00 9.697488e-03 * time: 3.221560001373291 20 6.385748e+00 1.184396e-02 * time: 3.2395617961883545 21 6.378937e+00 4.173263e-03 * time: 3.258936882019043 22 6.376439e+00 2.767012e-03 * time: 3.2792069911956787 23 6.375365e+00 2.375932e-03 * time: 3.298261880874634 24 6.375057e+00 1.075015e-03 * time: 3.316915988922119 25 6.374941e+00 6.167922e-04 * time: 3.3370208740234375 26 6.374883e+00 6.297111e-04 * time: 3.3830478191375732 27 6.374845e+00 4.120670e-04 * time: 3.4011847972869873 28 6.374829e+00 2.080230e-04 * time: 3.4197700023651123 29 6.374826e+00 1.175401e-04 * time: 3.438494920730591 30 6.374825e+00 7.634328e-05 * time: 3.457319974899292 31 6.374824e+00 6.739957e-05 * time: 3.4766128063201904 32 6.374824e+00 3.080298e-05 * time: 3.4946279525756836 33 6.374824e+00 2.051090e-05 * time: 3.511274814605713 * Status: success * Candidate solution Final objective value: 6.374824e+00 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 7.55e-05 ≰ 0.0e+00 |x - x'|/|x'| = 7.55e-05 ≰ 0.0e+00 |f(x) - f(x')| = 1.16e-07 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.81e-08 ≤ 1.0e-07 |g(x)| = 2.05e-05 ≰ 1.0e-05 * Work counters Seconds run: 4 (vs limit Inf) Iterations: 33 f(x) calls: 98 ∇f(x) calls: 99 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų 1 0.67471 -0.67471 -0.67470 1.59368 2 0.67469 0.67471 0.67470 1.59371 3 -0.67469 0.67470 -0.67470 1.59373 4 -0.67471 -0.67469 0.67470 1.59371 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 5.81271 Ω̃ = 0.56211 ΩOD = 0.56211 ΩD = 0.00000 Ω = 6.37482 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų 1 1.34940 1.34940 1.34940 1.76384 2 1.34840 1.34882 1.34940 2.44309 3 1.34940 1.34882 1.34857 2.44730 4 1.34840 1.34940 1.34856 2.44350 5 0.00000 -0.00000 0.00000 1.76384 6 0.00100 0.00059 -0.00000 2.44362 7 -0.00000 0.00058 0.00083 2.44804 8 0.00100 0.00000 0.00084 2.44204 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 12.27407 Ω̃ = 5.92119 ΩOD = 5.84366 ΩD = 0.07754 Ω = 18.19526 [ Info: Initial spread (with states freezed) WF center [rx, ry, rz]/Å spread/Ų 1 1.34940 1.34940 1.34940 2.15987 2 1.34943 1.34942 1.34940 2.72514 3 1.34940 1.34941 1.34942 2.72842 4 1.34943 1.34940 1.34942 2.72862 5 -0.00000 0.00000 0.00000 2.15987 6 -0.00003 -0.00001 0.00000 2.72731 7 -0.00000 -0.00001 -0.00002 2.73156 8 -0.00003 -0.00000 -0.00002 2.72333 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 13.76138 Ω̃ = 6.92273 ΩOD = 6.79229 ΩD = 0.13044 Ω = 20.68411 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 2.068411e+01 5.468859e-01 * time: 0.005628108978271484 1 1.847178e+01 4.566261e-02 * time: 1.2275781631469727 * Status: failure (reached maximum number of iterations) * Candidate solution Final objective value: 1.847178e+01 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 4.12e-01 ≰ 0.0e+00 |x - x'|/|x'| = 4.12e-01 ≰ 0.0e+00 |f(x) - f(x')| = 2.21e+00 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.20e-01 ≰ 1.0e-07 |g(x)| = 4.57e-02 ≰ 1.0e-05 * Work counters Seconds run: 1 (vs limit Inf) Iterations: 1 f(x) calls: 4 ∇f(x) calls: 5 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų 1 1.34944 1.34942 1.34943 1.85007 2 1.34906 1.34925 1.34938 2.45940 3 1.34937 1.34928 1.34918 2.46269 4 1.34909 1.34938 1.34917 2.46385 5 -0.00003 -0.00001 -0.00002 1.85007 6 0.00033 0.00012 0.00002 2.46206 7 0.00003 0.00015 0.00022 2.46649 8 0.00033 0.00002 0.00023 2.45716 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 11.71825 Ω̃ = 6.75353 ΩOD = 6.60587 ΩD = 0.14766 Ω = 18.47178 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų 1 1.34940 1.34940 1.34940 1.76384 2 1.34840 1.34882 1.34940 2.44309 3 1.34940 1.34882 1.34857 2.44730 4 1.34840 1.34940 1.34856 2.44350 5 0.00000 -0.00000 0.00000 1.76384 6 0.00100 0.00059 -0.00000 2.44362 7 -0.00000 0.00058 0.00083 2.44804 8 0.00100 0.00000 0.00084 2.44204 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 12.27407 Ω̃ = 5.92119 ΩOD = 5.84366 ΩD = 0.07754 Ω = 18.19526 [ Info: Initial spread (with states freezed) WF center [rx, ry, rz]/Å spread/Ų 1 1.34940 1.34940 1.34940 2.15987 2 1.34943 1.34942 1.34940 2.72514 3 1.34940 1.34941 1.34942 2.72842 4 1.34943 1.34940 1.34942 2.72862 5 -0.00000 0.00000 0.00000 2.15987 6 -0.00003 -0.00001 0.00000 2.72731 7 -0.00000 -0.00001 -0.00002 2.73156 8 -0.00003 -0.00000 -0.00002 2.72333 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 13.76138 Ω̃ = 6.92273 ΩOD = 6.79229 ΩD = 0.13044 Ω = 20.68411 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 2.068411e+01 5.468859e-01 * time: 0.012696027755737305 1 1.847178e+01 4.566261e-02 * time: 0.0727388858795166 2 1.821797e+01 1.478006e-02 * time: 0.11827588081359863 3 1.815900e+01 1.269284e-02 * time: 0.18035101890563965 4 1.813021e+01 9.138872e-03 * time: 0.242326021194458 * Status: failure (reached maximum number of iterations) * Candidate solution Final objective value: 1.813021e+01 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 2.15e-02 ≰ 0.0e+00 |x - x'|/|x'| = 2.15e-02 ≰ 0.0e+00 |f(x) - f(x')| = 2.88e-02 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.59e-03 ≰ 1.0e-07 |g(x)| = 9.14e-03 ≰ 1.0e-05 * Work counters Seconds run: 0 (vs limit Inf) Iterations: 4 f(x) calls: 12 ∇f(x) calls: 13 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų 1 1.34954 1.34946 1.34950 1.67204 2 1.34840 1.34897 1.34922 2.46041 3 1.34915 1.34904 1.34875 2.46695 4 1.34849 1.34927 1.34872 2.46573 5 -0.00014 -0.00006 -0.00010 1.67205 6 0.00097 0.00036 0.00019 2.46376 7 0.00027 0.00040 0.00065 2.47182 8 0.00094 0.00011 0.00066 2.45744 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 11.67269 Ω̃ = 6.45752 ΩOD = 6.34121 ΩD = 0.11631 Ω = 18.13021 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.ptg.amn header = Created by Wannier.jl 2022-06-30T11:22:10.769 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų 1 -0.08050 0.02124 0.12388 2.38917 2 0.33467 0.20793 0.09781 3.24078 3 -0.00209 0.04538 -0.39906 3.23568 4 -0.26775 -0.28754 0.20909 3.12790 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 5.81271 Ω̃ = 6.18083 ΩOD = 5.85009 ΩD = 0.33075 Ω = 11.99354 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 1.199354e+01 3.862838e-01 * time: 0.00022411346435546875 1 1.099050e+01 9.379266e-01 * time: 0.04823803901672363 2 9.574576e+00 7.344031e-01 * time: 0.06249213218688965 3 9.095474e+00 9.231154e-01 * time: 0.07646918296813965 4 8.717606e+00 9.303271e-01 * time: 0.08931517601013184 5 8.371522e+00 3.451400e-01 * time: 0.11031007766723633 6 8.320577e+00 1.606244e-01 * time: 0.12462115287780762 7 8.312495e+00 1.261262e-02 * time: 0.19475817680358887 8 8.312417e+00 1.124924e-03 * time: 0.20830512046813965 9 8.312416e+00 5.503273e-05 * time: 0.21750497817993164 10 8.312416e+00 4.896089e-06 * time: 0.22659707069396973 * Status: success * Candidate solution Final objective value: 8.312416e+00 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 9.22e-06 ≰ 0.0e+00 |x - x'|/|x'| = 1.20e-05 ≰ 0.0e+00 |f(x) - f(x')| = 2.06e-09 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 2.48e-10 ≤ 1.0e-07 |g(x)| = 4.90e-06 ≤ 1.0e-05 * Work counters Seconds run: 0 (vs limit Inf) Iterations: 10 f(x) calls: 24 ∇f(x) calls: 24 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų 1 -0.65935 0.65824 -0.68097 2.39493 2 0.66928 0.69583 0.66681 2.19373 3 0.68249 -0.68385 -0.68373 1.83864 4 -0.70167 -0.65658 0.70375 1.88512 Sum spread: Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD ΩI = 5.81271 Ω̃ = 2.49971 ΩOD = 1.13573 ΩD = 1.36398 Ω = 8.31242 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.chk.fmt" [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/conduction/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.chk.fmt" [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.vmn header = Created by Wannier.jl 2022-06-29T20:01:36.012 n_bands = 8 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/conduction/silicon.vmn header = Created by Wannier.jl 2022-06-29T20:01:36.257 n_bands = 8 n_wann = 4 n_kpts = 64 [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/conduction/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.615 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/conduction/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 ┌ Info: Reading chk file: └ filename = "/home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.chk.fmt" [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/conduction/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 parallel transport [ Info: Filling (kx,0,0) [ Info: Filling (kx,ky,0) [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = -0.020585345157907133 [ Info: Filling (k1,k2,k3) [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = -0.04905915386339951 [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = 0.01064466970628859 initial error = 0.6148 final error = 0.1649 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.ptg.amn header = Created by Wannier.jl 2022-06-30T11:22:10.769 n_bands = 4 n_wann = 4 n_kpts = 64 initial error = 0.6148 final error = 0.1649 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/gaas/gaas.win num_wann = 8 num_bands = 16 mp_grid = 4 4 4 b-vector shell 1 weight = 1.67313 1 0.27333 0.27333 0.27333 2 -0.27333 -0.27333 -0.27333 3 -0.27333 0.27333 0.27333 4 0.27333 -0.27333 -0.27333 5 0.27333 -0.27333 0.27333 6 -0.27333 -0.27333 0.27333 7 -0.27333 0.27333 -0.27333 8 0.27333 0.27333 -0.27333 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/gaas/gaas.mmn header = Created on 23Nov2022 at 12:38:57 n_bands = 16 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/gaas/gaas.amn header = Created on 23Nov2022 at 12:38:53 n_bands = 16 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/gaas/gaas.eig n_bands = 16 n_kpts = 64 parallel transport [ Info: Filling (kx,0,0) [ Info: Filling (kx,ky,0) [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = -0.030811565659446972 [ Info: Filling (k1,k2,k3) [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = -0.062065638859667545 [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path [ Info: Pole chosen by Barycenter of path ┌ Info: Chern number └ m = -0.04111276824246072 initial error = 0.2004 final error = 0.2011 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/gaas/gaas.val.ptg.amn header = Created by WannierIO.jl 2022-11-24T11:55:11.431 n_bands = 4 n_wann = 4 n_kpts = 64 initial error = 0.2004 final error = 0.2011 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.win num_wann = 4 num_bands = 4 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.mmn header = Created by Wannier.jl 2022-06-29T20:01:36.334 n_bands = 4 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.amn header = Created by Wannier.jl 2022-06-29T20:16:32.475 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.eig n_bands = 4 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/valence/silicon.ptg.amn header = Created by Wannier.jl 2022-06-30T11:22:10.769 n_bands = 4 n_wann = 4 n_kpts = 64 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 -0.08050 0.02124 0.12388 2.38917 0.22279 2.61196 2 0.33467 0.20793 0.09781 3.24078 1.64801 4.88879 3 -0.00209 0.04538 -0.39906 3.23568 1.61314 4.84882 4 -0.26775 -0.28754 0.20909 3.12790 1.98090 5.10880 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 17.45838 Ωc = 5.46484 Ω = 11.99354 ΩI = 5.81271 ΩOD = 5.85009 ΩD = 0.33075 Ω̃ = 6.18083 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 1.745838e+01 6.400943e-01 * time: 0.0029799938201904297 1 1.343115e+01 1.194393e-01 * time: 0.022909164428710938 2 1.159248e+01 7.732161e-02 * time: 0.04275107383728027 3 1.099457e+01 2.745559e-02 * time: 0.06299400329589844 4 1.085513e+01 2.275726e-02 * time: 0.12158703804016113 * Status: failure (reached maximum number of iterations) * Candidate solution Final objective value: 1.085513e+01 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 7.13e-02 ≰ 0.0e+00 |x - x'|/|x'| = 7.15e-02 ≰ 0.0e+00 |f(x) - f(x')| = 1.39e-01 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.28e-02 ≰ 1.0e-07 |g(x)| = 2.28e-02 ≰ 1.0e-05 * Work counters Seconds run: 0 (vs limit Inf) Iterations: 4 f(x) calls: 13 ∇f(x) calls: 14 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 -0.00064 0.00068 0.03001 1.97427 0.00901 1.98329 2 -0.01167 -0.00266 -0.04279 2.95907 0.01975 2.97882 3 0.00578 -0.00366 -0.03177 2.95797 0.01056 2.96853 4 0.00550 0.00576 0.04840 2.90044 0.02406 2.92450 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 10.85513 Ωc = 0.06338 Ω = 10.79175 ΩI = 5.81271 ΩOD = 4.91233 ΩD = 0.06671 Ω̃ = 4.97904 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.win num_wann = 8 num_bands = 12 mp_grid = 4 4 4 b-vector shell 1 weight = 1.47595 1 0.29102 -0.29102 0.29102 2 0.29102 0.29102 0.29102 3 -0.29102 -0.29102 -0.29102 4 0.29102 -0.29102 -0.29102 5 -0.29102 0.29102 0.29102 6 0.29102 0.29102 -0.29102 7 -0.29102 0.29102 -0.29102 8 -0.29102 -0.29102 0.29102 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.mmn header = Created on 6Jun2022 at 20:30: 3 n_bands = 12 n_bvecs = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.amn header = Created on 6Jun2022 at 20:30: 1 n_bands = 12 n_wann = 8 n_kpts = 64 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/silicon/silicon.eig n_bands = 12 n_kpts = 64 [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34940 1.34940 1.34940 1.76384 0.00000 1.76384 2 1.34840 1.34882 1.34940 2.44309 0.00001 2.44310 3 1.34940 1.34882 1.34857 2.44730 0.00001 2.44731 4 1.34840 1.34940 1.34856 2.44350 0.00002 2.44352 5 0.00000 -0.00000 0.00000 1.76384 0.00000 1.76384 6 0.00100 0.00059 -0.00000 2.44362 0.00001 2.44363 7 -0.00000 0.00058 0.00083 2.44804 0.00001 2.44805 8 0.00100 0.00000 0.00084 2.44204 0.00002 2.44206 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 18.19534 Ωc = 0.00008 Ω = 18.19526 ΩI = 12.27407 ΩOD = 5.84366 ΩD = 0.07754 Ω̃ = 5.92119 [ Info: Initial spread (with states freezed) WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34940 1.34940 1.34940 2.15987 0.00000 2.15987 2 1.34943 1.34942 1.34940 2.72514 0.00000 2.72514 3 1.34940 1.34941 1.34942 2.72842 0.00000 2.72842 4 1.34943 1.34940 1.34942 2.72862 0.00000 2.72862 5 -0.00000 0.00000 0.00000 2.15987 0.00000 2.15987 6 -0.00003 -0.00001 0.00000 2.72731 0.00000 2.72731 7 -0.00000 -0.00001 -0.00002 2.73156 0.00000 2.73156 8 -0.00003 -0.00000 -0.00002 2.72333 0.00000 2.72333 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 20.68411 Ωc = 0.00000 Ω = 20.68411 ΩI = 13.76138 ΩOD = 6.79229 ΩD = 0.13044 Ω̃ = 6.92273 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 2.068411e+01 5.468860e-01 * time: 0.008480072021484375 1 1.847179e+01 4.551826e-02 * time: 0.06544804573059082 * Status: failure (reached maximum number of iterations) * Candidate solution Final objective value: 1.847179e+01 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 4.12e-01 ≰ 0.0e+00 |x - x'|/|x'| = 4.12e-01 ≰ 0.0e+00 |f(x) - f(x')| = 2.21e+00 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.20e-01 ≰ 1.0e-07 |g(x)| = 4.55e-02 ≰ 1.0e-05 * Work counters Seconds run: 0 (vs limit Inf) Iterations: 1 f(x) calls: 4 ∇f(x) calls: 5 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34944 1.34942 1.34943 1.85007 0.00000 1.85007 2 1.34904 1.34924 1.34938 2.45940 0.00000 2.45941 3 1.34938 1.34928 1.34917 2.46269 0.00000 2.46269 4 1.34907 1.34938 1.34916 2.46384 0.00000 2.46385 5 -0.00004 -0.00001 -0.00002 1.85007 0.00000 1.85007 6 0.00034 0.00013 0.00002 2.46206 0.00000 2.46207 7 0.00003 0.00015 0.00023 2.46649 0.00000 2.46649 8 0.00034 0.00001 0.00023 2.45715 0.00000 2.45716 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 18.47179 Ωc = 0.00001 Ω = 18.47178 ΩI = 11.71825 ΩOD = 6.60586 ΩD = 0.14766 Ω̃ = 6.75353 ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile. --trace-compile is enabled during profile collection. ====================================================================================== cmd: /opt/julia/bin/julia 517 running 1 of 1 signal (10): User defined signal 1 zgemm_kernel_l_ZEN at /opt/julia/bin/../lib/julia/libopenblas64_.so (unknown line) zgemm_cn at /opt/julia/bin/../lib/julia/libopenblas64_.so (unknown line) zgemm_64_ at /opt/julia/bin/../lib/julia/libopenblas64_.so (unknown line) gemm! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/blas.jl:1652 gemm_wrapper! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:905 [inlined] _syrk_herk_gemm_wrapper! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:527 [inlined] generic_matmatmul_wrapper! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:511 _mul! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:333 [inlined] mul! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:302 [inlined] mul! at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:270 [inlined] * at /source/usr/share/julia/stdlib/v1.13/LinearAlgebra/src/matmul.jl:147 [inlined] omega at /home/pkgeval/.julia/packages/Wannier/BPN1x/src/spread.jl:105 omega_center at /home/pkgeval/.julia/packages/Wannier/BPN1x/src/wannierize/constrain_center/max_localize.jl:94 omega_center at /home/pkgeval/.julia/packages/Wannier/BPN1x/src/wannierize/constrain_center/disentangle.jl:28 [inlined] f at /home/pkgeval/.julia/packages/Wannier/BPN1x/src/wannierize/constrain_center/disentangle.jl:91 [inlined] #finite_difference_gradient!#9 at /home/pkgeval/.julia/packages/FiniteDiff/FMCCa/src/gradients.jl:333 finite_difference_gradient! at /home/pkgeval/.julia/packages/FiniteDiff/FMCCa/src/gradients.jl:269 [inlined] gradient! at /home/pkgeval/.julia/packages/DifferentiationInterface/cZ1tI/ext/DifferentiationInterfaceFiniteDiffExt/onearg.jl:315 [inlined] g! at /home/pkgeval/.julia/packages/NLSolversBase/n7XXO/src/objective_types/oncedifferentiable.jl:49 unknown function (ip: 0x7442a809ebfc) at (unknown file) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 gradient!! at /home/pkgeval/.julia/packages/NLSolversBase/n7XXO/src/interface.jl:63 gradient! at /home/pkgeval/.julia/packages/NLSolversBase/n7XXO/src/interface.jl:51 unknown function (ip: 0x7442a819d986) at (unknown file) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_body at /source/src/interpreter.c:581 eval_body at /source/src/interpreter.c:550 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 jl_toplevel_eval_flex at /source/src/toplevel.c:742 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 include_string at ./loading.jl:2954 _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 _include at ./loading.jl:3014 include at ./Base.jl:310 IncludeInto at ./Base.jl:311 jfptr_IncludeInto_68568.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:679 eval_body at /source/src/interpreter.c:550 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 jl_toplevel_eval_flex at /source/src/toplevel.c:742 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 include_string at ./loading.jl:2954 _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 _include at ./loading.jl:3014 include at ./Base.jl:310 IncludeInto at ./Base.jl:311 jfptr_IncludeInto_68568.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:679 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 jl_toplevel_eval_flex at /source/src/toplevel.c:742 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 exec_options at ./client.jl:310 _start at ./client.jl:577 jfptr__start_39417.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] true_main at /source/src/jlapi.c:971 jl_repl_entrypoint at /source/src/jlapi.c:1138 main at /source/cli/loader_exe.c:58 unknown function (ip: 0x7442fb2ab249) at /lib/x86_64-linux-gnu/libc.so.6 __libc_start_main at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) unknown function (ip: 0x4010b8) at /workspace/srcdir/glibc-2.17/csu/../sysdeps/x86_64/start.S unknown function (ip: (nil)) at (unknown file) ============================================================== Profile collected. A report will print at the next yield point. Disabling --trace-compile ============================================================== [ Info: Initial spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile. --trace-compile is enabled during profile collection. ====================================================================================== cmd: /opt/julia/bin/julia 1 running 0 of 1 signal (10): User defined signal 1 epoll_pwait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/linux.c:1404 uv_run at /workspace/srcdir/libuv/src/unix/core.c:430 ijl_task_get_next at /source/src/scheduler.c:457 wait at ./task.jl:1217 wait_forever at ./task.jl:1139 jfptr_wait_forever_55536.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] start_task at /source/src/task.c:1281 unknown function (ip: (nil)) at (unknown file) ============================================================== Profile collected. A report will print at the next yield point. Disabling --trace-compile ============================================================== 1 1.34940 1.34940 1.34940 1.76384 0.00000 1.76384 ┌ Warning: There were no samples collected in one or more groups. │ This may be due to idle threads, or you may need to run your │ program longer (perhaps by running it multiple times), │ or adjust the delay between samples with `Profile.init()`. └ @ Profile /opt/julia/share/julia/stdlib/v1.13/Profile/src/Profile.jl:1362 Overhead ╎ [+additional indent] Count File:Line Function ========================================================= Thread 1 (default) Task 0x0000711ce881cf10 Total snapshots: 374. Utilization: 0% ╎374 @Base/task.jl:1139 wait_forever() 373╎ 374 @Base/task.jl:1217 wait() ┌ Warning: There were no samples collected in one or more groups. │ This may be due to idle threads, or you may need to run your │ program longer (perhaps by running it multiple times), │ or adjust the delay between samples with `Profile.init()`. └ @ Profile /opt/julia/share/julia/stdlib/v1.13/Profile/src/Profile.jl:1362 2 1.34840 1.34882 1.34940 2.44309 0.00001 2.44310 Overhead ╎ [+additional indent] Count File:Line Function ========================================================= Thread 1 (default) Task 0x00007442e11fc010 Total snapshots: 450. Utilization: 100% ╎436 @Base/client.jl:577 _start() ╎ 436 @Base/client.jl:310 exec_options(opts::Base.JLOptions) ╎ 436 @Base/boot.jl:489 eval(m::Module, e::Any) ╎ 436 @Base/Base.jl:311 (::Base.IncludeInto)(fname::String) ╎ 436 @Base/Base.jl:310 include(mapexpr::Function, mod::Module, _path::St… ╎ 436 @Base/loading.jl:3014 _include(mapexpr::Function, mod::Module, _pa… ╎ ╎ 436 @Base/loading.jl:2954 include_string(mapexpr::typeof(identity), m… ╎ ╎ 436 @Base/boot.jl:489 eval(m::Module, e::Any) ╎ ╎ 436 @Base/Base.jl:311 (::Base.IncludeInto)(fname::String) ╎ ╎ 436 @Base/Base.jl:310 include(mapexpr::Function, mod::Module, _pat… ╎ ╎ 436 @Base/loading.jl:3014 _include(mapexpr::Function, mod::Module… ╎ ╎ ╎ 436 @Base/loading.jl:2954 include_string(mapexpr::typeof(identit… ╎ ╎ ╎ 436 @Base/boot.jl:489 eval(m::Module, e::Any) ╎ ╎ ╎ 436 @NLSolversBase/….jl:51 gradient!(obj::OnceDifferentiable{F… ╎ ╎ ╎ 436 @NLSolversBase/…jl:63 gradient!!(obj::OnceDifferentiable{… ╎ ╎ ╎ 436 @NLSolversBase/…jl:49 (::NLSolversBase.var"#g!#OnceDiffe… ╎ ╎ ╎ ╎ 436 @DifferentiationInterface/…:315 gradient! ╎ ╎ ╎ ╎ 436 @FiniteDiff/…s.jl:269 finite_difference_gradient! ╎ ╎ ╎ ╎ 226 @FiniteDiff/….jl:329 finite_difference_gradient!(df::… ╎ ╎ ╎ ╎ 11 @Wannier/…gle.jl:90 f ╎ ╎ ╎ ╎ 3 @Wannier/…gle.jl:437 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 3 @Base/array.jl:622 zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:626 zeros(::Type{ComplexF64}, dims… ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:663 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:655 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:605 new_as_memoryref 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 2 @Base/array.jl:627 zeros(::Type{ComplexF64}, dims… ╎ ╎ ╎ ╎ ╎ 2 @Base/array.jl:359 fill! ╎ ╎ ╎ ╎ ╎ 2 @Base/array.jl:363 _fill! ╎ ╎ ╎ ╎ ╎ 2 @Base/…ray.jl:1020 setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ray.jl:1025 _setindex! ╎ ╎ ╎ ╎ 7 @Wannier/…gle.jl:443 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 7 @Base/…array.jl:1360 getindex ╎ ╎ ╎ ╎ ╎ 7 @Base/…ional.jl:984 _getindex ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:996 _unsafe_getindex ╎ ╎ ╎ ╎ ╎ 3 @Base/…rray.jl:825 similar ╎ ╎ ╎ ╎ ╎ 3 @Base/…rray.jl:836 similar ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ray.jl:407 similar ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/boot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ot.jl:648 Array 3╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 4 @Base/…onal.jl:998 _unsafe_getindex ╎ ╎ ╎ ╎ ╎ 4 @Base/…onal.jl:1007 _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…nal.jl:1009 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:963 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1024 _setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ 1 @Base/…sian.jl:67 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ces.jl:399 iterate ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…nge.jl:925 iterate 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ 1 @Wannier/…gle.jl:444 XY_to_X_Y(XY::Matrix{ComplexF6… 1╎ ╎ ╎ ╎ ╎ 1 @Base/…darray.jl:50 reshape ╎ ╎ ╎ ╎ 215 @Wannier/…gle.jl:91 f ╎ ╎ ╎ ╎ 20 @Wannier/…gle.jl:27 omega_center ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…le.jl:352 X_Y_to_U(X::Array{ComplexF64, … ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:622 zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:627 zeros(::Type{ComplexF64}, dim… ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:359 fill! ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:363 _fill! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ 19 @Wannier/…le.jl:365 X_Y_to_U(X::Array{ComplexF64, … ╎ ╎ ╎ ╎ ╎ 7 @Base/…rray.jl:1360 getindex ╎ ╎ ╎ ╎ ╎ 7 @Base/…onal.jl:984 _getindex ╎ ╎ ╎ ╎ ╎ 2 @Base/…onal.jl:996 _unsafe_getindex(::IndexLine… ╎ ╎ ╎ ╎ ╎ 2 @Base/…rray.jl:825 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ray.jl:836 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ray.jl:407 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:662 Array 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:652 Array ╎ ╎ ╎ ╎ ╎ 5 @Base/…onal.jl:998 _unsafe_getindex(::IndexLine… ╎ ╎ ╎ ╎ ╎ 5 @Base/…nal.jl:1017 _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…nal.jl:1007 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…al.jl:1009 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:962 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:963 getindex ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:964 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:385 checkbounds 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:381 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:11 length ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:651 prod ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…rs.jl:650 * 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:88 * ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ian.jl:67 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…es.jl:399 iterate ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:925 iterate 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ 3 @Base/…rray.jl:1461 setindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1057 _unsafe_setindex!(::IndexLi… ╎ ╎ ╎ ╎ ╎ 3 @Base/…nal.jl:1048 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…al.jl:1050 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1031 setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1037 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ 9 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:662 Array 1╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:302 mul! ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:333 _mul! ╎ ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:511 generic_matmatmul_wrappe… ╎ ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:531 _syrk_herk_gemm_wrapper! ╎ ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:905 gemm_wrapper! 8╎ ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:1652 gemm!(transA::Char, … ╎ ╎ ╎ ╎ 195 @Wannier/…gle.jl:28 omega_center ╎ ╎ ╎ ╎ ╎ 195 @Wannier/…ize.jl:94 omega_center(bvectors::Wannier… ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:93 omega(bvectors::Wannier.BVecto… ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:622 zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:627 zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:359 fill! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:363 _fill! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ 53 @Wannier/…ad.jl:101 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:901 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:904 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:987 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:318 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:311 _copyto2arg! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:291 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:300 _copyto_impl! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ry.jl:118 unsafe_copyto! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…em.jl:28 memmove ╎ ╎ ╎ ╎ ╎ 52 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 9 @Base/…rray.jl:67 similar ╎ ╎ ╎ ╎ ╎ 9 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/boot.jl:662 Array 2╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:605 new_as_memoryref 7╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 43 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 43 @LinearAlgebra/…:302 mul! ╎ ╎ ╎ ╎ ╎ ╎ 43 @LinearAlgebra/…:333 _mul! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:0 generic_matmatmul_wrapper!(C… ╎ ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:506 generic_matmatmul_wrapp… ╎ ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:957 lapack_size ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:44 size ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:65 size 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…le.jl:353 map ╎ ╎ ╎ ╎ ╎ ╎ 40 @LinearAlgebra/…:511 generic_matmatmul_wrapp… ╎ ╎ ╎ ╎ ╎ ╎ 40 @LinearAlgebra/…:531 _syrk_herk_gemm_wrappe… 1╎ ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:893 gemm_wrapper! 1╎ ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:894 gemm_wrapper! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:488 matmul2x2or3x3_nonze… ╎ ╎ ╎ ╎ ╎ ╎ 37 @LinearAlgebra/…:905 gemm_wrapper! ╎ ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:1646 gemm!(transA::Char,… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…rs.jl:320 != 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == 36╎ ╎ ╎ ╎ ╎ ╎ 36 @LinearAlgebra/…:1652 gemm!(transA::Char,… ╎ ╎ ╎ ╎ ╎ 37 @Wannier/…ad.jl:105 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:901 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:904 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:987 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:318 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:311 _copyto2arg! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:291 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:298 _copyto_impl! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:596 memoryref ╎ ╎ ╎ ╎ ╎ 36 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 15 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ 15 @Base/boot.jl:662 Array 11╎ ╎ ╎ ╎ ╎ ╎ 15 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/boot.jl:605 new_as_memoryref 4╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 21 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 21 @LinearAlgebra/…:302 mul! ╎ ╎ ╎ ╎ ╎ ╎ 21 @LinearAlgebra/…:333 _mul! ╎ ╎ ╎ ╎ ╎ ╎ 21 @LinearAlgebra/…:511 generic_matmatmul_wrapp… ╎ ╎ ╎ ╎ ╎ ╎ 21 @LinearAlgebra/…:527 _syrk_herk_gemm_wrappe… ╎ ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:894 gemm_wrapper! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:0 matmul2x2or3x3_nonzeroalph… ╎ ╎ ╎ ╎ ╎ ╎ 20 @LinearAlgebra/…:905 gemm_wrapper! 20╎ ╎ ╎ ╎ ╎ ╎ 20 @LinearAlgebra/…:1652 gemm!(transA::Char,… ╎ ╎ ╎ ╎ ╎ 7 @Wannier/…ad.jl:106 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ymath.jl:8 +(A::SubArray{Float64, 1, Matr… ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:990 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:973 preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:976 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:977 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:974 preprocess ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:967 broadcast_unalias 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1548 unalias 1╎ ╎ ╎ ╎ ╎ 1 @Base/…ymath.jl:6 -(A::Vector{Float64}, B::SubAr… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ymath.jl:7 -(A::Vector{Float64}, B::SubAr… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ices.jl:188 promote_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:102 axes 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ials.jl:10 size ╎ ╎ ╎ ╎ ╎ 4 @Base/…ymath.jl:8 -(A::Vector{Float64}, B::SubAr… ╎ ╎ ╎ ╎ ╎ 3 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 3 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ast.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:648 Array 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:588 GenericMemory 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:649 Array 1╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:883 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 2 @Wannier/…ad.jl:108 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 2 @Base/views.jl:237 maybeview 2╎ ╎ ╎ ╎ ╎ 2 @Base/…ials.jl:965 getindex ╎ ╎ ╎ ╎ ╎ 2 @Wannier/…ad.jl:110 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 2 @Base/…edim.jl:984 sum ╎ ╎ ╎ ╎ ╎ 2 @Base/…edim.jl:984 #sum#727 ╎ ╎ ╎ ╎ ╎ 2 @Base/…edim.jl:988 _sum ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…dim.jl:988 #_sum#729 ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…dim.jl:330 mapreduce ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…im.jl:330 #mapreduce#719 ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…im.jl:338 _mapreduce_dim ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ce.jl:446 _mapreduce(f::typeof(abs… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ce.jl:275 mapreduce_impl ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:253 mapreduce_impl(f::type… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:261 mapreduce_impl(f::type… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:262 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ 36 @Wannier/…ad.jl:111 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 18 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ 18 @Base/…cast.jl:918 copy ╎ ╎ ╎ ╎ ╎ 18 @Base/…cast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 18 @Base/…ast.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 17 @Base/…oop.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 17 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 11 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ 11 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 11 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 11 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…al.jl:772 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ay.jl:963 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1395 _to_linear_index ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3070 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3086 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3102 _sub2ind_recur… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3102 _sub2ind_recu… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Base/int.jl:88 * ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:385 checkbounds 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:381 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:11 length ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:651 prod 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Base/int.jl:88 * 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:695 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…al.jl:772 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:962 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ay.jl:963 getindex 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…al.jl:774 setindex! ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…ay.jl:1031 setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1036 _setindex! 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:684 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:728 checkbounds_indices ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:757 checkindex 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/int.jl:559 < 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1037 _setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…oop.jl:84 macro expansion ╎ ╎ ╎ ╎ ╎ 4 @Base/…edim.jl:984 sum ╎ ╎ ╎ ╎ ╎ 4 @Base/…edim.jl:984 #sum#727 ╎ ╎ ╎ ╎ ╎ 4 @Base/…edim.jl:988 _sum ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…dim.jl:988 #_sum#729 ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…dim.jl:330 mapreduce ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…im.jl:330 #mapreduce#719 ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…im.jl:338 _mapreduce_dim ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ce.jl:446 _mapreduce(f::typeof(abs… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ce.jl:275 mapreduce_impl 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:251 mapreduce_impl(f::type… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:253 mapreduce_impl(f::type… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ce.jl:261 mapreduce_impl(f::type… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:262 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:263 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ex.jl:278 abs2 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…at.jl:492 + ╎ ╎ ╎ ╎ ╎ 4 @LinearAlgebra/…:310 diag ╎ ╎ ╎ ╎ ╎ 4 @LinearAlgebra/…:310 diag ╎ ╎ ╎ ╎ ╎ 3 @Base/array.jl:992 getindex(A::Matrix{ComplexF… ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ray.jl:704 _array_for ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:701 _array_for ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:648 Array 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:689 _similar_shape ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:102 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:692 size ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:815 length 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:182 flipsign ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…als.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…als.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:284 diagind 1╎ ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:241 diagind(::IndexLinear, m… ╎ ╎ ╎ ╎ ╎ 10 @LinearAlgebra/…:384 diagm 1╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:386 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:387 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:411 diagm_container ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ray.jl:622 zeros ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:626 zeros ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:662 Array ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:605 new_as_memoryref 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ray.jl:627 zeros ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:359 fill! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:363 _fill! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1020 setindex! 4╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:389 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:283 diagind ╎ ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:284 diagind ╎ ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:241 diagind(::IndexLinear, … 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:87 + ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:157 range ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:157 #range#29 ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:178 _range ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:226 range_start_step_length ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:338 StepRange ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:369 steprange_last 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:342 rem ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:391 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:1025 _setindex! 1╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:241 diagind(::IndexLinear, m::… ╎ ╎ ╎ ╎ ╎ 11 @Wannier/…ad.jl:114 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 11 @Wannier/…lg.jl:11 imaglog ╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:0 atan 1╎ ╎ ╎ ╎ ╎ 1 @Base/float.jl:723 isinf 1╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:597 atan ╎ ╎ ╎ ╎ ╎ 9 @Base/…trig.jl:647 atan ╎ ╎ ╎ ╎ ╎ 4 @Base/…trig.jl:529 atan(x::Float64) ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…rig.jl:501 atan_pq ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…rig.jl:489 atan_q ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/math.jl:94 evalpoly ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…th.jl:95 macro expansion 4╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…at.jl:497 muladd ╎ ╎ ╎ ╎ ╎ 2 @Base/…trig.jl:530 atan(x::Float64) 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…oat.jl:492 + 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…oat.jl:493 - ╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:547 atan(x::Float64) 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…oat.jl:494 * ╎ ╎ ╎ ╎ ╎ 2 @Base/…trig.jl:551 atan(x::Float64) 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…oat.jl:495 / 2╎ ╎ ╎ ╎ ╎ 43 @Wannier/…ad.jl:116 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 8 @Base/…rray.jl:1461 setindex! ╎ ╎ ╎ ╎ ╎ 8 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 1 @Base/…nal.jl:1042 _unsafe_setindex!(::IndexLi… ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1585 mightalias ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1610 dataids ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1609 dataids 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:1019 UInt64 ╎ ╎ ╎ ╎ ╎ 7 @Base/…nal.jl:1048 _unsafe_setindex!(::IndexLi… 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…sian.jl:0 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…sian.jl:65 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…al.jl:1050 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ls.jl:964 getindex 4╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ls.jl:385 checkbounds 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…sian.jl:67 macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/…math.jl:7 -(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ices.jl:188 promote_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:519 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:524 _indices_sub ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ces.jl:388 axes ╎ ╎ ╎ ╎ ╎ 18 @Base/…math.jl:8 -(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 16 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 16 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 16 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:990 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:973 preprocess ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:976 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:974 preprocess ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:967 broadcast_unalias 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:977 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:974 preprocess ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…st.jl:967 broadcast_unalias 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1585 mightalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1256 isempty 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:665 extrude ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:604 newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:605 shapeindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:610 _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…rs.jl:320 != 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…op.jl:77 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:695 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:664 _broadcast_getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ast.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ot.jl:648 Array 5╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ot.jl:588 GenericMemory 4╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ot.jl:649 Array 1╎ ╎ ╎ ╎ ╎ 2 @Base/…cast.jl:883 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:238 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:240 _axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:501 combine_axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:520 broadcast_shape ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:526 _bcs ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:532 _bcs1 ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:534 _bcsm ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:1142 == 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ 14 @Base/…tors.jl:650 * ╎ ╎ ╎ ╎ ╎ 14 @Base/…math.jl:21 *(A::Float64, B::Vector{Float… ╎ ╎ ╎ ╎ ╎ 14 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ ╎ 14 @Base/…ast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 14 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:993 copyto! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:0 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…st.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:648 Array 7╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:588 GenericMemory 6╎ ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…ot.jl:649 Array ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:118 omega(bvectors::Wannier.BVect… 1╎ ╎ ╎ ╎ ╎ 1 @Base/float.jl:492 + ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:124 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ymath.jl:24 /(A::Matrix{Float64}, B::Int6… ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:77 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:0 macro expansion 1╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:241 diagind(::IndexLinear, m::In… ╎ ╎ ╎ ╎ 210 @FiniteDiff/….jl:333 finite_difference_gradient!(df::… ╎ ╎ ╎ ╎ 18 @Wannier/…gle.jl:90 f ╎ ╎ ╎ ╎ 1 @Wannier/…gle.jl:437 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:622 zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:626 zeros(::Type{ComplexF64}, dims… ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:663 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:655 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:605 new_as_memoryref 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:588 GenericMemory ╎ ╎ ╎ ╎ 6 @Wannier/…gle.jl:443 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 6 @Base/…array.jl:1360 getindex ╎ ╎ ╎ ╎ ╎ 6 @Base/…ional.jl:984 _getindex ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:996 _unsafe_getindex ╎ ╎ ╎ ╎ ╎ 3 @Base/…rray.jl:825 similar ╎ ╎ ╎ ╎ ╎ 3 @Base/…rray.jl:836 similar ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ray.jl:407 similar ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/boot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ot.jl:648 Array 3╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:998 _unsafe_getindex ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1007 _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…nal.jl:1009 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ay.jl:1020 setindex! 3╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ 7 @Wannier/…gle.jl:444 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 7 @Base/…array.jl:1461 setindex! ╎ ╎ ╎ ╎ ╎ 7 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 7 @Base/…onal.jl:1057 _unsafe_setindex!(::IndexLin… ╎ ╎ ╎ ╎ ╎ 1 @Base/…onal.jl:1045 macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/…ices.jl:229 setindex_shape_check(::Matr… 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:83 < ╎ ╎ ╎ ╎ ╎ 6 @Base/…onal.jl:1048 macro expansion ╎ ╎ ╎ ╎ ╎ 6 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…nal.jl:1050 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1031 setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1036 _setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:702 checkbounds 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1037 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:381 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:11 length ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:651 prod 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:88 * ╎ ╎ ╎ ╎ 4 @Wannier/…gle.jl:445 XY_to_X_Y(XY::Matrix{ComplexF6… ╎ ╎ ╎ ╎ ╎ 3 @Base/…array.jl:1461 setindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1057 _unsafe_setindex!(::IndexLin… ╎ ╎ ╎ ╎ ╎ 3 @Base/…onal.jl:1048 macro expansion ╎ ╎ ╎ ╎ ╎ 3 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…nal.jl:1050 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1031 setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1036 _setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:684 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:728 checkbounds_indices ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:757 checkindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:559 < ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:964 getindex ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:381 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:11 length ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:651 prod 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:88 * 1╎ ╎ ╎ ╎ ╎ 1 @Base/…array.jl:50 reshape ╎ ╎ ╎ ╎ 192 @Wannier/…gle.jl:91 f ╎ ╎ ╎ ╎ 21 @Wannier/…gle.jl:27 omega_center 1╎ ╎ ╎ ╎ ╎ 1 @Base/…ional.jl:993 _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 20 @Wannier/…le.jl:365 X_Y_to_U(X::Array{ComplexF64, … ╎ ╎ ╎ ╎ ╎ 10 @Base/…rray.jl:1360 getindex ╎ ╎ ╎ ╎ ╎ 10 @Base/…onal.jl:984 _getindex ╎ ╎ ╎ ╎ ╎ 10 @Base/…onal.jl:998 _unsafe_getindex(::IndexLine… ╎ ╎ ╎ ╎ ╎ 10 @Base/…nal.jl:1017 _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ ╎ 10 @Base/…nal.jl:1007 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…ian.jl:65 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…al.jl:1009 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:962 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:0 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…ay.jl:963 getindex ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:385 checkbounds 5╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ian.jl:67 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…es.jl:399 iterate ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ge.jl:925 iterate 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ 2 @Base/…rray.jl:1461 setindex! ╎ ╎ ╎ ╎ ╎ 2 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 2 @Base/…onal.jl:1057 _unsafe_setindex!(::IndexLi… ╎ ╎ ╎ ╎ ╎ 2 @Base/…nal.jl:1048 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…sian.jl:65 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…al.jl:1050 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1031 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1037 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ 8 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 3 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ 3 @Base/boot.jl:662 Array 3╎ ╎ ╎ ╎ ╎ 3 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:302 mul! ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:333 _mul! ╎ ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:511 generic_matmatmul_wrappe… ╎ ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:531 _syrk_herk_gemm_wrapper! ╎ ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:905 gemm_wrapper! 5╎ ╎ ╎ ╎ ╎ ╎ 5 @LinearAlgebra/…:1652 gemm!(transA::Char, … ╎ ╎ ╎ ╎ 171 @Wannier/…gle.jl:28 omega_center ╎ ╎ ╎ ╎ ╎ 171 @Wannier/…ize.jl:94 omega_center(bvectors::Wannier… 1╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:0 omega(bvectors::Wannier.BVector… ╎ ╎ ╎ ╎ ╎ 38 @Wannier/…ad.jl:101 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:901 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:904 materialize! ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:987 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:318 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:311 _copyto2arg! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:291 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:298 _copyto_impl! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:596 memoryref ╎ ╎ ╎ ╎ ╎ 37 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 2 @Base/…rray.jl:67 similar ╎ ╎ ╎ ╎ ╎ 2 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:662 Array ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:605 new_as_memoryref 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 35 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 35 @LinearAlgebra/…:302 mul! ╎ ╎ ╎ ╎ ╎ ╎ 35 @LinearAlgebra/…:333 _mul! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:0 generic_matmatmul_wrapper!(C… ╎ ╎ ╎ ╎ ╎ ╎ 34 @LinearAlgebra/…:511 generic_matmatmul_wrapp… ╎ ╎ ╎ ╎ ╎ ╎ 34 @LinearAlgebra/…:531 _syrk_herk_gemm_wrappe… ╎ ╎ ╎ ╎ ╎ ╎ 34 @LinearAlgebra/…:905 gemm_wrapper! 34╎ ╎ ╎ ╎ ╎ ╎ 34 @LinearAlgebra/…:1652 gemm!(transA::Char,… ╎ ╎ ╎ ╎ ╎ 33 @Wannier/…ad.jl:105 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 33 @LinearAlgebra/…:147 * ╎ ╎ ╎ ╎ ╎ 13 @Base/array.jl:407 similar ╎ ╎ ╎ ╎ ╎ 13 @Base/boot.jl:662 Array 9╎ ╎ ╎ ╎ ╎ ╎ 13 @Base/boot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/boot.jl:605 new_as_memoryref 4╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 20 @LinearAlgebra/…:270 mul! ╎ ╎ ╎ ╎ ╎ 20 @LinearAlgebra/…:302 mul! 1╎ ╎ ╎ ╎ ╎ ╎ 20 @LinearAlgebra/…:333 _mul! ╎ ╎ ╎ ╎ ╎ ╎ 19 @LinearAlgebra/…:511 generic_matmatmul_wrapp… ╎ ╎ ╎ ╎ ╎ ╎ 19 @LinearAlgebra/…:527 _syrk_herk_gemm_wrappe… ╎ ╎ ╎ ╎ ╎ ╎ 19 @LinearAlgebra/…:905 gemm_wrapper! 19╎ ╎ ╎ ╎ ╎ ╎ 19 @LinearAlgebra/…:1652 gemm!(transA::Char,… ╎ ╎ ╎ ╎ ╎ 7 @Wannier/…ad.jl:106 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/…math.jl:7 +(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ices.jl:188 promote_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:519 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:524 _indices_sub 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ces.jl:388 axes ╎ ╎ ╎ ╎ ╎ 4 @Base/…math.jl:8 +(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 4 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 4 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:990 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:973 preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:976 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:977 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:974 preprocess ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:967 broadcast_unalias 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…st.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:341 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:661 Array 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:649 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/…math.jl:8 -(A::Vector{Float64}, B::SubArr… 1╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:883 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 1 @Base/views.jl:236 maybeview ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:218 view ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:251 unsafe_view ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:28 SubArray ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:38 SubArray 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:22 SubArray ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:108 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/views.jl:237 maybeview ╎ ╎ ╎ ╎ ╎ 1 @Base/…ials.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ 1 @Base/…ials.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ 3 @Wannier/…ad.jl:110 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 3 @Base/…edim.jl:984 sum ╎ ╎ ╎ ╎ ╎ 3 @Base/…edim.jl:984 #sum#727 ╎ ╎ ╎ ╎ ╎ 3 @Base/…edim.jl:988 _sum ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…dim.jl:988 #_sum#729 ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…dim.jl:330 mapreduce ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…im.jl:330 #mapreduce#719 ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…im.jl:338 _mapreduce_dim ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ce.jl:446 _mapreduce(f::typeof(abs… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ce.jl:275 mapreduce_impl ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ce.jl:261 mapreduce_impl(f::type… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…op.jl:75 macro expansion 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/int.jl:83 < ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:262 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ 34 @Wannier/…ad.jl:111 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 19 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ 19 @Base/…cast.jl:918 copy ╎ ╎ ╎ ╎ ╎ 19 @Base/…cast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:990 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:973 preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:976 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:977 preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:974 preprocess ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:967 broadcast_unalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1585 mightalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1256 isempty ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:11 length ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…le.jl:651 prod 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:88 * ╎ ╎ ╎ ╎ ╎ ╎ 18 @Base/…ast.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 18 @Base/…oop.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 18 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 10 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ 10 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 10 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 10 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…al.jl:772 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:962 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:963 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1395 _to_linear_index ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3070 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3086 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3102 _sub2ind_recur… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3102 _sub2ind_recu… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Base/int.jl:88 * 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…st.jl:695 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…al.jl:772 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ay.jl:963 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1395 _to_linear_index ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3070 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3086 _sub2ind ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:3102 _sub2ind_recu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Base/…ay.jl:3102 _sub2ind_recu… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Base/int.jl:87 + ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:964 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:385 checkbounds 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…al.jl:774 setindex! ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…ay.jl:1031 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:0 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1036 _setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:684 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:728 checkbounds_indices ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:757 checkindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:559 < 5╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ay.jl:1037 _setindex! ╎ ╎ ╎ ╎ ╎ 5 @Base/…edim.jl:984 sum ╎ ╎ ╎ ╎ ╎ 5 @Base/…edim.jl:984 #sum#727 ╎ ╎ ╎ ╎ ╎ 5 @Base/…edim.jl:988 _sum ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…dim.jl:988 #_sum#729 ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…dim.jl:330 mapreduce ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…im.jl:330 #mapreduce#719 ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…im.jl:338 _mapreduce_dim ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ce.jl:446 _mapreduce(f::typeof(abs… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ce.jl:275 mapreduce_impl ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ce.jl:261 mapreduce_impl(f::type… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…op.jl:75 macro expansion 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/int.jl:83 < ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:262 macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ce.jl:263 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ex.jl:278 abs2 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…at.jl:492 + ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ce.jl:19 add_sum 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…at.jl:492 + ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:310 diag ╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:310 diag ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:992 getindex(A::Matrix{ComplexF… ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:704 _array_for ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:701 _array_for ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:648 Array 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:588 GenericMemory ╎ ╎ ╎ ╎ ╎ 9 @LinearAlgebra/…:384 diagm ╎ ╎ ╎ ╎ ╎ 6 @LinearAlgebra/…:387 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 6 @LinearAlgebra/…:411 diagm_container ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…ray.jl:622 zeros ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:626 zeros ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:662 Array 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:652 Array ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ray.jl:627 zeros ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ay.jl:359 fill! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:363 _fill! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1020 setindex! 4╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:364 _fill! ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ge.jl:925 iterate 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ 2 @LinearAlgebra/…:391 _diagm(size::Nothing, kv::… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ials.jl:964 getindex ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…als.jl:385 checkbounds 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…als.jl:381 checkbounds 1╎ ╎ ╎ ╎ ╎ 1 @Base/…ials.jl:965 getindex 1╎ ╎ ╎ ╎ ╎ 1 @LinearAlgebra/…:241 diagind(::IndexLinear, m::… ╎ ╎ ╎ ╎ ╎ 8 @Wannier/…ad.jl:114 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 8 @Wannier/…lg.jl:11 imaglog ╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:595 atan ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:1056 * ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:592 rem ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…mber.jl:7 convert ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:1008 Int64 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:935 toInt64 ╎ ╎ ╎ ╎ ╎ 7 @Base/…trig.jl:647 atan 1╎ ╎ ╎ ╎ ╎ 1 @Base/float.jl:698 abs ╎ ╎ ╎ ╎ ╎ 2 @Base/…trig.jl:520 atan(x::Float64) 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…oat.jl:698 abs ╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:530 atan(x::Float64) 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…oat.jl:492 + ╎ ╎ ╎ ╎ ╎ 2 @Base/…trig.jl:556 atan(x::Float64) 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…oat.jl:493 - ╎ ╎ ╎ ╎ ╎ 1 @Base/…trig.jl:557 atan(x::Float64) 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…uncs.jl:5 copysign ╎ ╎ ╎ ╎ ╎ 43 @Wannier/…ad.jl:116 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 9 @Base/…rray.jl:1461 setindex! 1╎ ╎ ╎ ╎ ╎ 9 @Base/…onal.jl:1036 _setindex! ╎ ╎ ╎ ╎ ╎ 1 @Base/…nal.jl:1042 _unsafe_setindex!(::IndexLi… ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:1548 unalias ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1585 mightalias ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1610 dataids ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:1609 dataids 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ot.jl:1019 UInt64 ╎ ╎ ╎ ╎ ╎ 7 @Base/…nal.jl:1048 _unsafe_setindex!(::IndexLi… 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…sian.jl:0 macro expansion 5╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…sian.jl:67 macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/…math.jl:7 -(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 1 @Base/…ices.jl:188 promote_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:519 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ray.jl:524 _indices_sub 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ces.jl:388 axes ╎ ╎ ╎ ╎ ╎ 16 @Base/…math.jl:8 -(A::SubArray{Float64, 1, Matri… ╎ ╎ ╎ ╎ ╎ 15 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 15 @Base/…cast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 15 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…ast.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…st.jl:993 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…op.jl:77 macro expansion 2╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 6 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:664 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:340 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:341 getindex 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:695 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:664 _broadcast_getindex 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ast.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 7 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ot.jl:648 Array 5╎ ╎ ╎ ╎ ╎ ╎ ╎ 5 @Base/…ot.jl:588 GenericMemory 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ot.jl:649 Array ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:883 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:238 axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:240 _axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ast.jl:501 combine_axes ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:520 broadcast_shape ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:526 _bcs 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:532 _bcs1 ╎ ╎ ╎ ╎ ╎ 17 @Base/…tors.jl:650 * ╎ ╎ ╎ ╎ ╎ 17 @Base/…math.jl:21 *(A::Float64, B::Vector{Float… ╎ ╎ ╎ ╎ ╎ 16 @Base/…cast.jl:882 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ ╎ 16 @Base/…ast.jl:893 materialize ╎ ╎ ╎ ╎ ╎ ╎ 16 @Base/…ast.jl:918 copy ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:946 copyto! ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…st.jl:993 copyto! 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…op.jl:0 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…op.jl:77 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/…st.jl:994 macro expansion ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1020 setindex! 2╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/…ay.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:615 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:619 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:670 _broadcast_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:694 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:695 _getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…st.jl:664 _broadcast_getind… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ls.jl:965 getindex ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…st.jl:227 similar ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…st.jl:228 similar ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ay.jl:876 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ay.jl:409 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ay.jl:877 similar ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ot.jl:669 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ot.jl:661 Array ╎ ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…ot.jl:648 Array 8╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 8 @Base/…ot.jl:588 GenericMemory 4╎ ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/…ot.jl:649 Array 1╎ ╎ ╎ ╎ ╎ 1 @Base/…cast.jl:883 broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 2 @Wannier/…ad.jl:118 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:1020 setindex! 1╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:1025 _setindex! ╎ ╎ ╎ ╎ ╎ 1 @Base/views.jl:237 maybeview ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:962 getindex 1╎ ╎ ╎ ╎ ╎ 1 @Base/…rray.jl:702 checkbounds ╎ ╎ ╎ ╎ ╎ 1 @Wannier/…ad.jl:120 omega(bvectors::Wannier.BVect… ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:925 iterate 1╎ ╎ ╎ ╎ ╎ 1 @Base/…tion.jl:637 == 3 1.34940 1.34882 1.34857 2.44730 0.00001 2.44731 4 1.34840 1.34940 1.34856 2.44350 0.00002 2.44352 5 0.00000 -0.00000 0.00000 1.76384 0.00000 1.76384 6 0.00100 0.00059 -0.00000 2.44362 0.00001 2.44363 7 -0.00000 0.00058 0.00083 2.44804 0.00001 2.44805 8 0.00100 0.00000 0.00084 2.44204 0.00002 2.44206 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 18.19534 Ωc = 0.00008 Ω = 18.19526 ΩI = 12.27407 ΩOD = 5.84366 ΩD = 0.07754 Ω̃ = 5.92119 [ Info: Initial spread (with states freezed) WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34940 1.34940 1.34940 2.15987 0.00000 2.15987 2 1.34943 1.34942 1.34940 2.72514 0.00000 2.72514 3 1.34940 1.34941 1.34942 2.72842 0.00000 2.72842 4 1.34943 1.34940 1.34942 2.72862 0.00000 2.72862 5 -0.00000 0.00000 0.00000 2.15987 0.00000 2.15987 6 -0.00003 -0.00001 0.00000 2.72731 0.00000 2.72731 7 -0.00000 -0.00001 -0.00002 2.73156 0.00000 2.73156 8 -0.00003 -0.00000 -0.00002 2.72333 0.00000 2.72333 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 20.68411 Ωc = 0.00000 Ω = 20.68411 ΩI = 13.76138 ΩOD = 6.79229 ΩD = 0.13044 Ω̃ = 6.92273 ┌ Warning: f_tol is deprecated. Use f_abstol or f_reltol instead. The provided value (1.0e-7) will be used as f_reltol. └ @ Optim ~/.julia/packages/Optim/7krni/src/types.jl:120 Iter Function value Gradient norm 0 2.068411e+01 5.468860e-01 * time: 0.010010004043579102 1 1.847179e+01 4.551826e-02 * time: 0.07861495018005371 2 1.821799e+01 1.470647e-02 * time: 0.1721971035003662 3 1.815904e+01 1.266651e-02 * time: 0.2273240089416504 4 1.813026e+01 9.146757e-03 * time: 0.3000810146331787 * Status: failure (reached maximum number of iterations) * Candidate solution Final objective value: 1.813026e+01 * Found with Algorithm: L-BFGS * Convergence measures |x - x'| = 2.15e-02 ≰ 0.0e+00 |x - x'|/|x'| = 2.15e-02 ≰ 0.0e+00 |f(x) - f(x')| = 2.88e-02 ≰ 0.0e+00 |f(x) - f(x')|/|f(x')| = 1.59e-03 ≰ 1.0e-07 |g(x)| = 9.15e-03 ≰ 1.0e-05 * Work counters Seconds run: 0 (vs limit Inf) Iterations: 4 f(x) calls: 12 ∇f(x) calls: 13 [ Info: Final spread WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34932 1.34936 1.34935 1.67205 0.00000 1.67205 2 1.34875 1.34913 1.34934 2.46042 0.00000 2.46042 3 1.34932 1.34916 1.34897 2.46694 0.00000 2.46695 4 1.34879 1.34936 1.34895 2.46574 0.00001 2.46574 5 0.00008 0.00003 0.00006 1.67206 0.00000 1.67206 6 0.00063 0.00024 0.00006 2.46376 0.00000 2.46377 7 0.00008 0.00026 0.00043 2.47182 0.00000 2.47182 8 0.00062 0.00004 0.00043 2.45744 0.00001 2.45745 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 18.13026 Ωc = 0.00003 Ω = 18.13023 ΩI = 11.67270 ΩOD = 6.34122 ΩD = 0.11631 Ω̃ = 6.45754 WF center [rx, ry, rz]/Å spread/Ų ω ωc ωt 1 1.34932 1.34936 1.34935 1.67205 0.00000 1.67205 2 1.34875 1.34913 1.34934 2.46042 0.00000 2.46042 3 1.34932 1.34916 1.34897 2.46694 0.00000 2.46695 4 1.34879 1.34936 1.34895 2.46574 0.00001 2.46574 5 0.00008 0.00003 0.00006 1.67206 0.00000 1.67206 6 0.00063 0.00024 0.00006 2.46376 0.00000 2.46377 7 0.00008 0.00026 0.00043 2.47182 0.00000 2.47182 8 0.00062 0.00004 0.00043 2.45744 0.00001 2.45745 Sum spread: Ωt = Ω + Ωc, Ω = ΩI + Ω̃, Ω̃ = ΩOD + ΩD Ωt = 18.13026 Ωc = 0.00003 Ω = 18.13023 ΩI = 11.67270 ΩOD = 6.34122 ΩD = 0.11631 Ω̃ = 6.45754 [ Info: Reading win file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene_unk/graphene.win num_wann = 5 num_bands = 10 mp_grid = 2 2 1 b-vector shell 1 weight = 1.26651 1 0.00000 0.00000 -0.62832 2 0.00000 0.00000 0.62832 b-vector shell 2 weight = 0.15329 1 0.73732 -1.27707 0.00000 2 0.73732 1.27707 0.00000 3 -0.73732 1.27707 0.00000 4 -0.73732 -1.27707 0.00000 5 1.47463 0.00000 0.00000 6 -1.47463 0.00000 0.00000 Finite difference condition satisfied [ Info: Reading mmn file: /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene_unk/graphene.mmn header = Created on 1Sep2022 at 13: 0:43 n_bands = 10 n_bvecs = 8 n_kpts = 4 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene_unk/graphene.amn header = Created on 1Sep2022 at 13: 0:43 n_bands = 10 n_wann = 5 n_kpts = 4 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene_unk/graphene.eig n_bands = 10 n_kpts = 4 [ Info: Reading /home/pkgeval/.julia/packages/Wannier/BPN1x/test/fixtures/graphene_unk/graphene.w90.amn header = Created by Wannier.jl 2022-09-01T13:03:41.649 n_bands = 10 n_wann = 5 n_kpts = 4 [1] signal 15: Terminated in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 epoll_pwait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/linux.c:1404 uv_run at /workspace/srcdir/libuv/src/unix/core.c:430 ijl_task_get_next at /source/src/scheduler.c:457 wait at ./task.jl:1217 wait_forever at ./task.jl:1139 jfptr_wait_forever_55536.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] start_task at /source/src/task.c:1281 unknown function (ip: (nil)) at (unknown file) Allocations: 36372716 (Pool: 36372020; Big: 696); GC: 42 [517] signal 15: Terminated in expression starting at /home/pkgeval/.julia/packages/Wannier/BPN1x/test/realspace.jl:8 add_inlining_edge! at ./../usr/share/julia/Compiler/src/stmtinfo.jl:382 add_inlining_edge! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:70 [inlined] resolve_todo at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:871 #handle_const_prop_result!#198 at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1442 handle_const_prop_result! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1435 [inlined] #handle_any_const_result!#192 at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1318 handle_any_const_result! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1309 [inlined] compute_inlining_cases at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1381 handle_call! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1413 [inlined] assemble_inline_todo! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:1662 ssa_inlining_pass! at ./../usr/share/julia/Compiler/src/ssair/inlining.jl:76 [inlined] run_passes_ipo_safe at ./../usr/share/julia/Compiler/src/optimize.jl:1046 run_passes_ipo_safe at ./../usr/share/julia/Compiler/src/optimize.jl:1059 [inlined] optimize at ./../usr/share/julia/Compiler/src/optimize.jl:1032 jfptr_optimize_83971.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 finish_nocycle at ./../usr/share/julia/Compiler/src/typeinfer.jl:231 jfptr_finish_nocycle_85547.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 typeinf at ./../usr/share/julia/Compiler/src/abstractinterpretation.jl:4523 typeinf_ext at ./../usr/share/julia/Compiler/src/typeinfer.jl:1386 typeinf_ext_toplevel at ./../usr/share/julia/Compiler/src/typeinfer.jl:1569 [inlined] typeinf_ext_toplevel at ./../usr/share/julia/Compiler/src/typeinfer.jl:1578 jfptr_typeinf_ext_toplevel_85638.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] jl_type_infer at /source/src/gf.c:463 jl_compile_method_internal at /source/src/gf.c:3636 _jl_invoke at /source/src/gf.c:4108 [inlined] ijl_apply_generic at /source/src/gf.c:4313 macro expansion at /home/pkgeval/.julia/packages/Wannier/BPN1x/test/realspace.jl:12 [inlined] macro expansion at /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] top-level scope at /home/pkgeval/.julia/packages/Wannier/BPN1x/test/realspace.jl:9 _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_invoke at /source/src/gf.c:4123 jl_toplevel_eval_flex at /source/src/toplevel.c:731 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 include_string at ./loading.jl:2954 _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 _include at ./loading.jl:3014 include at ./Base.jl:310 IncludeInto at ./Base.jl:311 jfptr_IncludeInto_68568.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:679 eval_body at /source/src/interpreter.c:550 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 eval_body at /source/src/interpreter.c:558 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 jl_toplevel_eval_flex at /source/src/toplevel.c:742 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 include_string at ./loading.jl:2954 _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 _include at ./loading.jl:3014 include at ./Base.jl:310 IncludeInto at ./Base.jl:311 jfptr_IncludeInto_68568.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:679 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 jl_toplevel_eval_flex at /source/src/toplevel.c:742 jl_eval_toplevel_stmts at /source/src/toplevel.c:585 jl_toplevel_eval_flex at /source/src/toplevel.c:683 ijl_toplevel_eval at /source/src/toplevel.c:754 ijl_toplevel_eval_in at /source/src/toplevel.c:799 eval at ./boot.jl:489 exec_options at ./client.jl:310 _start at ./client.jl:577 jfptr__start_39417.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4116 [inlined] ijl_apply_generic at /source/src/gf.c:4313 jl_apply at /source/src/julia.h:2271 [inlined] true_main at /source/src/jlapi.c:971 jl_repl_entrypoint at /source/src/jlapi.c:1138 main at /source/cli/loader_exe.c:58 unknown function (ip: 0x7442fb2ab249) at /lib/x86_64-linux-gnu/libc.so.6 __libc_start_main at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) unknown function (ip: 0x4010b8) at /workspace/srcdir/glibc-2.17/csu/../sysdeps/x86_64/start.S unknown function (ip: (nil)) at (unknown file) Allocations: 5008324772 (Pool: 5008323356; Big: 1416); GC: 20757 PkgEval terminated after 2723.49s: test duration exceeded the time limit