Package evaluation of JenaAtomicCalculator on Julia 1.12.0-rc1.2 (995ff9db19*) started at 2025-07-15T04:30:12.356 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 8.47s ################################################################################ # Installation # Installing JenaAtomicCalculator... Resolving package versions... Installed Conda ── v1.10.2 Installed IJulia ─ v1.29.0 Updating `~/.julia/environments/v1.12/Project.toml` [830ae420] + JenaAtomicCalculator v0.1.0 Updating `~/.julia/environments/v1.12/Manifest.toml` [66dad0bd] + AliasTables v1.1.3 [4c555306] + ArrayLayouts v1.11.1 [093aae92] + BSplineKit v0.19.0 [aae01518] + BandedMatrices v1.9.4 [6e4b80f9] + BenchmarkTools v1.6.0 [d1d4a3ce] + BitFlags v0.1.9 [da1fd8a2] + CodeTracking v1.3.9 [944b1d66] + CodecZlib v0.7.8 [35d6a980] + ColorSchemes v3.30.0 [3da002f7] + ColorTypes v0.12.1 [c3611d14] + ColorVectorSpace v0.11.0 [5ae59095] + Colors v0.13.1 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.17.0 [807dbc54] + Compiler v0.1.1 [f0e56b4a] + ConcurrentUtilities v2.5.0 [8f4d0f93] + Conda v1.10.2 [5218b696] + Configurations v0.17.6 [d38c429a] + Contour v0.6.3 [667455a9] + Cubature v1.5.1 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.18.22 [e2d170a0] + DataValueInterfaces v1.0.0 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [ffbed154] + DocStringExtensions v0.9.5 [460bff9d] + ExceptionUnwrapping v0.1.11 [21656369] + ExpressionExplorer v1.1.3 [55351af7] + ExproniconLite v0.10.14 [c87230d0] + FFMPEG v0.4.2 [442a2c76] + FastGaussQuadrature v1.0.2 [5789e2e9] + FileIO v1.17.0 [1a297f60] + FillArrays v1.13.0 [53c48c17] + FixedPointNumbers v0.8.5 [1fa38f19] + Format v1.3.7 [c58ffaec] + FortranFiles v0.6.2 [f6369f11] + ForwardDiff v1.0.1 [28b8d3ca] + GR v0.73.17 [92c85e6c] + GSL v1.0.1 [d54b0c1a] + GaussQuadrature v0.5.8 [828d9ff0] + GracefulPkg v2.2.1 [42e2da0e] + Grisu v1.0.2 [cd3eb016] + HTTP v1.10.17 [f0d1745a] + HalfIntegers v1.6.0 [076d061b] + HashArrayMappedTries v0.2.0 [34004b35] + HypergeometricFunctions v0.3.28 [ac1192a8] + HypertextLiteral v0.9.5 [7073ff75] + IJulia v1.29.0 [615f187c] + IfElse v0.1.1 [18e54dd8] + IntegerMathUtils v0.1.3 [92d709cd] + IrrationalConstants v0.2.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [033835bb] + JLD2 v0.5.15 [1019f520] + JLFzf v0.1.11 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [830ae420] + JenaAtomicCalculator v0.1.0 [aa1ae85d] + JuliaInterpreter v0.10.3 [8ac3fa9e] + LRUCache v1.6.2 [b964fa9f] + LaTeXStrings v1.4.0 [23fbe1c1] + Latexify v0.16.8 [0e77f7df] + LazilyInitializedFields v1.3.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [e6f89c97] + LoggingExtras v1.1.0 [6f1432cf] + LoweredCodeUtils v3.4.1 [6c6e2e6c] + MIMEs v1.1.0 [1914dd2f] + MacroTools v0.5.16 [36869731] + Malt v1.1.2 [739be429] + MbedTLS v1.1.9 [442fdcdd] + Measures v0.3.2 [e1d29d7a] + Missings v1.2.0 [99f44e22] + MsgPack v1.2.1 [77ba4419] + NaNMath v1.1.3 [4d8831e6] + OpenSSL v1.5.0 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.3 [ccf2f8ad] + PlotThemes v3.3.0 [995b91a9] + PlotUtils v1.4.3 [91a5bcdd] + Plots v1.40.16 [c3e4b0f8] + Pluto v0.20.13 [72656b73] + PlutoDependencyExplorer v1.2.1 [91cefc8d] + PrecompileSignatures v3.0.3 [aea7be01] + PrecompileTools v1.3.2 [21216c6a] + Preferences v1.4.3 [27ebfcd6] + Primes v0.5.7 [92933f4c] + ProgressMeter v1.10.4 [43287f4e] + PtrArrays v1.3.0 [1fd47b50] + QuadGK v2.11.2 [308eb6b3] + RationalRoots v0.2.1 [3cdcf5f2] + RecipesBase v1.3.4 [01d81517] + RecipesPipeline v0.6.12 [189a3867] + Reexport v1.2.2 [2792f1a3] + RegistryInstances v0.1.0 [05181044] + RelocatableFolders v1.0.1 [ae029012] + Requires v1.3.1 [295af30f] + Revise v3.8.0 [7e506255] + ScopedValues v1.3.0 [6c6a2e73] + Scratch v1.3.0 [992d4aef] + Showoff v1.0.3 [777ac1f9] + SimpleBufferStream v1.2.0 [b85f4697] + SoftGlobalScope v1.1.0 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.1 [860ef19b] + StableRNGs v1.0.3 [aedffcd0] + Static v1.2.0 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.5 [123dc426] + SymEngine v0.12.0 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [62fd8b95] + TensorCore v0.1.1 [3bb67fe8] + TranscodingStreams v0.11.3 [410a4b4d] + Tricks v0.1.10 [5c2747f8] + URIs v1.6.1 [1cfade01] + UnicodeFun v0.4.1 [1986cc42] + Unitful v1.23.1 [45397f5d] + UnitfulLatexify v1.7.0 [41fe7b60] + Unzip v0.2.0 [81def892] + VersionParsing v1.3.0 [9f57e263] + WignerSymbols v2.0.0 [c2297ded] + ZMQ v1.4.1 [6e34b625] + Bzip2_jll v1.0.9+0 [83423d85] + Cairo_jll v1.18.5+0 [7bc98958] + Cubature_jll v1.0.5+0 [ee1fde0b] + Dbus_jll v1.16.2+0 [2702e6a9] + EpollShim_jll v0.0.20230411+1 [2e619515] + Expat_jll v2.6.5+0 ⌅ [b22a6f82] + FFMPEG_jll v4.4.4+1 [a3f928ae] + Fontconfig_jll v2.16.0+0 [d7e528f0] + FreeType2_jll v2.13.4+0 [559328eb] + FriBidi_jll v1.0.17+0 [0656b61e] + GLFW_jll v3.4.0+2 [d2c73de3] + GR_jll v0.73.17+0 [1b77fbbe] + GSL_jll v2.8.1+0 [b0724c58] + GettextRuntime_jll v0.22.4+0 [7746bdde] + Glib_jll v2.84.3+0 [3b182d85] + Graphite2_jll v1.3.15+0 [2e76f6c2] + HarfBuzz_jll v8.5.1+0 [aacddb02] + JpegTurbo_jll v3.1.1+0 [c1c5ebd0] + LAME_jll v3.100.3+0 [88015f11] + LERC_jll v4.0.1+0 [1d63c593] + LLVMOpenMP_jll v18.1.8+0 [dd4b983a] + LZO_jll v2.10.3+0 [e9f186c6] + Libffi_jll v3.4.7+0 [7e76a0d4] + Libglvnd_jll v1.7.1+1 [94ce4f54] + Libiconv_jll v1.18.0+0 [4b2f31a3] + Libmount_jll v2.41.0+0 [89763e89] + Libtiff_jll v4.7.1+0 [38a345b3] + Libuuid_jll v2.41.0+0 [2ce0c516] + MPC_jll v1.3.1+0 [c8ffd9c3] + MbedTLS_jll v2.28.6+2 [e7412a2a] + Ogg_jll v1.3.6+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [91d4177d] + Opus_jll v1.5.2+0 [36c8627f] + Pango_jll v1.56.3+0 ⌅ [30392449] + Pixman_jll v0.44.2+0 [c0090381] + Qt6Base_jll v6.8.2+1 [629bc702] + Qt6Declarative_jll v6.8.2+1 [ce943373] + Qt6ShaderTools_jll v6.8.2+1 [e99dba38] + Qt6Wayland_jll v6.8.2+1 [3428059b] + SymEngine_jll v0.12.0+0 [a44049a8] + Vulkan_Loader_jll v1.3.243+0 [a2964d1f] + Wayland_jll v1.24.0+0 [ffd25f8a] + XZ_jll v5.8.1+0 [f67eecfb] + Xorg_libICE_jll v1.1.2+0 [c834827a] + Xorg_libSM_jll v1.2.6+0 [4f6342f7] + Xorg_libX11_jll v1.8.12+0 [0c0b7dd1] + Xorg_libXau_jll v1.0.13+0 [935fb764] + Xorg_libXcursor_jll v1.2.4+0 [a3789734] + Xorg_libXdmcp_jll v1.1.6+0 [1082639a] + Xorg_libXext_jll v1.3.7+0 [d091e8ba] + Xorg_libXfixes_jll v6.0.1+0 [a51aa0fd] + Xorg_libXi_jll v1.8.3+0 [d1454406] + Xorg_libXinerama_jll v1.1.6+0 [ec84b674] + Xorg_libXrandr_jll v1.5.5+0 [ea2f1a96] + Xorg_libXrender_jll v0.9.12+0 [c7cfdc94] + Xorg_libxcb_jll v1.17.1+0 [cc61e674] + Xorg_libxkbfile_jll v1.1.3+0 [e920d4aa] + Xorg_xcb_util_cursor_jll v0.1.5+0 [12413925] + Xorg_xcb_util_image_jll v0.4.1+0 [2def613f] + Xorg_xcb_util_jll v0.4.1+0 [975044d2] + Xorg_xcb_util_keysyms_jll v0.4.1+0 [0d47668e] + Xorg_xcb_util_renderutil_jll v0.3.10+0 [c22f9ab0] + Xorg_xcb_util_wm_jll v0.4.2+0 [35661453] + Xorg_xkbcomp_jll v1.4.7+0 [33bec58e] + Xorg_xkeyboard_config_jll v2.44.0+0 [c5fb5394] + Xorg_xtrans_jll v1.6.0+0 [8f1865be] + ZeroMQ_jll v4.3.6+0 [3161d3a3] + Zstd_jll v1.5.7+1 [35ca27e7] + eudev_jll v3.2.14+0 [214eeab7] + fzf_jll v0.61.1+0 [a4ae2306] + libaom_jll v3.11.0+0 ⌅ [0ac62f75] + libass_jll v0.15.2+0 [1183f4f0] + libdecor_jll v0.2.2+0 [2db6ffa8] + libevdev_jll v1.13.4+0 [f638f0a6] + libfdk_aac_jll v2.0.4+0 [36db933b] + libinput_jll v1.28.1+0 [b53b4c65] + libpng_jll v1.6.50+0 [a9144af2] + libsodium_jll v1.0.21+0 [f27f6e37] + libvorbis_jll v1.3.8+0 [009596ad] + mtdev_jll v1.1.7+0 ⌅ [1270edf5] + x264_jll v2021.5.5+0 ⌅ [dfaa095f] + x265_jll v3.5.0+0 [d8fb68d0] + xkbcommon_jll v1.9.2+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 v1.6.0 [7b1f6079] + FileWatching v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.12.0 [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 [9abbd945] + Profile 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 v1.12.0 [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 [781609d7] + GMP_jll v6.3.0+2 [deac9b47] + LibCURL_jll v8.11.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [3a97d323] + MPFR_jll v4.2.2+0 [14a3606d] + MozillaCACerts_jll v2025.5.20 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.5.1+0 [efcefdf7] + PCRE2_jll v10.44.0+1 [bea87d4a] + SuiteSparse_jll v7.8.3+2 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.13.1+0 [8e850ede] + nghttp2_jll v1.64.0+1 [3f19e933] + p7zip_jll v17.5.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Building Conda ─→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/b19db3927f0db4151cb86d073689f2428e524576/build.log` Building IJulia → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/9e60d328aa8060368d6dadd24b644d0ebaf0c1cb/build.log` Installation completed after 11.8s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 244.77s ################################################################################ # Testing # Testing JenaAtomicCalculator Status `/tmp/jl_cU4pTG/Project.toml` [093aae92] BSplineKit v0.19.0 [6e4b80f9] BenchmarkTools v1.6.0 [667455a9] Cubature v1.5.1 [864edb3b] DataStructures v0.18.22 [8bb1440f] DelimitedFiles v1.9.1 [442a2c76] FastGaussQuadrature v1.0.2 [c58ffaec] FortranFiles v0.6.2 [92c85e6c] GSL v1.0.1 [d54b0c1a] GaussQuadrature v0.5.8 [34004b35] HypergeometricFunctions v0.3.28 [7073ff75] IJulia v1.29.0 [033835bb] JLD2 v0.5.15 [830ae420] JenaAtomicCalculator v0.1.0 [1914dd2f] MacroTools v0.5.16 [91a5bcdd] Plots v1.40.16 [c3e4b0f8] Pluto v0.20.13 [92933f4c] ProgressMeter v1.10.4 [1fd47b50] QuadGK v2.11.2 [3cdcf5f2] RecipesBase v1.3.4 [295af30f] Revise v3.8.0 [276daf66] SpecialFunctions v2.5.1 [123dc426] SymEngine v0.12.0 [9f57e263] WignerSymbols v2.0.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [37e2e46d] LinearAlgebra v1.12.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_cU4pTG/Manifest.toml` [66dad0bd] AliasTables v1.1.3 [4c555306] ArrayLayouts v1.11.1 [093aae92] BSplineKit v0.19.0 [aae01518] BandedMatrices v1.9.4 [6e4b80f9] BenchmarkTools v1.6.0 [d1d4a3ce] BitFlags v0.1.9 [da1fd8a2] CodeTracking v1.3.9 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.30.0 [3da002f7] ColorTypes v0.12.1 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.1 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.17.0 [807dbc54] Compiler v0.1.1 [f0e56b4a] ConcurrentUtilities v2.5.0 [8f4d0f93] Conda v1.10.2 [5218b696] Configurations v0.17.6 [d38c429a] Contour v0.6.3 [667455a9] Cubature v1.5.1 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [ffbed154] DocStringExtensions v0.9.5 [460bff9d] ExceptionUnwrapping v0.1.11 [21656369] ExpressionExplorer v1.1.3 [55351af7] ExproniconLite v0.10.14 [c87230d0] FFMPEG v0.4.2 [442a2c76] FastGaussQuadrature v1.0.2 [5789e2e9] FileIO v1.17.0 [1a297f60] FillArrays v1.13.0 [53c48c17] FixedPointNumbers v0.8.5 [1fa38f19] Format v1.3.7 [c58ffaec] FortranFiles v0.6.2 [f6369f11] ForwardDiff v1.0.1 [28b8d3ca] GR v0.73.17 [92c85e6c] GSL v1.0.1 [d54b0c1a] GaussQuadrature v0.5.8 [828d9ff0] GracefulPkg v2.2.1 [42e2da0e] Grisu v1.0.2 [cd3eb016] HTTP v1.10.17 [f0d1745a] HalfIntegers v1.6.0 [076d061b] HashArrayMappedTries v0.2.0 [34004b35] HypergeometricFunctions v0.3.28 [ac1192a8] HypertextLiteral v0.9.5 [7073ff75] IJulia v1.29.0 [615f187c] IfElse v0.1.1 [18e54dd8] IntegerMathUtils v0.1.3 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [033835bb] JLD2 v0.5.15 [1019f520] JLFzf v0.1.11 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [830ae420] JenaAtomicCalculator v0.1.0 [aa1ae85d] JuliaInterpreter v0.10.3 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Testing Running tests... Perform tests on the JAC program; this may take a while .... testMethod_Wigner_3j():: [OK] >> w3j-original = W3j(j, j, 0; m, -m, 0) >> Special value found for W3j(j, j, 0; m, -m, 0) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> wb-special value = (-1)^(j - m) ((1 + 2*j)^(-1/2)) >> Special value found for W3j(j, 0, j; -m, 0, m) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> wc-special value = (-1)^(j - m) ((1 + 2*j)^(-1/2)) testEvaluation_Wigner_3j_specialValues():: [OK] >> w6j-original = W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> wb-special value = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) >> Special value found for W6j{j1, j3, j2; 1/2, 1/2 + j2, -1/2 + j3} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> wc-special value = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) testEvaluation_Wigner_6j_specialValues():: [OK] >> w9j-original = W9j{a, b, c; d, ee, f; g, h, 0} >> Special value found for W9j{b, a, c; ee, d, f; h, g, 0} = (-1)^(a + c + d + f) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} . >> wb-special value = (-1)^(2*a + b + 2*c + 2*d + ee + 2*f + g + h) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} >> Special value found for W9j{c, b, a; f, ee, d; 0, h, g} = (-1)^(a + c + d + f) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} . >> wc-special value = (-1)^(2*a + b + 2*c + 2*d + ee + 2*f + g + h) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} testEvaluation_Wigner_9j_specialValues():: [OK] >> rex-original = Sum_[SymEngine.Basic[m]] (-1)^(-m) W3j(j, j, J; m, -m, M) >> Apply sum rule for one W3j -- Sum(m) (-1)^m ... >> rex-evaluated = (-1)^(-j) (1 + 2*j) delta(J, 0) delta(M, 0) >> rex-original = Sum_[SymEngine.Basic[X]] (1 + 2*X) W6j{a, b, X; a, b, c} >> Apply sum rule for one W6j -- Sum(X) ... >> rex-evaluated = (-1)^(2*c) delta (a, b, c) >> rex-original = Sum_[SymEngine.Basic[X]] (-1)^(X) (1 + 2*X) W6j{a, b, X; b, a, c} >> Apply sum rule for one W6j -- Sum(X) (-1)^X ... >> rex-evaluated = (-1)^(-a - b) (sqrt((1 + 2*b)*(1 + 2*a))) delta(c, 0) >> rex-original = Sum_[SymEngine.Basic[X]] (1 + 2*X) W9j{a, b, ee; c, d, f; ee, f, X} >> Apply sum rule for one W9j -- Sum(X) .... >> rex-evaluated = ((1 + 2*b)^(-1)) delta(b, c) delta (a, b, ee) delta (b, d, f) >> rex-original = Sum_[SymEngine.Basic[X]] (-1)^(-X) (1 + 2*X) W9j{a, b, ee; c, d, f; f, ee, X} >> Apply sum rule for one W9j -- Sum(-X) (-1)^-X .... >> rex-evaluated = (-1)^(-2*a - b - c) ((1 + 2*a)^(-1)) delta(a, d) delta (a, b, ee) delta (a, c, f) testEvaluation_sumRulesForOneWnj():: [OK] >> rex-original = Sum_[SymEngine.Basic[j3, m3]] (1 + 2*j3) W3j(j1, j2, j3; m1, m2, m3) W3j(j1, j2, j3; m1p, m2p, m3) >> Apply sum rule for two W3j -- Sum(j3,m3) ... >> rex-evaluated = delta(m1p, m1) delta(m2p, m2) >> rex-original = Sum_[SymEngine.Basic[m1, m2]] W3j(j1, j2, j3; m1, m2, m3) W3j(j1, j2, j3p; m1, m2, m3p) >> Apply sum rule for two W3j -- Sum(m1,m2) ... >> rex-evaluated = ((1 + 2*j3p)^(-1)) delta(j3p, j3) delta(m3p, m3) delta (j1, j2, j3p) >> rex-original = Sum_[SymEngine.Basic[np, nq]] (-1)^(-np - nq) W3j(a, p, q; -na, np, nq) W3j(p, q, ap; -np, -nq, nap) >> Apply sum rule for two W3j -- Sum(np,nq) (-1)^(-np-nq) ... >>> two W3j -- Sum(np,nq) (-1)^(-np-nq):::: phase = ap + 2*na - nap - p - q without = SymEngine.Basic[na, nap] zeroTerms = SymEngine.Basic[2*a + 2*p + 2*q, -na + np + nq, 2*a - 2*na, 2*np + 2*p, 2*nq + 2*q, 2*ap + 2*p + 2*q, nap - np - nq, -2*np + 2*p, -2*nq + 2*q, 2*ap + 2*nap] >>> two W3j -- Sum(np,nq) (-1)^(-np-nq): newPhase = ap - nap - 3*p - 3*q now shorter !!!! >> rex-evaluated = (-1)^(ap - nap + p + q) ((1 + 2*ap)^(-1)) delta(ap, a) delta(-nap, -na) delta (ap, p, q) testEvaluation_sumRulesForTwoWnj():: [OK] >> Special value found for W3j(j, j, 0; m, -m, 0) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> Special value found for W3j(j, -1/2 + j, 1/2; m, -1/2 - m, 1/2) = (-1)^(-1 + j - m) ((1/2)*sqrt(2)*sqrt((j - m)/(j*(1 + 2*j)))) . >> Special value found for W3j(1 + j, j, 1; m, -1 - m, 1) = (-1)^(-1 + j - m) (sqrt((1 + j - m)*(j - m)*(1 + 2*j)*(2 + 2*j)/(3 + 2*j))) . >> Special value found for W3j(1 + j, j, 1; m, -m, 0) = (-1)^(-1 + j - m) (sqrt(2)*sqrt((1 + j - m)*(1 + j + m)*(1 + 2*j)*(2 + 2*j)/(3 + 2*j))) . >> Special value found for W3j(j, j, 1; m, -1 - m, 1) = (-1)^(j - m) (2*sqrt(j*(1 + j + m)*(j - m)*(1 + 2*j)/(2 + 2*j))) . >> Special value found for W3j(j, j, 1; m, -m, 0) = (-1)^(j - m) (sqrt(2)*m/sqrt(j*(1 + 2*j)*(2 + 2*j))) . >> Special value found for W3j(3/2 + j, j, 3/2; m, -3/2 - m, 3/2) = (-1)^(1/2 + j - m) (sqrt((-3/2 + j - m)*(1/2 + j - m)*(-1/2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(3/2 + j, j, 3/2; m, -1/2 - m, 1/2) = (-1)^(1/2 + j - m) (sqrt(3)*sqrt((1/2 + j - m)*(3/2 + j + m)*(3/2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1/2 + j, j, 3/2; m, -1/2 - m, 1/2) = (-1)^(-1/2 + j - m) ((1/2)*sqrt(2)*(3/2 + j + 3*m)*sqrt((1/2 + j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)))) . >> Special value found for W3j(2 + j, j, 2; m, -2 - m, 2) = (-1)^(j - m) (sqrt((1 + j - m)*(-1 + j - m)*(j - m)*(-2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)*(5 + 2*j)))) . >> Special value found for W3j(2 + j, j, 2; m, -m, 0) = (-1)^(j - m) (sqrt(6)*sqrt((1 + j - m)*(2 + j - m)*(1 + j + m)*(2 + j + m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)*(5 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -2 - m, 2) = (-1)^(1 + j - m) (sqrt(2)*sqrt((1 + j - m)*(2 + j - m)*(-1 + j - m)*(j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -1 - m, 1) = (-1)^(1 + j - m) (sqrt(2)*(2 + j + 2*m)*sqrt((-1 + j - m)*(j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -m, 0) = (-1)^(1 + j - m) (2*sqrt(3)*m*sqrt((1 + j - m)^2/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(j, j, 2; m, -m, 0) = (-1)^(j - m) (sqrt(2)*(-j*(1 + j) + 3*m^2)/sqrt(j*(-1 + 2*j)*(1 + 2*j)*(2 + 2*j)*(3 + 2*j))) . >> Special value found for W6j{j1, j2, j3; l1, l2, 0} = (-1)^(j1 + j2 + j3) (((1 + 2*j1)*(1 + 2*j2))^(-1/2)) delta(j1, l2) delta(j2, l1) delta (j1, j2, j3) . >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1/2, 1/2 + j3, 1/2 + j2} = (-1)^(1 + j1 + j2 + j3) (sqrt((1 - j1 + j2 + j3)*(2 + j1 + j2 + j3)*(2 + 2*j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, -1 + j2} = (-1)^(j1 + j2 + j3) (2*sqrt(j2*j3*(j1 + j2 + j3)*(-j1 + j2 + j3)*(-1 - j1 + j2 + j3)*(1 + j1 + j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(1 + 2*j2)/(-1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j2*j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(-j1 + j2 + j3)*(1 + j1 + j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(2 + 2*j2)*(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, 1 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(2 + j1 + j2 - j3)*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(-1 + j1 - j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(3 + 2*j2)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, j3, j2} = (-1)^(1 + j1 + j2 + j3) ((-j1*(1 + j1) + j2*(1 + j2) + j3*(1 + j3))/sqrt(j2*j3*(2 + 2*j3)*(1 + 2*j3)*(2 + 2*j2)*(1 + 2*j2))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, -3/2 + b} = (-1)^(a + b + c) (2*sqrt(b*c*(1 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)*(-1 + a + b + c)*(a + b + c)*(1 + a + b + c)*(-2 - a + b + c)*(-1 - a + b + c)*(-a + b + c)/(-2 + 2*b))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, -1/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(3)*sqrt((a - b + c)*(a + b + c)*(1 + a + b + c)*(1 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, 1/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(3)*sqrt((-1 + a - b + c)*(a - b + c)*(1 + a + b + c)*(1 + a + b - c)*(2 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, 3/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt((-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(3 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)/(c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -1/2 + c, -1/2 + b} = (-1)^(a + b + c) ((1/2)*(2*(a - b + c)*(a + b - c) - (2 + a + b + c)*(-1 - a + b + c))*sqrt((1 + a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)^2*(-1 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -1/2 + c, 1/2 + b} = (-1)^(a + b + c) ((1/2)*((-1 + a - b + c)*(a + b - c) - 2*(2 + a + b + c)*(-a + b + c))*sqrt((a - b + c)*(1 + a + b - c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, -2 + b} = (-1)^(a + b + c) ((1/2)*sqrt((-1 + a + b + c)*(a + b + c)*(-2 + a + b + c)*(-3 - a + b + c)*(-2 - a + b + c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-3 + 2*b)*(-2 + 2*b)*(1 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, -1 + b} = (-1)^(a + b + c) (2 + (1/2)*sqrt((a - b + c)*(-1 + a + b + c)*(a + b + c)*(1 + a + b + c)*(-2 - a + b + c)*(1 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-2 + 2*b)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt(3)*sqrt((-1 + a - b + c)*(a - b + c)*(a + b + c)*(1 + a + b + c)*(1 + a + b - c)*(2 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, 1 + b} = (-1)^(a + b + c) (sqrt((-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(1 + a + b + c)*(3 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, 2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt((-3 + a - b + c)*(-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(3 + a + b - c)*(4 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)/(c*(1 + 2*b)*(2 + 2*b)*(5 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, -1 + b} = (-1)^(a + b + c) (2*((a + b)*(1 + a - b) - (1 - b + c)*(-1 + c))*sqrt((a + b + c)*(1 + a + b + c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-2 + 2*b)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, b} = (-1)^(a + b + c) (sqrt(2)*sqrt(3)*(1 + (1 + a + b)*(a - b) - c^2)*sqrt((a - b + c)*(1 + a + b + c)*(1 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, 1 + b} = (-1)^(a + b + c) (2*((2 + a + b)*(-1 + a - b) - (2 + b + c)*(-1 + c))*sqrt((-1 + a - b + c)*(a - b + c)*(1 + a + b - c)*(2 + a + b - c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, c, b} = (-1)^(a + b + c) ((3*(-a*(1 + a) + b*(1 + b) + c*(1 + c))*(-1 - a*(1 + a) + b*(1 + b) + c*(1 + c)) - 4*b*c*(1 + b)*(1 + c))*sqrt(1/(b*c*(3 + 2*c)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)))) . >> Special value found for W6j{j1, j2, j3; l1, l2, 0} = (-1)^(j1 + j2 + j3) (((1 + 2*j1)*(1 + 2*j2))^(-1/2)) delta(j1, l2) delta(j2, l1) delta (j1, j2, j3) . >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Apply sum rule for one W3j -- Sum(m) (-1)^m ... >> Apply sum rule for one W6j -- Sum(X) ... >> Apply sum rule for one W6j -- Sum(X) (-1)^X ... >> Apply sum rule for one W9j -- Sum(X) .... >> Apply sum rule for one W9j -- Sum(-X) (-1)^-X .... >> Apply sum rule for two W3j -- Sum(j3,m3) ... >> Apply sum rule for two W3j -- Sum(m1,m2) ... >> Apply sum rule for two W3j -- Sum(np,nq) (-1)^(-np-nq) ... >>> two W3j -- Sum(np,nq) (-1)^(-np-nq):::: phase = ap + 2*na - nap - p - q without = SymEngine.Basic[na, nap] zeroTerms = SymEngine.Basic[2*a + 2*p + 2*q, -na + np + nq, 2*a - 2*na, 2*np + 2*p, 2*nq + 2*q, 2*ap + 2*p + 2*q, nap - np - nq, -2*np + 2*p, -2*nq + 2*q, 2*ap + 2*nap] >>> two W3j -- Sum(np,nq) (-1)^(-np-nq): newPhase = ap - nap - 3*p - 3*q now shorter !!!! >> Apply sum rule for two W6j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for two W6j -- Sum(X) (-1)^X [X] (1)^X ... >> Apply sum rule for two W6j -- Sum(X) [X] ... >> Apply sum rule for one W6j & one W9j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for one W6j & one W9j -- Sum(X) [X] ... >> Apply sum rule for one W6j & one W9j -- Sum(X) [X] (-1)^X ... >> Apply sum rule for two W9j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for two W9j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for two W9j -- Sum(X,Y) (-1)^Y [X,Y] ... >> Apply sum rule for three W3j -- Sum(m4,m5,m6) ... >> Apply sum rule for two W3j & one W6j -- Sum(l3, n3) ... >> Apply sum rule for three W6j -- Sum(X) (-1)^R+X ... [ Info: sumRulesForThreeW6j: Proper set of three W6js found. >> Apply sum rule for three W6j -- Sum(X) (-1)^2X [X] ... wa = W9j{c, b, p; f, r, a; q, ee, d} >> Apply sum rule for two W6j -- Sum(X) [X] ... >> Apply sum rule for two W6j -- Sum(X) (-1)^X [X] (1)^X ... >> Apply sum rule for two W6j -- Sum(X) [X] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y,Z) [X,Y,Z] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) (-1)X+Y [X,Y] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (1st) [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (2nd) [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y) [X,Y] ... [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y,Z) (-1)^X+Y [X,Y,Z] ... [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y,Z) (-1)^X [X,Y,Z] ... >> Apply sum rule for three W9j -- Sum(X,Y,Z) [X,Y,Z] ... [ Info: sumRulesForFourW3j: Proper set of four W3js found. >> Apply sum rule for four W3j -- Sum(m1,m2,m3,m4) (-1)^-m1-m2-m3-m4 ... >> Apply sum rule for four W6j -- Sum(X) [X] (-1)^R-X ... >> Apply sum rule for four W6j -- Sum(X) [X] ... >> Apply sum rule for four W6j -- Sum(X,Y,Z) [X,Y,Z] (-1)^X+Y+Z ... >> Apply sum rule for four W6j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for four W6j -- Sum(X,Y) [X,Y] (-1)^X+Y ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (2nd) >> Apply sum rule for two W6j -- Sum(X) [X] ... [ Info: sumRulesForThreeW6j: Proper set of three W6js found. >> Apply sum rule for three W6j -- Sum(X) (-1)^2X [X] ... wa = Sum_[SymEngine.Basic[X, Y]] ((1 + 2*Y)*(1 + 2*X)) W9j{a, b, X; c, d, Y; eep, fp, g} W9j{X, Y, g; a, c, ee; b, d, f} >> Apply sum rule for two W9j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for three W6j & one W9j -- Sum(X,Y) [X,Y] (-1)^Y ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^Z ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^2Y-Z ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^Y ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y) [X,Y] (-1)^X+Y ... >> Apply sum rule for one W6j & three W9j -- Sum(X,Y,Z) [X,Y,Z] ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^0 2p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^1 2p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.20273041e+01 -3.20273113e+01 +2.21938550e-07 2 2s_1/2 -8.00853629e+00 -8.00853549e+00 -9.94592001e-08 3 3s_1/2 -3.55862908e+00 -3.55858988e+00 -1.10148569e-05 4 4s_1/2 -2.00152525e+00 -2.00138659e+00 -6.92760970e-05 5 5s_1/2 -1.28111908e+00 -1.28074263e+00 -2.93845519e-04 6 6s_1/2 -9.06949402e-01 -8.89331258e-01 -1.94257187e-02 7 7s_1/2 -8.85252488e-01 -6.53345470e-01 -2.61967090e-01 : : 61 61s_1/2 +1.07249661e+09 -8.60031375e-03 +1.00000000e+00 62 62s_1/2 +2.82417208e+09 -8.32511428e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.00853588e+00 -8.00853549e+00 -4.75787572e-08 2 3p_1/2 -3.55860352e+00 -3.55858988e+00 -3.83150037e-06 3 4p_1/2 -2.00142216e+00 -2.00138659e+00 -1.77697752e-05 4 5p_1/2 -1.28084290e+00 -1.28074263e+00 -7.82856468e-05 5 6p_1/2 -8.89800348e-01 -8.89331258e-01 -5.27186322e-04 6 7p_1/2 -6.52074683e-01 -6.53345470e-01 +1.94883649e-03 7 8p_1/2 -6.26517294e-01 -5.00193270e-01 -2.01628950e-01 : : 61 62p_1/2 +1.31156327e+09 -8.32511428e-03 +1.00000000e+00 62 63p_1/2 +6.75310417e+09 -8.06291560e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.00170546e+00 -8.00170477e+00 -8.60739840e-08 2 3p_3/2 -3.55659002e+00 -3.55656582e+00 -6.80358273e-06 3 4p_3/2 -2.00069471e+00 -2.00053275e+00 -8.09503823e-05 4 5p_3/2 -1.28079561e+00 -1.28030549e+00 -3.82661371e-04 5 6p_3/2 -1.04165303e+00 -8.89078304e-01 -1.46473658e-01 6 7p_3/2 -8.89908858e-01 -6.53186184e-01 -2.66007774e-01 7 8p_3/2 -6.52560815e-01 -5.00086566e-01 -2.33655233e-01 : : 61 62p_3/2 +1.75382704e+09 -8.32488513e-03 +1.00000000e+00 62 63p_3/2 +6.75821821e+09 -8.06269719e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -1.4209735e+01; self-cons'cy = 3.8535e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.1912408e-03; self-cons'cy = 9.9895e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.8058422e-01; self-cons'cy = 9.0927e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.8258152e-01; self-cons'cy = 8.2182e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.0724762e+01; self-cons'cy = 1.8649e-01 [1.1441e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.9263568e+00; self-cons'cy = 9.9566e-01 [1.1441e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8303813e-01; self-cons'cy = 1.4699e-01 [1.0257e+00 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.5120552e-01; self-cons'cy = 6.7615e-01 [2.3418e+00 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -1.8681226e+01; self-cons'cy = 5.1858e-02 [1.2708e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.5475953e-01; self-cons'cy = 3.8531e-01 [1.2708e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -4.2635845e-01; self-cons'cy = 2.0203e-01 [2.0203e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7834719e-01; self-cons'cy = 4.2893e-01 [4.2893e-01 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -1.8477814e+01; self-cons'cy = 5.4741e-03 [1.0052e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2652159e-01; self-cons'cy = 8.1097e-02 [1.0052e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.1956406e-01; self-cons'cy = 3.2015e-01 [3.2015e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8692366e-01; self-cons'cy = 1.3742e-01 [1.3742e-01 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -1.8833744e+01; self-cons'cy = 9.5394e-03 [1.0247e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.7408320e-01; self-cons'cy = 9.2191e-02 [1.0247e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.1025821e-01; self-cons'cy = 1.7118e-01 [1.7118e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.7227533e-01; self-cons'cy = 2.6195e-02 [2.6195e-02 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -1.8688306e+01; self-cons'cy = 3.8761e-03 [7.2291e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1675966e-01; self-cons'cy = 3.3902e-02 [7.2291e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.9606164e-01; self-cons'cy = 2.3414e-02 [2.3414e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.9927162e-01; self-cons'cy = 4.7234e-02 [4.7234e-02 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -1.8684741e+01; self-cons'cy = 9.5412e-05 [5.8904e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1262000e-01; self-cons'cy = 2.5406e-03 [5.8904e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8142950e-01; self-cons'cy = 2.5337e-02 [2.5337e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8557015e-01; self-cons'cy = 2.3428e-02 [2.3428e-02 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -1.8722081e+01; self-cons'cy = 9.9823e-04 [6.5048e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2855752e-01; self-cons'cy = 9.7110e-03 [6.5048e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.9319561e-01; self-cons'cy = 2.0476e-02 [2.0476e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8750841e-01; self-cons'cy = 3.3822e-03 [3.3822e-03 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -1.8699832e+01; self-cons'cy = 5.9455e-04 [2.6199e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1964549e-01; self-cons'cy = 5.4071e-03 [2.6199e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8943404e-01; self-cons'cy = 6.4562e-03 [6.4562e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8943570e-01; self-cons'cy = 3.3405e-03 [3.3405e-03 for sym-block kappa = -2] Iteration 10 for symmetries ... 1s_1/2:: en [a.u.] = -1.8704710e+01; self-cons'cy = 1.3040e-04 [2.1594e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2135021e-01; self-cons'cy = 1.0388e-03 [2.1594e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8894639e-01; self-cons'cy = 8.4313e-04 [8.4313e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8781173e-01; self-cons'cy = 2.8133e-03 [2.8133e-03 for sym-block kappa = -2] Iteration 11 for symmetries ... 1s_1/2:: en [a.u.] = -1.8706896e+01; self-cons'cy = 5.8444e-05 [5.4703e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2237311e-01; self-cons'cy = 6.2231e-04 [5.4703e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.9011171e-01; self-cons'cy = 2.0124e-03 [2.0124e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8834522e-01; self-cons'cy = 9.2595e-04 [9.2595e-04 for sym-block kappa = -2] Iteration 12 for symmetries ... 1s_1/2:: en [a.u.] = -1.8704442e+01; self-cons'cy = 6.5598e-05 [3.7843e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2135765e-01; self-cons'cy = 6.1778e-04 [3.7843e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8951805e-01; self-cons'cy = 1.0242e-03 [1.0242e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8839930e-01; self-cons'cy = 9.3763e-05 [9.3763e-05 for sym-block kappa = -2] Iteration 13 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705419e+01; self-cons'cy = 2.6116e-05 [1.0426e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2173435e-01; self-cons'cy = 2.2927e-04 [1.0426e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8960659e-01; self-cons'cy = 1.5290e-04 [1.5290e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8824216e-01; self-cons'cy = 2.7251e-04 [2.7251e-04 for sym-block kappa = -2] Iteration 14 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705398e+01; self-cons'cy = 5.5908e-07 [2.5918e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2174232e-01; self-cons'cy = 4.8476e-06 [2.5918e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8969093e-01; self-cons'cy = 1.4559e-04 [1.4559e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8832483e-01; self-cons'cy = 1.4338e-04 [1.4338e-04 for sym-block kappa = -2] Iteration 15 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705183e+01; self-cons'cy = 5.7400e-06 [3.9869e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2164980e-01; self-cons'cy = 5.6301e-05 [3.9869e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8961920e-01; self-cons'cy = 1.2382e-04 [1.2382e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8831127e-01; self-cons'cy = 2.3509e-05 [2.3509e-05 for sym-block kappa = -2] Iteration 16 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705318e+01; self-cons'cy = 3.6099e-06 [1.8149e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2170403e-01; self-cons'cy = 3.3002e-05 [1.8149e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964306e-01; self-cons'cy = 4.1177e-05 [4.1177e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830025e-01; self-cons'cy = 1.9106e-05 [1.9106e-05 for sym-block kappa = -2] Iteration 17 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705287e+01; self-cons'cy = 8.5276e-07 [1.7140e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169268e-01; self-cons'cy = 6.9059e-06 [1.7140e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964529e-01; self-cons'cy = 3.8494e-06 [3.8494e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8831008e-01; self-cons'cy = 1.7049e-05 [1.7049e-05 for sym-block kappa = -2] Iteration 18 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705274e+01; self-cons'cy = 3.2292e-07 [3.1813e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2168694e-01; self-cons'cy = 3.4918e-06 [3.1813e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8963839e-01; self-cons'cy = 1.1913e-05 [1.1913e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830669e-01; self-cons'cy = 5.8885e-06 [5.8885e-06 for sym-block kappa = -2] Iteration 19 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705289e+01; self-cons'cy = 3.9411e-07 [2.3273e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169306e-01; self-cons'cy = 3.7230e-06 [2.3273e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964205e-01; self-cons'cy = 6.3254e-06 [6.3254e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830646e-01; self-cons'cy = 3.9733e-07 [3.9733e-07 for sym-block kappa = -2] Iteration 20 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705283e+01; self-cons'cy = 1.6375e-07 [6.7121e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169069e-01; self-cons'cy = 1.4442e-06 [6.7121e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964143e-01; self-cons'cy = 1.0623e-06 [1.0623e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830739e-01; self-cons'cy = 1.6108e-06 [1.6108e-06 for sym-block kappa = -2] Iteration 21 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705283e+01; self-cons'cy = 7.5581e-09 [1.3429e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169070e-01; self-cons'cy = 9.1570e-09 [1.3429e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964095e-01; self-cons'cy = 8.2776e-07 [8.2776e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830688e-01; self-cons'cy = 8.8389e-07 [8.8389e-07 for sym-block kappa = -2] Iteration 22 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705285e+01; self-cons'cy = 3.3515e-08 [2.3753e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169125e-01; self-cons'cy = 3.3045e-07 [2.3753e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964139e-01; self-cons'cy = 7.4885e-07 [7.4885e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830697e-01; self-cons'cy = 1.6099e-07 [1.6099e-07 for sym-block kappa = -2] Iteration 23 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705284e+01; self-cons'cy = 2.2072e-08 [1.1244e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169091e-01; self-cons'cy = 2.0242e-07 [1.1244e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964124e-01; self-cons'cy = 2.6131e-07 [2.6131e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830703e-01; self-cons'cy = 1.0808e-07 [1.4372e-07 for sym-block kappa = -2] Iteration 24 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705284e+01; self-cons'cy = 5.5814e-09 [1.3278e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169099e-01; self-cons'cy = 4.5816e-08 [1.3278e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964123e-01; self-cons'cy = 1.5842e-08 [9.2826e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830697e-01; self-cons'cy = 1.0296e-07 [2.5741e-07 for sym-block kappa = -2] >> Maximum number of SCF iterations = 24 is reached at accuracy 1.6108e-06 ... computations proceed. > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 2 + -7.484772832217911e+01 -2.036710428094903e+03 -2.036710428094903e+03 2 1 + -7.484696568317803e+01 -2.036689675630650e+03 -2.036689675630650e+03 3 0 + -7.484659193046470e+01 -2.036679505301292e+03 -2.036679505301292e+03 4 2 + -7.477019412198281e+01 -2.034600615043609e+03 -2.034600615043609e+03 5 0 + -7.465447015622559e+01 -2.031451605539624e+03 -2.031451605539624e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1 + 7.626390010813111e-04 2.075246425233075e-02 2.075246425233075e-02 3 0 + 3.737527133296226e-04 1.017032935843476e-02 1.017032935843476e-02 4 2 + 7.639780848188593e-02 2.078890257682628e+00 2.078890257682628e+00 5 0 + 1.157239657572262e-01 3.149009503985144e+00 3.149009503985144e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1 + 7.626390010813111e-04 2.075246425233075e-02 2.075246425233075e-02 3 0 + 1.136391714410934e-03 3.092279361076551e-02 3.092279361076551e-02 4 2 + 7.753420019629687e-02 2.109813051293394e+00 2.109813051293394e+00 5 0 + 1.932581659535231e-01 5.258822555278537e+00 5.258822555278537e+00 wc = Atomic representation: Oxygen 1s^2 2s^2 2p^4 ground configuration for Z = 8.0 and with reference configurations: 1s^2 2s^2 2p^4 , representation type: CI expansion with (additional) excitations: CI or RAS step with 0 (explicitly) frozen shell(s): Shell[] ... and virtual excitations ... and the current settings: eeInteractionCI: CoulombInteraction() levelSelectionCI: Inactive LevelSelection. nuclearModel: Fermi nuclear model for Z = 8.0 with mass = 16.32, radius R = 2.6905393158807427 fm and nuclear spin I = 0, dipole moment mu = 0.0 and quadrupole moment Q = 0.0. grid: Radial grid: rnt = 2.0e-6, h = 0.05, hp = 0.0, NoPoints = 392, ntL = 69, ntS = 71, orderL = 7, orderS = 8, nsL = 62, nsS = 63, mesh = JenaAtomicCalculator.Radial.MeshGL(), ... r: [1.780504510281598e-8, 9.042759120177923e-8, 2.0787030685460475e-7] ... [564.4302351890452, 595.097239730825, 614.0606632064549] wr: [4.530145586285996e-8, 9.785739473901763e-8, 1.3358660616640612e-7] ... [34.882547080539766, 25.552825070730517, 11.829256033233948] tS: [0.0, 0.0, 0.0] ... [618.7099715607404, 618.7099715607404, 618.7099715607404] *** Level symmetries = LevelSymmetry[0 +, 1 +, 2 +] >> include Configuration: 1s^2 2s^2 2p^4 (Re-) Define a new standard subshell list. Construct a basis with 5 CSF for J^P = LevelSymmetry[0 +, 1 +, 2 +] with 4 subshells: 1s_1/2 2s_1/2 ... 2p_1/2 2p_3/2 > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 2 + -7.484772832217911e+01 -2.036710428094903e+03 -2.036710428094903e+03 2 1 + -7.484696568317803e+01 -2.036689675630650e+03 -2.036689675630650e+03 3 0 + -7.484659193046470e+01 -2.036679505301292e+03 -2.036679505301292e+03 4 2 + -7.477019412198281e+01 -2.034600615043609e+03 -2.034600615043609e+03 5 0 + -7.465447015622559e+01 -2.031451605539624e+03 -2.031451605539624e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1 + 7.626390010813111e-04 2.075246425233075e-02 2.075246425233075e-02 3 0 + 3.737527133296226e-04 1.017032935843476e-02 1.017032935843476e-02 4 2 + 7.639780848188593e-02 2.078890257682628e+00 2.078890257682628e+00 5 0 + 1.157239657572262e-01 3.149009503985144e+00 3.149009503985144e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1 + 7.626390010813111e-04 2.075246425233075e-02 2.075246425233075e-02 3 0 + 1.136391714410934e-03 3.092279361076551e-02 3.092279361076551e-02 4 2 + 7.753420019629687e-02 2.109813051293394e+00 2.109813051293394e+00 5 0 + 1.932581659535231e-01 5.258822555278537e+00 5.258822555278537e+00 testRepresentation_MeanFieldBasis_CiExpansion():: [OK] >>> include Configuration: 1s_1/2^2 2s_1/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -8.00170450e+00 -8.00170477e+00 +3.35392339e-08 2 2s_1/2 -2.00053315e+00 -2.00053275e+00 -2.00516239e-07 3 3s_1/2 -8.89088286e-01 -8.89078304e-01 -1.12274715e-05 4 4s_1/2 -5.00125289e-01 -5.00086566e-01 -7.74269251e-05 5 5s_1/2 -3.20136366e-01 -3.20046366e-01 -2.81131542e-04 6 6s_1/2 -2.25879477e-01 -2.22249843e-01 -1.60688946e-02 7 7s_1/2 -2.22105582e-01 -1.63283055e-01 -2.64840382e-01 : : 61 61s_1/2 +1.07256318e+09 -2.14998935e-03 +1.00000000e+00 62 62s_1/2 +2.82420044e+09 -2.08119371e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.9248281e+00; self-cons'cy = 4.6464e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5794441e-02; self-cons'cy = 9.8433e-01 [1.0000e+02 for sym-block kappa = -1] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -4.2214364e+00; self-cons'cy = 1.8144e-01 [1.1417e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.2853096e-01; self-cons'cy = 9.0826e-01 [1.1417e+00 for sym-block kappa = -1] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.6476991e+00; self-cons'cy = 7.2910e-02 [1.1380e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3016501e-01; self-cons'cy = 4.3246e-01 [1.1380e+00 for sym-block kappa = -1] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.8485924e+00; self-cons'cy = 2.6799e-02 [1.0984e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.8645158e-01; self-cons'cy = 1.7778e-01 [1.0984e+00 for sym-block kappa = -1] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.7725134e+00; self-cons'cy = 9.9827e-03 [1.0802e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6396383e-01; self-cons'cy = 6.4175e-02 [1.0802e+00 for sym-block kappa = -1] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -3.8009421e+00; self-cons'cy = 3.7537e-03 [1.2838e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.7220391e-01; self-cons'cy = 2.4512e-02 [1.2838e-01 for sym-block kappa = -1] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -3.7902369e+00; self-cons'cy = 1.4102e-03 [7.9059e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6907502e-01; self-cons'cy = 9.1681e-03 [7.9059e-02 for sym-block kappa = -1] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -3.7942590e+00; self-cons'cy = 5.3030e-04 [2.1486e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.7024752e-01; self-cons'cy = 3.4554e-03 [2.1486e-02 for sym-block kappa = -1] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -3.7927463e+00; self-cons'cy = 1.9939e-04 [8.8840e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6980600e-01; self-cons'cy = 1.2984e-03 [8.8840e-03 for sym-block kappa = -1] Iteration 10 for symmetries ... 1s_1/2:: en [a.u.] = -3.7933150e+00; self-cons'cy = 7.4975e-05 [3.2124e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6997195e-01; self-cons'cy = 4.8839e-04 [3.2124e-03 for sym-block kappa = -1] Iteration 11 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931012e+00; self-cons'cy = 2.8193e-05 [1.2253e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6990953e-01; self-cons'cy = 1.8363e-04 [1.2253e-03 for sym-block kappa = -1] Iteration 12 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931816e+00; self-cons'cy = 1.0601e-05 [4.5902e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6993300e-01; self-cons'cy = 6.9054e-05 [4.5902e-04 for sym-block kappa = -1] Iteration 13 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931514e+00; self-cons'cy = 3.9864e-06 [1.7377e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992418e-01; self-cons'cy = 2.5966e-05 [1.7377e-04 for sym-block kappa = -1] Iteration 14 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931627e+00; self-cons'cy = 1.4990e-06 [6.5500e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992749e-01; self-cons'cy = 9.7642e-06 [6.5500e-05 for sym-block kappa = -1] Iteration 15 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931584e+00; self-cons'cy = 5.6368e-07 [2.4005e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992625e-01; self-cons'cy = 3.6716e-06 [2.4005e-05 for sym-block kappa = -1] Iteration 16 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931601e+00; self-cons'cy = 2.1196e-07 [8.8523e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992672e-01; self-cons'cy = 1.3806e-06 [8.8523e-06 for sym-block kappa = -1] Iteration 17 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931594e+00; self-cons'cy = 7.9704e-08 [3.5374e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992654e-01; self-cons'cy = 5.1915e-07 [3.5374e-06 for sym-block kappa = -1] Iteration 18 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931597e+00; self-cons'cy = 2.9967e-08 [1.1631e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992661e-01; self-cons'cy = 1.9526e-07 [1.1631e-06 for sym-block kappa = -1] Iteration 19 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931596e+00; self-cons'cy = 1.1265e-08 [8.3772e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992658e-01; self-cons'cy = 7.3441e-08 [8.3772e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.457046945160687e+01 -3.964826687402922e+02 -3.964826687402922e+02 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -8.00170450e+00 -8.00170477e+00 +3.35392339e-08 2 2s_1/2 -2.00053315e+00 -2.00053275e+00 -2.00516239e-07 3 3s_1/2 -8.89088286e-01 -8.89078304e-01 -1.12274715e-05 4 4s_1/2 -5.00125289e-01 -5.00086566e-01 -7.74269251e-05 5 5s_1/2 -3.20136366e-01 -3.20046366e-01 -2.81131542e-04 6 6s_1/2 -2.25879477e-01 -2.22249843e-01 -1.60688946e-02 7 7s_1/2 -2.22105582e-01 -1.63283055e-01 -2.64840382e-01 : : 61 61s_1/2 +1.07256318e+09 -2.14998935e-03 +1.00000000e+00 62 62s_1/2 +2.82420044e+09 -2.08119371e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -2.00053285e+00 -2.00053275e+00 -4.91027943e-08 2 3p_1/2 -8.89081795e-01 -8.89078304e-01 -3.92631609e-06 3 4p_1/2 -5.00096724e-01 -5.00086566e-01 -2.03124595e-05 4 5p_1/2 -3.20065208e-01 -3.20046366e-01 -5.88693184e-05 5 6p_1/2 -2.22291129e-01 -2.22249843e-01 -1.85729488e-04 6 7p_1/2 -1.62728776e-01 -1.63283055e-01 +3.40615298e-03 7 8p_1/2 -1.58069619e-01 -1.25012068e-01 -2.09132854e-01 : : 61 62p_1/2 +1.31163610e+09 -2.08119371e-03 +1.00000000e+00 62 63p_1/2 +6.75311900e+09 -2.01564800e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -2.00010669e+00 -2.00010651e+00 -8.86324315e-08 2 3p_3/2 -8.88957967e-01 -8.88952009e-01 -6.70216627e-06 3 4p_3/2 -5.00076700e-01 -5.00033286e-01 -8.68156240e-05 4 5p_3/2 -3.20164770e-01 -3.20019087e-01 -4.55022682e-04 5 6p_3/2 -2.56383197e-01 -2.22234057e-01 -1.33195701e-01 6 7p_3/2 -2.22304039e-01 -1.63273114e-01 -2.65541398e-01 7 8p_3/2 -1.62826763e-01 -1.25005409e-01 -2.32279713e-01 : : 61 62p_3/2 +1.75389888e+09 -2.08117941e-03 +1.00000000e+00 62 63p_3/2 +6.75823517e+09 -2.01563437e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_3/2 -8.88952635e-01 -8.88952009e-01 -7.04845264e-07 2 4d_3/2 -5.00036446e-01 -5.00033286e-01 -6.31977250e-06 3 5d_3/2 -3.20014801e-01 -3.20019087e-01 +1.33930254e-05 4 6d_3/2 -2.22148335e-01 -2.22234057e-01 +3.85879612e-04 5 7d_3/2 -1.62874062e-01 -1.63273114e-01 +2.45006120e-03 6 8d_3/2 -1.39476495e-01 -1.25005409e-01 -1.03752867e-01 7 9d_3/2 -1.18763834e-01 -9.87693283e-02 -1.68355173e-01 : : 61 63d_3/2 +2.08707056e+09 -2.01563437e-03 +1.00000000e+00 62 64d_3/2 +1.09937155e+10 -1.95313770e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_5/2 -8.88911100e-01 -8.88909927e-01 -1.31919149e-06 2 4d_5/2 -5.00036303e-01 -5.00015532e-01 -4.15381574e-05 3 5d_5/2 -3.20146757e-01 -3.20009998e-01 -4.27176265e-04 4 6d_5/2 -2.40808046e-01 -2.22228797e-01 -7.71537723e-02 5 7d_5/2 -2.21130936e-01 -1.63269801e-01 -2.61660064e-01 6 8d_5/2 -1.61819724e-01 -1.25003190e-01 -2.27515741e-01 7 9d_5/2 -1.20255205e-01 -9.87677697e-02 -1.78681958e-01 : : 61 63d_5/2 +2.56228007e+09 -2.01562983e-03 +1.00000000e+00 62 64d_5/2 +1.10008246e+10 -1.95313336e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 4f_5/2 -5.00016163e-01 -5.00015532e-01 -1.26131002e-06 2 5f_5/2 -3.20007908e-01 -3.20009998e-01 +6.52877175e-06 3 6f_5/2 -2.22183978e-01 -2.22228797e-01 +2.01720936e-04 4 7f_5/2 -1.63262816e-01 -1.63269801e-01 +4.27875933e-05 5 8f_5/2 -1.30786775e-01 -1.25003190e-01 -4.42214846e-02 6 9f_5/2 -1.12855545e-01 -9.87677697e-02 -1.24830154e-01 7 10f_5/2 -8.59989387e-02 -8.00017609e-02 -6.97354857e-02 : : 61 64f_5/2 +2.91960392e+09 -1.95313336e-03 +1.00000000e+00 62 65f_5/2 +1.52897072e+10 -1.89349911e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 4f_7/2 -5.00009876e-01 -5.00006657e-01 -6.43841034e-06 2 5f_7/2 -3.20047098e-01 -3.20005453e-01 -1.30120822e-04 3 6f_7/2 -2.22846500e-01 -2.22226167e-01 -2.78367746e-03 4 7f_7/2 -1.88956340e-01 -1.63268145e-01 -1.35947779e-01 5 8f_7/2 -1.59439687e-01 -1.25002080e-01 -2.15991433e-01 6 9f_7/2 -1.18670064e-01 -9.87669905e-02 -1.67717730e-01 7 10f_7/2 -8.75680144e-02 -8.00011929e-02 -8.64107932e-02 : : 61 64f_7/2 +3.40515349e+09 -1.95313120e-03 +1.00000000e+00 62 65f_7/2 +1.52974094e+10 -1.89349704e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ++ Compute the orbitals, orbitals and multiplet for step 1 ... -------------------------------------------------------------- >> include Configuration: 1s^2 2s^2 >> include Configuration: 1s^2 2s^1 2p^1 >> include Configuration: 1s^2 2p^2 (Re-) Define a new standard subshell list. Construct a basis with 3 CSF for J^P = LevelSymmetry[0 +] with 4 subshells: 1s_1/2 2s_1/2 ... 2p_1/2 2p_3/2 >> Start orbital 1s_1/2 is taken from prior basis >> Start orbital 2s_1/2 is taken from prior basis >> Start orbital 2p_1/2 is taken from hydrogenic orbitals >> Start orbital 2p_3/2 is taken from hydrogenic orbitals > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.457486690032898e+01 -3.966023294149728e+02 -3.966023294149728e+02 2 0 + -1.327725912219996e+01 -3.612926232617494e+02 -3.612926232617494e+02 3 0 + -1.306162306821562e+01 -3.554248673569519e+02 -3.554248673569519e+02 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 + 1.297607778129022e+00 3.530970615322332e+01 3.530970615322332e+01 3 0 + 2.156360539843440e-01 5.867755904797544e+00 5.867755904797544e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 1.297607778129022e+00 3.530970615322332e+01 3.530970615322332e+01 3 0 + 1.513243832113366e+00 4.117746205802087e+01 4.117746205802087e+01 ++ Compute the orbitals, orbitals and multiplet for step 2 ... -------------------------------------------------------------- >> include Configuration: 1s^2 2s^2 >> include Configuration: 1s^2 2s^1 2p^1 >> include Configuration: 1s^2 2s^1 3s^1 >> include Configuration: 1s^2 2s^1 3p^1 >> include Configuration: 1s^2 2s^1 3d^1 >> include Configuration: 1s^2 2p^2 >> include Configuration: 1s^2 2p^1 3s^1 >> include Configuration: 1s^2 2p^1 3p^1 >> include Configuration: 1s^2 2p^1 3d^1 >> include Configuration: 1s^2 3s^2 >> include Configuration: 1s^2 3s^1 3p^1 >> include Configuration: 1s^2 3s^1 3d^1 >> include Configuration: 1s^2 3p^2 >> include Configuration: 1s^2 3p^1 3d^1 >> include Configuration: 1s^2 3d^2 (Re-) Define a new standard subshell list. Construct a basis with 11 CSF for J^P = LevelSymmetry[0 +] with 9 subshells: 1s_1/2 2s_1/2 ... 3d_3/2 3d_5/2 >> Start orbital 1s_1/2 is taken from prior basis >> Start orbital 2s_1/2 is taken from prior basis >> Start orbital 2p_1/2 is taken from prior basis >> Start orbital 2p_3/2 is taken from prior basis >> Start orbital 3s_1/2 is taken from hydrogenic orbitals >> Start orbital 3p_1/2 is taken from hydrogenic orbitals >> Start orbital 3p_3/2 is taken from hydrogenic orbitals >> Start orbital 3d_3/2 is taken from hydrogenic orbitals >> Start orbital 3d_5/2 is taken from hydrogenic orbitals > Compute CI matrix of dimension 11 x 11 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.472659267939899e+01 -4.007309981584319e+02 -4.007309981584319e+02 2 0 + -1.432514801587675e+01 -3.898071324536594e+02 -3.898071324536594e+02 3 0 + -1.422751079142914e+01 -3.871502882492941e+02 -3.871502882492941e+02 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 + 4.014446635222342e-01 1.092386570477253e+01 1.092386570477253e+01 3 0 + 9.763722444760958e-02 2.656844204365286e+00 2.656844204365286e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 4.014446635222342e-01 1.092386570477253e+01 1.092386570477253e+01 3 0 + 4.990818879698438e-01 1.358070990913781e+01 1.358070990913781e+01 ++ Compute the orbitals, orbitals and multiplet for step 3 ... -------------------------------------------------------------- >> include Configuration: 1s^2 2s^2 >> include Configuration: 1s^2 2s^1 2p^1 >> include Configuration: 1s^2 2s^1 3s^1 >> include Configuration: 1s^2 2s^1 3p^1 >> include Configuration: 1s^2 2s^1 3d^1 >> include Configuration: 1s^2 2s^1 4s^1 >> include Configuration: 1s^2 2s^1 4p^1 >> include Configuration: 1s^2 2s^1 4d^1 >> include Configuration: 1s^2 2s^1 4f^1 >> include Configuration: 1s^2 2p^2 >> include Configuration: 1s^2 2p^1 3s^1 >> include Configuration: 1s^2 2p^1 3p^1 >> include Configuration: 1s^2 2p^1 3d^1 >> include Configuration: 1s^2 2p^1 4s^1 >> include Configuration: 1s^2 2p^1 4p^1 >> include Configuration: 1s^2 2p^1 4d^1 >> include Configuration: 1s^2 2p^1 4f^1 >> include Configuration: 1s^2 3s^2 >> include Configuration: 1s^2 3s^1 3p^1 >> include Configuration: 1s^2 3s^1 3d^1 >> include Configuration: 1s^2 3s^1 4s^1 >> include Configuration: 1s^2 3s^1 4p^1 >> include Configuration: 1s^2 3s^1 4d^1 >> include Configuration: 1s^2 3s^1 4f^1 >> include Configuration: 1s^2 3p^2 >> include Configuration: 1s^2 3p^1 3d^1 >> include Configuration: 1s^2 3p^1 4s^1 >> include Configuration: 1s^2 3p^1 4p^1 >> include Configuration: 1s^2 3p^1 4d^1 >> include Configuration: 1s^2 3p^1 4f^1 >> include Configuration: 1s^2 3d^2 >> include Configuration: 1s^2 3d^1 4s^1 >> include Configuration: 1s^2 3d^1 4p^1 >> include Configuration: 1s^2 3d^1 4d^1 >> include Configuration: 1s^2 3d^1 4f^1 >> include Configuration: 1s^2 4s^2 >> include Configuration: 1s^2 4s^1 4p^1 >> include Configuration: 1s^2 4s^1 4d^1 >> include Configuration: 1s^2 4s^1 4f^1 >> include Configuration: 1s^2 4p^2 >> include Configuration: 1s^2 4p^1 4d^1 >> include Configuration: 1s^2 4p^1 4f^1 >> include Configuration: 1s^2 4d^2 >> include Configuration: 1s^2 4d^1 4f^1 >> include Configuration: 1s^2 4f^2 (Re-) Define a new standard subshell list. Construct a basis with 26 CSF for J^P = LevelSymmetry[0 +] with 16 subshells: 1s_1/2 2s_1/2 ... 4f_5/2 4f_7/2 >> Start orbital 1s_1/2 is taken from prior basis >> Start orbital 2s_1/2 is taken from prior basis >> Start orbital 2p_1/2 is taken from prior basis >> Start orbital 2p_3/2 is taken from prior basis >> Start orbital 3s_1/2 is taken from prior basis >> Start orbital 3p_1/2 is taken from prior basis >> Start orbital 3p_3/2 is taken from prior basis >> Start orbital 3d_3/2 is taken from prior basis >> Start orbital 3d_5/2 is taken from prior basis >> Start orbital 4s_1/2 is taken from hydrogenic orbitals >> Start orbital 4p_1/2 is taken from hydrogenic orbitals >> Start orbital 4p_3/2 is taken from hydrogenic orbitals >> Start orbital 4d_3/2 is taken from hydrogenic orbitals >> Start orbital 4d_5/2 is taken from hydrogenic orbitals >> Start orbital 4f_5/2 is taken from hydrogenic orbitals >> Start orbital 4f_7/2 is taken from hydrogenic orbitals > Compute CI matrix of dimension 26 x 26 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.475408015674568e+01 -4.014789705152288e+02 -4.014789705152288e+02 2 0 + -1.442712148008892e+01 -3.925819717521334e+02 -3.925819717521334e+02 3 0 + -1.433723577592168e+01 -3.901360571583589e+02 -3.901360571583589e+02 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 + 3.269586766567603e-01 8.896998763095466e+00 8.896998763095466e+00 3 0 + 8.988570416724428e-02 2.445914593774407e+00 2.445914593774407e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 3.269586766567603e-01 8.896998763095466e+00 8.896998763095466e+00 3 0 + 4.168443808240045e-01 1.134291335686987e+01 1.134291335686987e+01 testRepresentation_RasExpansion():: [OK] >>> include Configuration: 1s_1/2^2 2s_1/2^1 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.20273041e+01 -3.20273113e+01 +2.21938550e-07 2 2s_1/2 -8.00853629e+00 -8.00853549e+00 -9.94592001e-08 3 3s_1/2 -3.55862908e+00 -3.55858988e+00 -1.10148569e-05 4 4s_1/2 -2.00152525e+00 -2.00138659e+00 -6.92760970e-05 5 5s_1/2 -1.28111908e+00 -1.28074263e+00 -2.93845519e-04 6 6s_1/2 -9.06949402e-01 -8.89331258e-01 -1.94257187e-02 7 7s_1/2 -8.85252488e-01 -6.53345470e-01 -2.61967090e-01 : : 61 61s_1/2 +1.07249661e+09 -8.60031375e-03 +1.00000000e+00 62 62s_1/2 +2.82417208e+09 -8.32511428e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.3342468e+01; self-cons'cy = 1.5685e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.4439152e+00; self-cons'cy = 2.8626e-01 [1.0000e+02 for sym-block kappa = -1] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.3855553e+01; self-cons'cy = 1.0871e-02 [4.0135e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5528803e+00; self-cons'cy = 1.2112e-02 [4.0135e-02 for sym-block kappa = -1] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.3817594e+01; self-cons'cy = 7.9623e-04 [2.2846e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5466860e+00; self-cons'cy = 6.8073e-04 [2.2846e-03 for sym-block kappa = -1] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.3820735e+01; self-cons'cy = 6.5941e-05 [1.7483e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5471852e+00; self-cons'cy = 5.4896e-05 [1.7483e-04 for sym-block kappa = -1] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.3820473e+01; self-cons'cy = 5.5012e-06 [1.4508e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5471439e+00; self-cons'cy = 4.5430e-06 [1.4508e-05 for sym-block kappa = -1] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.3820495e+01; self-cons'cy = 4.6031e-07 [1.2097e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5471473e+00; self-cons'cy = 3.7952e-07 [1.2097e-06 for sym-block kappa = -1] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.3820493e+01; self-cons'cy = 3.8535e-08 [1.0123e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5471470e+00; self-cons'cy = 3.1762e-08 [1.0123e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -6.422556030878201e+01 -1.747666513913058e+03 -1.747666513913058e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] Compute an approximate Green function expansion ... --------------------------------------------------- >> From configurations generated shell list Shell[1s, 2s, 2p, 3s, 3p, 3d, 4s, 4p, 4d, 5s, 5p, 5d] >> Generate Configuration: 1s^2 2s^1 >> Generate Configuration: 1s^1 2s^2 >> Generate Configuration: 1s^1 2s^1 2p^1 >> Generate Configuration: 1s^1 2s^1 3s^1 >> Generate Configuration: 1s^1 2s^1 3p^1 >> Generate Configuration: 1s^1 2s^1 3d^1 >> Generate Configuration: 1s^1 2s^1 4s^1 >> Generate Configuration: 1s^1 2s^1 4p^1 >> Generate Configuration: 1s^1 2s^1 4d^1 >> Generate Configuration: 1s^1 2s^1 5s^1 >> Generate Configuration: 1s^1 2s^1 5p^1 >> Generate Configuration: 1s^1 2s^1 5d^1 .. >> Generate Configuration: 1s^2 2s^1 >> Generate Configuration: 1s^2 2s^0 2p^1 >> Generate Configuration: 1s^2 2s^0 3s^1 >> Generate Configuration: 1s^2 2s^0 3p^1 >> Generate Configuration: 1s^2 2s^0 3d^1 >> Generate Configuration: 1s^2 2s^0 4s^1 >> Generate Configuration: 1s^2 2s^0 4p^1 >> Generate Configuration: 1s^2 2s^0 4d^1 >> Generate Configuration: 1s^2 2s^0 5s^1 >> Generate Configuration: 1s^2 2s^0 5p^1 >> Generate Configuration: 1s^2 2s^0 5d^1 >> Number of generated configurations for JenaAtomicCalculator.Basics.DeExciteSingleElectron() is: 23 (before) and 22 (after). Generated list of (non-relativistic) configurations that contribute to the representation: ------------------------------------------------------------------------------------- (1) 1s^2 2s^1 (2) 1s^1 2s^2 (3) 1s^1 2s^1 2p^1 (4) 1s^1 2s^1 3s^1 (5) 1s^1 2s^1 3p^1 (6) 1s^1 2s^1 3d^1 (7) 1s^1 2s^1 4s^1 (8) 1s^1 2s^1 4p^1 (9) 1s^1 2s^1 4d^1 (10) 1s^1 2s^1 5s^1 (11) 1s^1 2s^1 5p^1 (12) 1s^1 2s^1 5d^1 (13) 1s^2 2s^0 2p^1 (14) 1s^2 2s^0 3s^1 (15) 1s^2 2s^0 3p^1 (16) 1s^2 2s^0 3d^1 (17) 1s^2 2s^0 4s^1 (18) 1s^2 2s^0 4p^1 (19) 1s^2 2s^0 4d^1 (20) 1s^2 2s^0 5s^1 (21) 1s^2 2s^0 5p^1 (22) 1s^2 2s^0 5d^1 ------------------------------------------------------------------------------------- >> Generated subshell list: Subshell[1s_1/2, 2s_1/2, 2p_1/2, 2p_3/2, 3s_1/2, 3p_1/2, 3p_3/2, 3d_3/2, 3d_5/2, 4s_1/2, 4p_1/2, 4p_3/2, 4d_3/2, 4d_5/2, 5s_1/2, 5p_1/2, 5p_3/2, 5d_3/2, 5d_5/2] >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -2.38204934e+01 -3.20273113e+01 +3.44527620e-01 2 2s_1/2 -4.54714704e+00 -8.00853549e+00 +7.61222019e-01 3 3s_1/2 -1.75788356e+00 -3.55858988e+00 +1.02436041e+00 4 4s_1/2 -9.20331740e-01 -2.00138659e+00 +1.17463606e+00 5 5s_1/2 -5.68196509e-01 -1.28074263e+00 +1.25404874e+00 6 6s_1/2 -3.87430006e-01 -8.89331258e-01 +1.29546303e+00 7 7s_1/2 -3.58963933e-01 -6.53345470e-01 +8.20086673e-01 : : 61 61s_1/2 +1.07249659e+09 -8.60031375e-03 +1.00000000e+00 62 62s_1/2 +2.82417206e+09 -8.32511428e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -4.11670664e+00 -8.00853549e+00 +9.45374347e-01 2 3p_1/2 -1.63958616e+00 -3.55858988e+00 +1.17041957e+00 3 4p_1/2 -8.73026708e-01 -2.00138659e+00 +1.29246892e+00 4 5p_1/2 -5.44887614e-01 -1.28074263e+00 +1.35047117e+00 5 6p_1/2 -3.73698807e-01 -8.89331258e-01 +1.37980759e+00 6 7p_1/2 -2.76310290e-01 -6.53345470e-01 +1.36453543e+00 7 8p_1/2 -2.23298546e-01 -5.00193270e-01 +1.24002027e+00 : : 61 62p_1/2 +1.31156324e+09 -8.32511428e-03 +1.00000000e+00 62 63p_1/2 +6.75310417e+09 -8.06291560e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -4.11359972e+00 -8.00170477e+00 +9.45183129e-01 2 3p_3/2 -1.63874344e+00 -3.55656582e+00 +1.17030057e+00 3 4p_3/2 -8.72722229e-01 -2.00053275e+00 +1.29229036e+00 4 5p_3/2 -5.44777769e-01 -1.28030549e+00 +1.35014270e+00 5 6p_3/2 -4.23360657e-01 -8.89078304e-01 +1.10004942e+00 6 7p_3/2 -3.71101681e-01 -6.53186184e-01 +7.60127256e-01 7 8p_3/2 -2.71051851e-01 -5.00086566e-01 +8.44984877e-01 : : 61 62p_3/2 +1.75382701e+09 -8.32488513e-03 +1.00000000e+00 62 63p_3/2 +6.75821820e+09 -8.06269719e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_3/2 -1.56852549e+00 -3.55656582e+00 +1.26745810e+00 2 4d_3/2 -8.39345652e-01 -2.00053275e+00 +1.38344328e+00 3 5d_3/2 -5.27873615e-01 -1.28030549e+00 +1.42540157e+00 4 6d_3/2 -3.63465350e-01 -8.89078304e-01 +1.44611571e+00 5 7d_3/2 -2.67208910e-01 -6.53186184e-01 +1.44447756e+00 6 8d_3/2 -2.04714773e-01 -5.00086566e-01 +1.44284552e+00 7 9d_3/2 -1.74209149e-01 -3.95124084e-01 +1.26810180e+00 : : 61 63d_3/2 +2.08699680e+09 -8.06269719e-03 +1.00000000e+00 62 64d_3/2 +1.09937016e+10 -7.81270318e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_5/2 -1.56833508e+00 -3.55589222e+00 +1.26730389e+00 2 4d_5/2 -8.39281093e-01 -2.00024856e+00 +1.38328800e+00 3 5d_5/2 -5.27879856e-01 -1.28015999e+00 +1.42509725e+00 4 6d_5/2 -4.09437202e-01 -8.88994098e-01 +1.17125873e+00 5 7d_5/2 -3.61879469e-01 -6.53133157e-01 +8.04836177e-01 6 8d_5/2 -2.65094563e-01 -5.00051042e-01 +8.86311953e-01 7 9d_5/2 -2.01880539e-01 -3.95099135e-01 +9.57093721e-01 : : 61 63d_5/2 +2.56220722e+09 -8.06262446e-03 +1.00000000e+00 62 64d_5/2 +1.10008094e+10 -7.81263382e-03 +1.00000000e+00 ----------------------------------------------------------------------------- (Re-) Define a new standard subshell list. Relativistic orbitals: -------------------------------------------------------------- Subshell isBound energy [a.u.] energy [eV] st-grid -------------------------------------------------------------- 1s_1/2 true -2.38204934e+01 -6.48188640e+02 true 2s_1/2 true -4.54714704e+00 -1.23734173e+02 true 2p_1/2 true -4.11670664e+00 -1.12021294e+02 true 2p_3/2 true -4.11359972e+00 -1.11936750e+02 true 3s_1/2 true -1.75788356e+00 -4.78344482e+01 true 3p_1/2 true -1.63958616e+00 -4.46154119e+01 true 3p_3/2 true -1.63874344e+00 -4.45924804e+01 true 3d_3/2 true -1.56852549e+00 -4.26817526e+01 true 3d_5/2 true -1.56833508e+00 -4.26765712e+01 true 4s_1/2 true -9.20331740e-01 -2.50435022e+01 true 4p_1/2 true -8.73026708e-01 -2.37562668e+01 true 4p_3/2 true -8.72722229e-01 -2.37479814e+01 true 4d_3/2 true -8.39345652e-01 -2.28397585e+01 true 4d_5/2 true -8.39281093e-01 -2.28380018e+01 true 5s_1/2 true -5.68196509e-01 -1.54614145e+01 true 5p_1/2 true -5.44887614e-01 -1.48271472e+01 true 5p_3/2 true -5.44777769e-01 -1.48241582e+01 true 5d_3/2 true -5.27873615e-01 -1.43641727e+01 true 5d_5/2 true -5.27879856e-01 -1.43643425e+01 true -------------------------------------------------------------- (Re-) Define a new standard subshell list. Construct a basis with 14 CSF for J^P = LevelSymmetry[1/2 +] with 19 subshells: 1s_1/2 2s_1/2 ... 5d_3/2 5d_5/2 Compute a Green function multiplet in JenaAtomicCalculator.AtomicState.DampedSpaceCI() approach ... done with 14 levels (Re-) Define a new standard subshell list. Construct a basis with 15 CSF for J^P = LevelSymmetry[3/2 +] with 19 subshells: 1s_1/2 2s_1/2 ... 5d_3/2 5d_5/2 Compute a Green function multiplet in JenaAtomicCalculator.AtomicState.DampedSpaceCI() approach ... done with 15 levels Green function channels: Channel with 1/2 + symmetry, 14 levels and energies [Hartree]: -64.08035749826283 ... -38.74221459895539 Channel with 3/2 + symmetry, 15 levels and energies [Hartree]: -61.0161972851005 ... -38.705033122756085 testRepresentation_GreenExpansion():: [OK] Test the module MultipoleMoment ... Atomic computation: xx for Z = 26.0, for the process (comp.process) and with the initial configurations: final configurations: nuclearModel: Fermi nuclear model for Z = 26.0 with mass = 55.38, radius R = 3.756573410087755 fm and nuclear spin I = 0, dipole moment mu = 0.0 and quadrupole moment Q = 0.0. grid: Radial grid: rnt = 2.0e-6, h = 0.05, hp = 0.0, NoPoints = 392, ntL = 69, ntS = 71, orderL = 7, orderS = 8, nsL = 62, nsS = 63, mesh = JenaAtomicCalculator.Radial.MeshGL(), ... r: [1.780504510281598e-8, 9.042759120177923e-8, 2.0787030685460475e-7] ... [564.4302351890452, 595.097239730825, 614.0606632064549] wr: [4.530145586285996e-8, 9.785739473901763e-8, 1.3358660616640612e-7] ... [34.882547080539766, 25.552825070730517, 11.829256033233948] tS: [0.0, 0.0, 0.0] ... [618.7099715607404, 618.7099715607404, 618.7099715607404] processSettings: multipoles: EmMultipole[E1] gauges: UseGauge[UseCoulomb] calcAnisotropy: false printBefore: false corePolarization: Do not apply core-polarization with alpha_c = 0.0 a.u., r_c = 0.0 a.u. core shells = Shell[]. lineSelection: Inactive LineSelection. photonEnergyShift: 0.0 mimimumPhotonEnergy: 0.0 maximumPhotonEnergy: 10000.0 >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -3.2027330e+02; self-cons'cy = 3.1484e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4342758e+01; self-cons'cy = 6.9619e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.2929954e+01; self-cons'cy = 7.9161e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2303231e+01; self-cons'cy = 7.8906e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -3.2079648e+02; self-cons'cy = 8.1611e-04 [5.1242e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4510319e+01; self-cons'cy = 1.1257e-03 [5.1242e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3089983e+01; self-cons'cy = 1.0959e-03 [3.1315e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2413467e+01; self-cons'cy = 7.6174e-04 [4.6264e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078500e+02; self-cons'cy = 1.7888e-05 [1.0315e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506895e+01; self-cons'cy = 2.2978e-05 [1.0315e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087082e+01; self-cons'cy = 1.9845e-05 [5.6618e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411695e+01; self-cons'cy = 1.2234e-05 [7.5157e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078522e+02; self-cons'cy = 3.4194e-07 [1.9131e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506958e+01; self-cons'cy = 4.2391e-07 [1.9131e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087131e+01; self-cons'cy = 3.3476e-07 [9.5416e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411724e+01; self-cons'cy = 1.9633e-07 [1.2050e-06 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078522e+02; self-cons'cy = 6.0568e-09 [3.3194e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506957e+01; self-cons'cy = 7.3360e-09 [3.3194e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087130e+01; self-cons'cy = 5.4718e-09 [1.5594e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411723e+01; self-cons'cy = 3.1403e-09 [1.9275e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -4.981534059987703e+02 -1.355544462781032e+04 -1.355544462781032e+04 2 1/2 - -4.977445256232412e+02 -1.354431842607580e+04 -1.354431842607580e+04 3 3/2 - -4.975618493005817e+02 -1.353934755014319e+04 -1.353934755014319e+04 4 5/2 - -4.971293943877188e+02 -1.352757985257304e+04 -1.352757985257304e+04 5 1/2 - -4.962326644484178e+02 -1.350317858803903e+04 -1.350317858803903e+04 6 3/2 - -4.958583683060946e+02 -1.349299347122447e+04 -1.349299347122447e+04 7 1/2 + -4.956038652097752e+02 -1.348606808922724e+04 -1.348606808922724e+04 8 1/2 - -4.953367084328207e+02 -1.347879838304167e+04 -1.347879838304167e+04 9 3/2 + -4.953007557740428e+02 -1.347782006136522e+04 -1.347782006136522e+04 10 3/2 - -4.952240133295506e+02 -1.347573179308403e+04 -1.347573179308403e+04 11 5/2 + -4.950240520706585e+02 -1.347029057007927e+04 -1.347029057007927e+04 12 3/2 + -4.943484791260396e+02 -1.345190729389858e+04 -1.345190729389858e+04 13 1/2 + -4.942758899555208e+02 -1.344993204195872e+04 -1.344993204195872e+04 14 5/2 + -4.940848936651639e+02 -1.344473476817343e+04 -1.344473476817343e+04 15 3/2 + -4.936128262656916e+02 -1.343188915993893e+04 -1.343188915993893e+04 16 1/2 + -4.928878067743924e+02 -1.341216037468916e+04 -1.341216037468916e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 4.088803755290655e-01 1.112620173452396e+01 1.112620173452396e+01 3 3/2 - 1.826763226595176e-01 4.970875932602207e+00 4.970875932602207e+00 4 5/2 - 4.324549128628519e-01 1.176769757015652e+01 1.176769757015652e+01 5 1/2 - 8.967299393010535e-01 2.440126453401214e+01 2.440126453401214e+01 6 3/2 - 3.742961423231463e-01 1.018511681455199e+01 1.018511681455199e+01 7 1/2 + 2.545030963194677e-01 6.925381997234275e+00 6.925381997234275e+00 8 1/2 - 2.671567769544367e-01 7.269706185566218e+00 7.269706185566218e+00 9 3/2 + 3.595265877788734e-02 9.783216764504337e-01 9.783216764504337e-01 10 3/2 - 7.674244449219714e-02 2.088268281195599e+00 2.088268281195599e+00 11 5/2 + 1.999612588921309e-01 5.441223004758931e+00 5.441223004758931e+00 12 3/2 + 6.755729446188639e-01 1.838327618069199e+01 1.838327618069199e+01 13 1/2 + 7.258917051882463e-02 1.975251939859341e+00 1.975251939859341e+00 14 5/2 + 1.909962903569067e-01 5.197273785289791e+00 5.197273785289791e+00 15 3/2 + 4.720673994723370e-01 1.284560823449931e+01 1.284560823449931e+01 16 1/2 + 7.250194912991788e-01 1.972878524976598e+01 1.972878524976598e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 4.088803755290655e-01 1.112620173452396e+01 1.112620173452396e+01 3 3/2 - 5.915566981885831e-01 1.609707766712617e+01 1.609707766712617e+01 4 5/2 - 1.024011611051435e+00 2.786477523728270e+01 2.786477523728270e+01 5 1/2 - 1.920741550352489e+00 5.226603977129483e+01 5.226603977129483e+01 6 3/2 - 2.295037692675635e+00 6.245115658584682e+01 6.245115658584682e+01 7 1/2 + 2.549540788995103e+00 6.937653858308110e+01 6.937653858308110e+01 8 1/2 - 2.816697565949539e+00 7.664624476864732e+01 7.664624476864732e+01 9 3/2 + 2.852650224727427e+00 7.762456644509776e+01 7.762456644509776e+01 10 3/2 - 2.929392669219624e+00 7.971283472629335e+01 7.971283472629335e+01 11 5/2 + 3.129353928111755e+00 8.515405773105228e+01 8.515405773105228e+01 12 3/2 + 3.804926872730618e+00 1.035373339117443e+02 1.035373339117443e+02 13 1/2 + 3.877516043249443e+00 1.055125858516036e+02 1.055125858516036e+02 14 5/2 + 4.068512333606350e+00 1.107098596368934e+02 1.107098596368934e+02 15 3/2 + 4.540579733078687e+00 1.235554678713927e+02 1.235554678713927e+02 16 1/2 + 5.265599224377866e+00 1.432842531211587e+02 1.432842531211587e+02 Dipole amplitudes: Compute dipole matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 6] ... done. < level=6 [J=3/2-] || D || 1 [1/2+] > = 8.90303e-02 0.00000e+00 < level=6 [J=3/2-] || D || 2 [1/2-] > = 0.00000e+00 0.00000e+00 < level=6 [J=3/2-] || D || 3 [3/2-] > = 0.00000e+00 0.00000e+00 < level=7 [J=1/2+] || D || 1 [1/2+] > = 0.00000e+00 0.00000e+00 Compute dipole matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 7] ... done. < level=7 [J=1/2+] || D || 2 [1/2-] > = 1.17249e-01 0.00000e+00 Compute dipole matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 7] ... done. < level=7 [J=1/2+] || D || 3 [3/2-] > = -2.42257e-01 0.00000e+00 Compute dipole matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 8] ... done. < level=8 [J=1/2-] || D || 1 [1/2+] > = -2.62468e-01 0.00000e+00 < level=8 [J=1/2-] || D || 2 [1/2-] > = 0.00000e+00 0.00000e+00 < level=8 [J=1/2-] || D || 3 [3/2-] > = 0.00000e+00 0.00000e+00 testModule_MultipoleMoment():: [OK] Test the module ParityNonConservation ... >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -3.2027330e+02; self-cons'cy = 3.1484e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4342758e+01; self-cons'cy = 6.9619e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.2929954e+01; self-cons'cy = 7.9161e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2303231e+01; self-cons'cy = 7.8906e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -3.2079648e+02; self-cons'cy = 8.1611e-04 [5.1242e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4510319e+01; self-cons'cy = 1.1257e-03 [5.1242e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3089983e+01; self-cons'cy = 1.0959e-03 [3.1315e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2413467e+01; self-cons'cy = 7.6174e-04 [4.6264e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078500e+02; self-cons'cy = 1.7888e-05 [1.0315e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506895e+01; self-cons'cy = 2.2978e-05 [1.0315e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087082e+01; self-cons'cy = 1.9845e-05 [5.6618e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411695e+01; self-cons'cy = 1.2234e-05 [7.5157e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078522e+02; self-cons'cy = 3.4194e-07 [1.9131e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506958e+01; self-cons'cy = 4.2391e-07 [1.9131e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087131e+01; self-cons'cy = 3.3476e-07 [9.5416e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411724e+01; self-cons'cy = 1.9633e-07 [1.2050e-06 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.2078522e+02; self-cons'cy = 6.0568e-09 [3.3194e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506957e+01; self-cons'cy = 7.3360e-09 [3.3194e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087130e+01; self-cons'cy = 5.4718e-09 [1.5594e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411723e+01; self-cons'cy = 3.1403e-09 [1.9275e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -4.981534059987703e+02 -1.355544462781032e+04 -1.355544462781032e+04 2 1/2 - -4.977445256232412e+02 -1.354431842607580e+04 -1.354431842607580e+04 3 3/2 - -4.975618493005817e+02 -1.353934755014319e+04 -1.353934755014319e+04 4 5/2 - -4.971293943877188e+02 -1.352757985257304e+04 -1.352757985257304e+04 5 1/2 - -4.962326644484178e+02 -1.350317858803903e+04 -1.350317858803903e+04 6 3/2 - -4.958583683060946e+02 -1.349299347122447e+04 -1.349299347122447e+04 7 1/2 + -4.956038652097752e+02 -1.348606808922724e+04 -1.348606808922724e+04 8 1/2 - -4.953367084328207e+02 -1.347879838304167e+04 -1.347879838304167e+04 9 3/2 + -4.953007557740428e+02 -1.347782006136522e+04 -1.347782006136522e+04 10 3/2 - -4.952240133295506e+02 -1.347573179308403e+04 -1.347573179308403e+04 11 5/2 + -4.950240520706585e+02 -1.347029057007927e+04 -1.347029057007927e+04 12 3/2 + -4.943484791260396e+02 -1.345190729389858e+04 -1.345190729389858e+04 13 1/2 + -4.942758899555208e+02 -1.344993204195872e+04 -1.344993204195872e+04 14 5/2 + -4.940848936651639e+02 -1.344473476817343e+04 -1.344473476817343e+04 15 3/2 + -4.936128262656916e+02 -1.343188915993893e+04 -1.343188915993893e+04 16 1/2 + -4.928878067743924e+02 -1.341216037468916e+04 -1.341216037468916e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 4.088803755290655e-01 1.112620173452396e+01 1.112620173452396e+01 3 3/2 - 1.826763226595176e-01 4.970875932602207e+00 4.970875932602207e+00 4 5/2 - 4.324549128628519e-01 1.176769757015652e+01 1.176769757015652e+01 5 1/2 - 8.967299393010535e-01 2.440126453401214e+01 2.440126453401214e+01 6 3/2 - 3.742961423231463e-01 1.018511681455199e+01 1.018511681455199e+01 7 1/2 + 2.545030963194677e-01 6.925381997234275e+00 6.925381997234275e+00 8 1/2 - 2.671567769544367e-01 7.269706185566218e+00 7.269706185566218e+00 9 3/2 + 3.595265877788734e-02 9.783216764504337e-01 9.783216764504337e-01 10 3/2 - 7.674244449219714e-02 2.088268281195599e+00 2.088268281195599e+00 11 5/2 + 1.999612588921309e-01 5.441223004758931e+00 5.441223004758931e+00 12 3/2 + 6.755729446188639e-01 1.838327618069199e+01 1.838327618069199e+01 13 1/2 + 7.258917051882463e-02 1.975251939859341e+00 1.975251939859341e+00 14 5/2 + 1.909962903569067e-01 5.197273785289791e+00 5.197273785289791e+00 15 3/2 + 4.720673994723370e-01 1.284560823449931e+01 1.284560823449931e+01 16 1/2 + 7.250194912991788e-01 1.972878524976598e+01 1.972878524976598e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 4.088803755290655e-01 1.112620173452396e+01 1.112620173452396e+01 3 3/2 - 5.915566981885831e-01 1.609707766712617e+01 1.609707766712617e+01 4 5/2 - 1.024011611051435e+00 2.786477523728270e+01 2.786477523728270e+01 5 1/2 - 1.920741550352489e+00 5.226603977129483e+01 5.226603977129483e+01 6 3/2 - 2.295037692675635e+00 6.245115658584682e+01 6.245115658584682e+01 7 1/2 + 2.549540788995103e+00 6.937653858308110e+01 6.937653858308110e+01 8 1/2 - 2.816697565949539e+00 7.664624476864732e+01 7.664624476864732e+01 9 3/2 + 2.852650224727427e+00 7.762456644509776e+01 7.762456644509776e+01 10 3/2 - 2.929392669219624e+00 7.971283472629335e+01 7.971283472629335e+01 11 5/2 + 3.129353928111755e+00 8.515405773105228e+01 8.515405773105228e+01 12 3/2 + 3.804926872730618e+00 1.035373339117443e+02 1.035373339117443e+02 13 1/2 + 3.877516043249443e+00 1.055125858516036e+02 1.055125858516036e+02 14 5/2 + 4.068512333606350e+00 1.107098596368934e+02 1.107098596368934e+02 15 3/2 + 4.540579733078687e+00 1.235554678713927e+02 1.235554678713927e+02 16 1/2 + 5.265599224377866e+00 1.432842531211587e+02 1.432842531211587e+02 Weak-charge and Schiff-moment amplitudes: Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 2.72251e-02 5.44502e-02 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. 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Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 1 [1/2+] > = 2.72251205e-025.44502410e-02 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 2 [1/2-] > = 3.78182e-01 7.56364e-01 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 2 [1/2-] > = 3.78181927e-017.56363854e-01 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 3 [3/2-] > = 8.07342e-01 1.61468e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 3 [3/2-] > = 8.07342124e-011.61468425e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 1.60187e-01 3.20375e-01 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 1 [1/2+] > = 1.60187302e-013.20374603e-01 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 2 [1/2-] > = 6.05661e-03 1.21132e-02 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 2 [1/2-] > = 6.05660908e-031.21132182e-02 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 3 [3/2-] > = -7.17938e-01 -1.43588e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 3 [3/2-] > = -7.17937520e-01-1.43587504e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=8 [J=1/2-] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 8.35247e-01 1.67049e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 8] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 1 [1/2+] > = 8.35246698e-011.67049340e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=8 [J=1/2-] || H^(weak-charge) (Fermi) || 2 [1/2-] > = -1.06476e+00 -2.12952e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 8] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 2 [1/2-] > = -1.06475811e+00-2.12951622e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=8 [J=1/2-] || H^(weak-charge) (Fermi) || 3 [3/2-] > = -5.63421e-01 -1.12684e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 8] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. 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Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 3 [3/2-] > = -5.63420943e-01-1.12684189e+00 testModule_ParityNonConservation():: [OK] Test the module Einstein ... >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572818e+02 -6.59583512e+02 +1.62129646e-05 2 2s_1/2 -1.65624908e+02 -1.65626275e+02 +8.25380466e-06 3 3s_1/2 -7.32848255e+01 -7.32847802e+01 -6.18829677e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176869e-03 6 6s_1/2 -1.96012234e+01 -1.81861550e+01 -7.21928645e-02 7 7s_1/2 -1.73099251e+01 -1.33439712e+01 -2.29114445e-01 : : 61 61s_1/2 +1.07217980e+09 -1.74345027e-01 +1.00000000e+00 62 62s_1/2 +2.82403709e+09 -1.68763288e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626269e+02 -1.65626275e+02 +3.51600655e-08 2 3p_1/2 -7.32849532e+01 -7.32847802e+01 -2.36117317e-06 3 4p_1/2 -4.10886916e+01 -4.10855060e+01 -7.75295294e-05 4 5p_1/2 -2.62516709e+01 -2.62329647e+01 -7.12568283e-04 5 6p_1/2 -1.83144880e+01 -1.81861550e+01 -7.00718586e-03 6 7p_1/2 -1.45572125e+01 -1.33439712e+01 -8.33429684e-02 7 8p_1/2 -1.22268086e+01 -1.02061694e+01 -1.65263016e-01 : : 61 62p_1/2 +1.31121661e+09 -1.68763288e-01 +1.00000000e+00 62 63p_1/2 +6.75303363e+09 -1.63445372e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704879e+02 -1.62704858e+02 -1.30004330e-07 2 3p_3/2 -7.24182136e+01 -7.24179626e+01 -3.46648311e-06 3 4p_3/2 -4.07283459e+01 -4.07203638e+01 -1.95983472e-04 4 5p_3/2 -2.61758836e+01 -2.60463105e+01 -4.95009559e-03 5 6p_3/2 -2.18542327e+01 -1.80782839e+01 -1.72778831e-01 6 7p_3/2 -1.76630982e+01 -1.32761162e+01 -2.48369905e-01 7 8p_3/2 -1.27429419e+01 -1.01607532e+01 -2.02636782e-01 : : 61 62p_3/2 +1.75348509e+09 -1.68666399e-01 +1.00000000e+00 62 63p_3/2 +6.75813749e+09 -1.63353026e-01 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.3041907e+02; self-cons'cy = 2.2600e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4997690e+02; self-cons'cy = 4.9582e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4793527e+02; self-cons'cy = 5.6420e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4534845e+02; self-cons'cy = 5.6342e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094980e+02; self-cons'cy = 4.2076e-04 [2.7989e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014854e+02; self-cons'cy = 5.7190e-04 [2.7989e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4810042e+02; self-cons'cy = 5.5787e-04 [1.7283e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4546110e+02; self-cons'cy = 3.8736e-04 [2.6853e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094141e+02; self-cons'cy = 6.6475e-06 [4.0109e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014603e+02; self-cons'cy = 8.3642e-06 [4.0109e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809829e+02; self-cons'cy = 7.2019e-06 [2.2011e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545982e+02; self-cons'cy = 4.4225e-06 [3.0533e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094153e+02; self-cons'cy = 9.1538e-08 [5.3473e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014606e+02; self-cons'cy = 1.1093e-07 [5.3473e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809832e+02; self-cons'cy = 8.7015e-08 [2.6570e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545983e+02; self-cons'cy = 5.0803e-08 [3.5069e-07 for sym-block kappa = -2] >>> Sign changed for orbital 2p_3/2 > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -9.711504212090781e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900309e+02 -2.641024081452560e+04 -2.641024081452560e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011058e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021923e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409183e+02 -2.627848043032709e+04 -2.627848043032709e+04 9 3/2 - -9.654536134553871e+02 -2.627133096013840e+04 -2.627133096013840e+04 10 3/2 + -9.653919986814907e+02 -2.626965433674137e+04 -2.626965433674137e+04 11 5/2 + -9.647923902465742e+02 -2.625333816015801e+04 -2.625333816015801e+04 12 1/2 + -9.642045522528894e+02 -2.623734227359463e+04 -2.623734227359463e+04 13 3/2 + -9.640667525534584e+02 -2.623359255277998e+04 -2.623359255277998e+04 14 5/2 + -9.623019411297864e+02 -2.618556958787793e+04 -2.618556958787793e+04 15 3/2 + -9.614491258240491e+02 -2.616236330138975e+04 -2.616236330138975e+04 16 1/2 + -9.606774849128176e+02 -2.614136588268540e+04 -2.614136588268540e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 4.970533204115100e-01 1.352550977424034e+01 1.352550977424034e+01 4 1/2 - 1.725506968513628e+00 4.695343620042431e+01 4.695343620042431e+01 5 5/2 - 2.557640715224352e-01 6.959694880243873e+00 6.959694880243873e+00 6 1/2 + 9.990003273910588e-01 2.718418354274448e+01 2.718418354274448e+01 7 3/2 - 6.065623376754274e-01 1.650540191567964e+01 1.650540191567964e+01 8 1/2 - 7.582178235985566e-01 2.063215788518459e+01 2.063215788518459e+01 9 3/2 - 2.627381855312478e-01 7.149470188685163e+00 7.149470188685163e+00 10 3/2 + 6.161477389639458e-02 1.676623397029812e+00 1.676623397029812e+00 11 5/2 + 5.996084349164903e-01 1.631617658336067e+01 1.631617658336067e+01 12 1/2 + 5.878379936848432e-01 1.599588656338059e+01 1.599588656338059e+01 13 3/2 + 1.377996994309569e-01 3.749720814655743e+00 3.749720814655743e+00 14 5/2 + 1.764811423671972e+00 4.802296490204380e+01 4.802296490204380e+01 15 3/2 + 8.528153057372947e-01 2.320628648818185e+01 2.320628648818185e+01 16 1/2 + 7.716409112315432e-01 2.099741870434607e+01 2.099741870434607e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 1.089018039458665e+00 2.963369025445332e+01 2.963369025445332e+01 4 1/2 - 2.814525007972293e+00 7.658712645487763e+01 7.658712645487763e+01 5 5/2 - 3.070289079494728e+00 8.354682133512151e+01 8.354682133512151e+01 6 1/2 + 4.069289406885787e+00 1.107310048778660e+02 1.107310048778660e+02 7 3/2 - 4.675851744561214e+00 1.272364067935456e+02 1.272364067935456e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691019e+00 1.550180348674154e+02 1.550180348674154e+02 10 3/2 + 5.758422527587413e+00 1.566946582644452e+02 1.566946582644452e+02 11 5/2 + 6.358030962503904e+00 1.730108348478059e+02 1.730108348478059e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619704e+00 1.927564422258422e+02 1.927564422258422e+02 14 5/2 + 8.848480079291676e+00 2.407794071278860e+02 2.407794071278860e+02 15 3/2 + 9.701295385028970e+00 2.639856936160679e+02 2.639856936160679e+02 16 1/2 + 1.047293629626051e+01 2.849831123204139e+02 2.849831123204139e+02 Einstein.computeLines(): The computation of the transition amplitudes and properties starts now ... --------------------------------------------------------------------------------------------------- Selected Einstein lines: ------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy List of multipoles [eV] ------------------------------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.35468213e+01 M2(Magnetic) 5 -- 2 5/2 - --> 1/2 - 6.74386409e+01 E2(Coulomb), E2(Babushkin) 5 -- 3 5/2 - --> 3/2 - 5.39131311e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 5 -- 4 5/2 - --> 1/2 - 6.95969488e+00 E2(Coulomb), E2(Babushkin) 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 3 3/2 - --> 3/2 - 9.76027165e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 4 3/2 - --> 1/2 - 5.06492803e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 5 3/2 - --> 5/2 - 4.36895855e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 6 3/2 - --> 1/2 + 1.65054019e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 1 3/2 + --> 1/2 + 1.56694658e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 10 -- 2 3/2 + --> 1/2 - 1.40586478e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 4 3/2 + --> 1/2 - 8.01075318e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 5 3/2 + --> 5/2 - 7.31478369e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 6 3/2 + --> 1/2 + 4.59636534e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 10 -- 7 3/2 + --> 3/2 - 2.94582515e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 8 3/2 + --> 1/2 - 8.82609359e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 9 3/2 + --> 3/2 - 1.67662340e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2(Coulomb), E2(Babushkin) 11 -- 2 5/2 + --> 1/2 - 1.56902654e+02 M2(Magnetic) 11 -- 3 5/2 + --> 3/2 - 1.43377145e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 4 5/2 + --> 1/2 - 9.64237084e+01 M2(Magnetic) 11 -- 5 5/2 + --> 5/2 - 8.94640135e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2(Coulomb), E2(Babushkin) 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 8 5/2 + --> 1/2 - 2.51422702e+01 M2(Magnetic) 11 -- 9 5/2 + --> 3/2 - 1.79928000e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 12 -- 1 1/2 + --> 1/2 + 1.89006721e+02 M1(Magnetic) 12 -- 2 1/2 + --> 1/2 - 1.72898541e+02 E1(Coulomb), E1(Babushkin) 12 -- 3 1/2 + --> 3/2 - 1.59373031e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 4 1/2 + --> 1/2 - 1.12419595e+02 E1(Coulomb), E1(Babushkin) 12 -- 5 1/2 + --> 5/2 - 1.05459900e+02 M2(Magnetic) 12 -- 6 1/2 + --> 1/2 + 7.82757165e+01 M1(Magnetic) 12 -- 7 1/2 + --> 3/2 - 6.17703146e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 8 1/2 + --> 1/2 - 4.11381567e+01 E1(Coulomb), E1(Babushkin) 12 -- 9 1/2 + --> 3/2 - 3.39886865e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 10 1/2 + --> 3/2 + 3.23120631e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 12 -- 11 1/2 + --> 5/2 + 1.59958866e+01 E2(Coulomb), E2(Babushkin) 13 -- 1 3/2 + --> 1/2 + 1.92756442e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 9 3/2 + --> 3/2 - 3.77384074e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 10 3/2 + --> 3/2 + 3.60617840e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 11 3/2 + --> 5/2 + 1.97456074e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 12 3/2 + --> 1/2 + 3.74972081e+00 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 1 5/2 + --> 1/2 + 2.40779407e+02 E2(Coulomb), E2(Babushkin) 14 -- 2 5/2 + --> 1/2 - 2.24671227e+02 M2(Magnetic) 14 -- 3 5/2 + --> 3/2 - 2.11145717e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 4 5/2 + --> 1/2 - 1.64192281e+02 M2(Magnetic) 14 -- 5 5/2 + --> 5/2 - 1.57232586e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2(Coulomb), E2(Babushkin) 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 8 5/2 + --> 1/2 - 9.29108424e+01 M2(Magnetic) 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 10 5/2 + --> 3/2 + 8.40847489e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 12 5/2 + --> 1/2 + 5.17726857e+01 E2(Coulomb), E2(Babushkin) 14 -- 13 5/2 + --> 3/2 + 4.80229649e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) ------------------------------------------------------------------------------------------------------------------- Einstein coefficients, transition rates and oscillator strengths: ------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipole Gauge A--Einstein--B Osc. strength Decay widths [eV] [1/s] [1/s] [eV] ------------------------------------------------------------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.354682e+01 M2 Magnetic 2.792666e+01 5.927888e-10 7.997575e-16 1.838166e-14 5 -- 2 5/2 - --> 1/2 - 6.743864e+01 E2 Coulomb 7.257417e+02 2.929048e-08 2.574795e-14 4.776919e-13 5 -- 2 5/2 - --> 1/2 - 6.743864e+01 E2 Babushkin 5.673185e+02 2.289662e-08 2.012739e-14 3.734158e-13 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 M1 Magnetic 1.753250e+07 1.384940e-03 7.780699e-10 1.154010e-08 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 E2 Coulomb 5.893940e+02 4.655785e-08 2.615655e-14 3.879462e-13 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 E2 Babushkin 1.491878e+02 1.178475e-08 6.620763e-15 9.819719e-14 5 -- 4 5/2 - --> 1/2 - 6.959695e+00 E2 Coulomb 1.799357e-05 6.607203e-13 6.185809e-21 1.184358e-20 5 -- 4 5/2 - --> 1/2 - 6.959695e+00 E2 Babushkin 2.291542e-05 8.414494e-13 7.877835e-21 1.508320e-20 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 E1 Coulomb 9.045263e+09 5.435730e-02 1.700901e-07 5.953700e-06 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 E1 Babushkin 1.485073e+10 8.924511e-02 2.792580e-07 9.774927e-06 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 M2 Magnetic 1.700407e+02 1.021855e-09 3.197501e-15 1.119228e-13 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 M1 Magnetic 1.133827e+07 1.022691e-04 2.441134e-10 7.462984e-09 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 E2 Coulomb 7.959640e+02 7.179449e-09 1.713714e-14 5.239130e-13 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 E2 Babushkin 3.918866e+03 3.534745e-08 8.437335e-14 2.579444e-12 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 M1 Magnetic 2.396610e+07 3.190674e-04 5.874958e-10 1.577477e-08 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Coulomb 3.351352e+03 4.461749e-08 8.215375e-14 2.205900e-12 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Babushkin 1.128323e+04 1.502168e-07 2.765927e-13 7.426754e-12 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 M1 Magnetic 1.630881e+06 1.553722e-04 7.704036e-11 1.073465e-09 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 E2 Coulomb 1.254712e+02 1.195350e-08 5.927071e-15 8.258665e-14 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 E2 Babushkin 2.700785e+01 2.573007e-09 1.275810e-15 1.777689e-14 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 M1 Magnetic 5.796718e+07 8.604373e-03 3.174487e-09 3.815469e-08 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 E2 Coulomb 6.754215e+01 1.002564e-08 3.698846e-15 4.445705e-14 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 E2 Babushkin 7.106499e+01 1.054855e-08 3.891769e-15 4.677583e-14 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 E1 Coulomb 4.388532e+06 1.208125e-02 6.361543e-10 2.888584e-09 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 E1 Babushkin 3.892165e+06 1.071479e-02 5.642018e-10 2.561870e-09 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 M2 Magnetic 1.028353e-04 2.830968e-13 1.490684e-20 6.768745e-20 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 M1 Magnetic 5.095593e+06 1.639468e-05 7.780542e-11 3.353980e-09 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 E2 Coulomb 1.011373e+02 3.254016e-10 1.544282e-15 6.656979e-14 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 E2 Babushkin 1.403331e+02 4.515110e-10 2.142768e-15 9.236891e-14 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 E1 Coulomb 2.979559e+10 1.327371e-01 5.070815e-07 1.961181e-05 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 E1 Babushkin 3.607591e+10 1.607154e-01 6.139643e-07 2.374560e-05 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 M2 Magnetic 1.704239e+02 7.592252e-10 2.900389e-15 1.121750e-13 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 E1 Coulomb 1.119980e+10 6.758409e-02 2.108955e-07 7.371839e-06 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 E1 Babushkin 1.461531e+10 8.819468e-02 2.752106e-07 9.619972e-06 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 M2 Magnetic 2.066403e+02 1.246951e-09 3.891098e-15 1.360131e-13 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 E1 Coulomb 4.698615e+07 1.131412e-03 1.403349e-09 3.092684e-08 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 E1 Babushkin 1.702427e+07 4.099390e-04 5.084689e-10 1.120558e-08 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 M2 Magnetic 1.363880e+01 3.284181e-10 4.073542e-16 8.977224e-15 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 E1 Coulomb 9.778484e+09 3.092701e-01 3.198448e-07 6.436315e-06 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 E1 Babushkin 1.512264e+10 4.782929e-01 4.946470e-07 9.953901e-06 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 M2 Magnetic 4.508762e-01 1.426014e-11 1.474773e-17 2.967721e-16 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 M1 Magnetic 2.584612e+06 3.294751e-04 1.345396e-10 1.701222e-09 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 E2 Coulomb 1.419695e+01 1.809765e-09 7.390091e-16 9.344601e-15 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 E2 Babushkin 3.059867e+00 3.900585e-10 1.592785e-16 2.014041e-15 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 E1 Coulomb 2.399705e+06 1.162005e-03 1.949038e-10 1.579515e-09 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 E1 Babushkin 3.839463e+06 1.859176e-03 3.118407e-10 2.527180e-09 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 M2 Magnetic 1.436458e-04 6.955735e-14 1.166690e-20 9.454941e-20 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 E1 Coulomb 6.163196e+06 1.109612e-01 1.670732e-09 4.056689e-09 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 E1 Babushkin 4.457730e+04 8.025628e-04 1.208411e-11 2.934131e-11 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 M2 Magnetic 4.001961e-05 7.205069e-13 1.084860e-20 2.634139e-20 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Coulomb 1.207167e+05 3.170527e-01 1.722666e-10 7.945715e-11 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Babushkin 8.647964e+03 2.271319e-02 1.234092e-11 5.692193e-12 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 M2 Magnetic 2.416843e-09 6.347647e-15 3.448913e-24 1.590795e-24 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Coulomb 1.669587e+03 3.990801e-09 2.308900e-14 1.098942e-12 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Babushkin 2.632441e+03 6.292303e-09 3.640447e-14 1.732704e-12 11 -- 2 5/2 + --> 1/2 - 1.569027e+02 M2 Magnetic 1.543239e+02 4.945533e-10 2.353272e-15 1.015778e-13 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 E1 Coulomb 6.166486e+10 2.589815e-01 1.029028e-06 4.058854e-05 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 E1 Babushkin 6.324304e+10 2.656096e-01 1.055364e-06 4.162733e-05 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 M2 Magnetic 4.758207e+02 1.998363e-09 7.940223e-15 3.131909e-13 11 -- 4 5/2 + --> 1/2 - 9.642371e+01 M2 Magnetic 3.180753e+01 4.391868e-10 7.892515e-16 2.093609e-14 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 E1 Coulomb 1.905285e+10 3.293712e-01 5.095430e-07 1.254081e-05 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 E1 Babushkin 2.675409e+10 4.625045e-01 7.155025e-07 1.760986e-05 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 M2 Magnetic 1.394301e+01 2.410362e-10 3.728872e-16 9.177455e-15 11 -- 6 5/2 + --> 1/2 + 6.227983e+01 E2 Coulomb 5.434823e+02 2.784928e-08 2.087888e-14 3.577265e-13 11 -- 6 5/2 + --> 1/2 + 6.227983e+01 E2 Babushkin 5.774280e+02 2.958874e-08 2.218297e-14 3.800700e-13 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 E1 Coulomb 7.004238e+08 9.039887e-02 3.661064e-08 4.610273e-07 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 E1 Babushkin 1.771853e+08 2.286808e-02 9.261344e-09 1.166255e-07 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 M2 Magnetic 9.555728e-02 1.233292e-11 4.994708e-18 6.289694e-17 11 -- 8 5/2 + --> 1/2 - 2.514227e+01 M2 Magnetic 1.923310e-03 1.497982e-12 1.830266e-19 1.265946e-18 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 E1 Coulomb 6.654161e+08 1.414060e+00 8.848382e-08 4.379848e-07 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 E1 Babushkin 7.497392e+07 1.593253e-01 9.969669e-09 4.934873e-08 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 M2 Magnetic 4.595148e-03 9.765041e-12 6.110405e-19 3.024581e-18 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 M1 Magnetic 4.468004e+04 1.273296e-04 6.551858e-12 2.940894e-11 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 E2 Coulomb 2.832632e+00 8.072458e-09 4.153757e-16 1.864472e-15 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 E2 Babushkin 9.105315e-02 2.594840e-10 1.335199e-17 5.993227e-17 12 -- 1 1/2 + --> 1/2 + 1.890067e+02 M1 Magnetic 4.048673e+06 7.422527e-06 5.125129e-11 2.664885e-09 12 -- 2 1/2 + --> 1/2 - 1.728985e+02 E1 Coulomb 8.060340e+09 1.930413e-02 1.115402e-07 5.305412e-06 12 -- 2 1/2 + --> 1/2 - 1.728985e+02 E1 Babushkin 7.056035e+09 1.689887e-02 9.764246e-08 4.644367e-06 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 E1 Coulomb 9.128276e+09 2.791355e-02 1.370387e-07 6.008341e-06 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 E1 Babushkin 3.500775e+09 1.070510e-02 5.255556e-08 2.304252e-06 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 M2 Magnetic 1.943433e+03 5.942865e-09 2.917588e-14 1.279191e-12 12 -- 4 1/2 + --> 1/2 - 1.124196e+02 E1 Coulomb 2.014583e+10 1.755213e-01 4.287582e-07 1.326022e-05 12 -- 4 1/2 + --> 1/2 - 1.124196e+02 E1 Babushkin 2.423979e+10 2.111902e-01 5.158890e-07 1.595492e-05 12 -- 5 1/2 + --> 5/2 - 1.054599e+02 M2 Magnetic 7.459531e+00 7.872638e-11 1.692363e-16 4.909952e-15 12 -- 6 1/2 + --> 1/2 + 7.827572e+01 M1 Magnetic 3.873484e+06 9.997500e-05 1.183979e-10 2.549573e-09 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 E1 Coulomb 4.037828e+09 2.120700e-01 1.564002e-07 2.657746e-06 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 E1 Babushkin 5.099834e+09 2.678474e-01 1.975357e-07 3.356772e-06 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 M2 Magnetic 6.975135e-01 3.663397e-11 2.701731e-17 4.591117e-16 12 -- 8 1/2 + --> 1/2 - 4.113816e+01 E1 Coulomb 9.189930e+06 1.633987e-03 5.344864e-10 6.048921e-09 12 -- 8 1/2 + --> 1/2 - 4.113816e+01 E1 Babushkin 5.356908e+07 9.524683e-03 3.115578e-09 3.525981e-08 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 E1 Coulomb 1.837491e+06 5.792858e-04 1.293481e-10 1.209458e-09 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 E1 Babushkin 6.694956e+07 2.110646e-02 4.712839e-09 4.406700e-08 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 M2 Magnetic 4.886823e-02 1.540616e-11 3.440025e-18 3.216565e-17 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 M1 Magnetic 1.266233e+07 4.646119e-03 9.376012e-10 8.334495e-09 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 E2 Coulomb 1.210539e+01 4.441766e-09 8.963622e-16 7.967914e-15 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 E2 Babushkin 7.293301e+00 2.676091e-09 5.400436e-16 4.800538e-15 12 -- 11 1/2 + --> 5/2 + 1.599589e+01 E2 Coulomb 4.791645e+00 1.449208e-08 7.167136e-16 3.153918e-15 12 -- 11 1/2 + --> 5/2 + 1.599589e+01 E2 Babushkin 1.655066e-01 5.005659e-10 2.475576e-17 1.089384e-16 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 M1 Magnetic 1.187587e+06 2.052624e-06 1.474096e-11 7.816838e-10 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 E2 Coulomb 2.260771e+03 3.907516e-09 2.806190e-14 1.488067e-12 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 E2 Babushkin 2.764295e+03 4.777806e-09 3.431190e-14 1.819492e-12 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 E1 Coulomb 7.251130e+08 1.628353e-03 9.821224e-09 4.772780e-07 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 E1 Babushkin 4.033260e+08 9.057303e-04 5.462810e-09 2.654740e-07 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 M2 Magnetic 9.080374e+02 2.039137e-09 1.229883e-14 5.976811e-13 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 E1 Coulomb 1.518640e+10 4.330940e-02 2.227459e-07 9.995872e-06 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 E1 Babushkin 1.465875e+10 4.180460e-02 2.150065e-07 9.648562e-06 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 M2 Magnetic 1.260197e+03 3.593899e-09 1.848389e-14 8.294770e-13 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 E1 Coulomb 1.628748e+10 1.286028e-01 3.354530e-07 1.072061e-05 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 E1 Babushkin 1.142944e+10 9.024467e-02 2.353981e-07 7.522995e-06 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 M2 Magnetic 5.335568e-03 4.212862e-14 1.098901e-19 3.511935e-18 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 E1 Coulomb 9.407446e+07 8.940461e-04 2.061010e-09 6.192094e-08 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 E1 Babushkin 1.260761e+08 1.198176e-03 2.762110e-09 8.298477e-08 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 M2 Magnetic 1.307208e+00 1.242318e-11 2.863869e-17 8.604201e-16 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 M1 Magnetic 5.284188e+06 1.185232e-04 1.541342e-10 3.478116e-09 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 E2 Coulomb 1.176567e+03 2.639014e-08 3.431921e-14 7.744302e-13 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 E2 Babushkin 3.806144e+03 8.537100e-08 1.110212e-13 2.505249e-12 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 E1 Coulomb 5.395933e+09 2.374734e-01 1.970433e-07 3.551668e-06 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 E1 Babushkin 5.438115e+09 2.393299e-01 1.985837e-07 3.579433e-06 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 M2 Magnetic 4.190083e-01 1.844043e-11 1.530093e-17 2.757963e-16 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 E1 Coulomb 2.971416e+09 4.066747e-01 1.583812e-07 1.955822e-06 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 E1 Babushkin 1.062599e+09 1.454297e-01 5.663823e-08 6.994155e-07 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 M2 Magnetic 9.675536e-03 1.324215e-12 5.157215e-19 6.368553e-18 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 E1 Coulomb 1.121894e+08 2.583878e-02 7.112751e-09 7.384441e-08 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 E1 Babushkin 1.139829e+06 2.625184e-04 7.226456e-11 7.502489e-10 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 M2 Magnetic 2.711287e-02 6.244471e-12 1.718942e-18 1.784602e-17 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 M1 Magnetic 2.164947e+06 5.714476e-04 1.436380e-10 1.424994e-09 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 E2 Coulomb 1.030158e+01 2.719150e-09 6.834804e-16 6.780625e-15 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 E2 Babushkin 8.128807e+00 2.145636e-09 5.393230e-16 5.350478e-15 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 M1 Magnetic 3.914346e+06 6.293881e-03 4.743054e-10 2.576469e-09 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 E2 Coulomb 2.840220e-01 4.566794e-10 3.441525e-17 1.869467e-16 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 E2 Babushkin 1.582363e+00 2.544283e-09 1.917365e-16 1.041530e-15 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 M1 Magnetic 3.704599e+03 8.697917e-04 2.363805e-12 2.438411e-12 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Coulomb 1.117604e-02 2.623988e-09 7.131128e-18 7.356202e-18 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Babushkin 7.604241e-05 1.785377e-11 4.852061e-20 5.005202e-20 14 -- 1 5/2 + --> 1/2 + 2.407794e+02 E2 Coulomb 2.731138e+02 2.421901e-10 2.713898e-15 1.797668e-13 14 -- 1 5/2 + --> 1/2 + 2.407794e+02 E2 Babushkin 5.447206e+03 4.830439e-09 5.412822e-14 3.585416e-12 14 -- 2 5/2 + --> 1/2 - 2.246712e+02 M2 Magnetic 1.039497e+01 1.134623e-11 1.106993e-16 6.842093e-15 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 E1 Coulomb 1.137060e+09 1.495228e-03 1.288458e-08 7.484263e-07 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 E1 Babushkin 4.757352e+09 6.255893e-03 5.390789e-08 3.131346e-06 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 M2 Magnetic 6.459217e+02 8.493837e-10 7.319256e-15 4.251534e-13 14 -- 4 5/2 + --> 1/2 - 1.641923e+02 M2 Magnetic 6.217461e+01 1.738704e-10 9.060030e-16 4.092407e-14 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 E1 Coulomb 8.779123e+10 2.795724e-01 1.335912e-06 5.778523e-05 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 E1 Babushkin 1.052306e+11 3.351083e-01 1.601286e-06 6.926404e-05 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 M2 Magnetic 3.350213e+03 1.066880e-08 5.097992e-14 2.205150e-12 14 -- 6 5/2 + --> 1/2 + 1.300484e+02 E2 Coulomb 7.696989e+01 4.331882e-10 1.416071e-15 5.066250e-14 14 -- 6 5/2 + --> 1/2 + 1.300484e+02 E2 Babushkin 3.217982e+03 1.811087e-08 5.920357e-14 2.118114e-12 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 E1 Coulomb 2.799992e+10 2.367808e-01 5.900187e-07 1.842988e-05 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 E1 Babushkin 2.339361e+10 1.978276e-01 4.929537e-07 1.539795e-05 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 M2 Magnetic 2.101353e+01 1.777006e-10 4.428004e-16 1.383136e-14 14 -- 8 5/2 + --> 1/2 - 9.291084e+01 M2 Magnetic 8.519047e+00 1.314809e-10 2.193784e-16 5.607338e-15 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 E1 Coulomb 3.068649e+10 6.022030e-01 8.561007e-07 2.019822e-05 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 E1 Babushkin 1.732379e+10 3.399684e-01 4.833041e-07 1.140273e-05 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 M2 Magnetic 6.271387e+01 1.230720e-09 1.749610e-15 4.127902e-14 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 M1 Magnetic 2.735057e+07 5.694892e-04 7.782488e-10 1.800247e-08 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 E2 Coulomb 3.091970e+03 6.438051e-08 8.798069e-14 2.035172e-12 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 E2 Babushkin 5.781040e+03 1.203719e-07 1.644970e-13 3.805150e-12 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 M1 Magnetic 1.869444e+06 7.435297e-05 6.600145e-11 1.230490e-09 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 E2 Coulomb 3.604182e+03 1.433483e-07 1.272470e-13 2.372316e-12 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 E2 Babushkin 2.864446e+03 1.139269e-07 1.011304e-13 1.885413e-12 14 -- 12 5/2 + --> 1/2 + 5.177269e+01 E2 Coulomb 1.050751e+02 9.372787e-09 4.855887e-15 6.916171e-14 14 -- 12 5/2 + --> 1/2 + 5.177269e+01 E2 Babushkin 5.784433e+01 5.159761e-09 2.673187e-15 3.807383e-14 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 M1 Magnetic 5.742665e+06 6.418558e-04 2.861105e-10 3.779891e-09 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 E2 Coulomb 1.041975e+02 1.164612e-08 5.191319e-15 6.858405e-14 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 E2 Babushkin 1.336224e+01 1.493493e-09 6.657324e-16 8.795188e-15 ------------------------------------------------------------------------------------------------------------------------------------------------- Radiative lifetimes (as derived from these computations): ------------------------------------------------------------------------------------------------------------ Level J^P Level energy Used Gauge Lifetime Decay widths [eV] [a.u.] [sec] [eV] ------------------------------------------------------------------------------------------------------------ 5 5/2 - -2.634280e+04 Coulomb 2.357804e+09 5.703256e-08 1.154099e-08 Babushkin 2.357885e+09 5.703451e-08 1.154059e-08 7 3/2 - -2.629911e+04 Coulomb 4.520872e+06 1.093547e-10 6.019057e-06 Babushkin 2.765395e+06 6.689170e-11 9.839965e-06 10 3/2 + -2.626965e+04 Coulomb 8.132107e+05 1.967063e-11 3.346167e-05 Babushkin 6.278832e+05 1.518777e-11 4.333829e-05 11 5/2 + -2.625334e+04 Coulomb 5.036497e+05 1.218270e-11 5.402840e-05 Babushkin 4.580795e+05 1.108041e-11 5.940319e-05 12 1/2 + -2.623734e+04 Coulomb 9.984902e+05 2.415232e-11 2.725253e-05 Babushkin 1.032565e+06 2.497656e-11 2.635319e-05 13 3/2 + -2.623359e+04 Coulomb 1.013637e+06 2.451872e-11 2.684528e-05 Babushkin 1.247777e+06 3.018229e-11 2.180788e-05 14 5/2 + -2.618557e+04 Coulomb 2.799964e+05 6.772788e-12 9.718478e-05 Babushkin 2.742555e+05 6.633924e-12 9.921909e-05 ------------------------------------------------------------------------------------------------------------ testModule_Einstein():: [OK] Test the module LandeZeeman ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095887e+02 -3.41097837e+02 +5.71734088e-06 2 2s_1/2 -8.54687362e+01 -8.54689584e+01 +2.59983622e-06 3 3s_1/2 -3.78995844e+01 -3.78994478e+01 -3.60423491e-06 4 4s_1/2 -2.12867988e+01 -2.12819385e+01 -2.28326779e-04 5 5s_1/2 -1.36512560e+01 -1.36039714e+01 -3.46375547e-03 6 6s_1/2 -1.02303246e+01 -9.43887322e+00 -7.73632734e-02 7 7s_1/2 -8.90112293e+00 -6.93005925e+00 -2.21439890e-01 : : 61 61s_1/2 +1.07227616e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407815e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80744555e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11035250e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50930063e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444875e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955320e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132205e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305509e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32100356e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772688e-06 3 4p_3/2 -2.11887501e+01 -2.11846929e+01 -1.91475279e-04 4 5p_3/2 -1.36295575e+01 -1.35542226e+01 -5.52731540e-03 5 6p_3/2 -1.13113899e+01 -9.41010352e+00 -1.68086006e-01 6 7p_3/2 -9.13899665e+00 -6.91195226e+00 -2.43685874e-01 7 8p_3/2 -6.57905829e+00 -5.29094223e+00 -1.95790341e-01 : : 61 62p_3/2 +1.75358910e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816204e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.5029089e+02; self-cons'cy = 1.5355e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.1584997e+01; self-cons'cy = 4.6033e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -8.6526636e+00; self-cons'cy = 6.2826e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8706682e+01; self-cons'cy = 4.9715e-01 [1.0000e+02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -7.9203641e+00; self-cons'cy = 6.5428e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.0729953e+01; self-cons'cy = 4.6752e-01 [1.0000e+02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -8.4407306e+00; self-cons'cy = 6.3388e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.6710416e+02; self-cons'cy = 3.2496e-02 [6.6674e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.9389179e+01; self-cons'cy = 1.0996e-01 [6.6674e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0800602e+01; self-cons'cy = 1.1042e-01 [6.6674e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4881910e+01; self-cons'cy = 9.7112e-02 [2.1173e-01 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.3882926e+00; self-cons'cy = 8.4809e-02 [2.1173e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3873343e+01; self-cons'cy = 4.8657e-02 [2.5364e-01 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.1454597e+00; self-cons'cy = 4.0073e-02 [2.5364e-01 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.6417817e+02; self-cons'cy = 5.5074e-03 [2.6397e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.7922095e+01; self-cons'cy = 1.8976e-02 [2.6397e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0323057e+01; self-cons'cy = 2.2607e-02 [2.6397e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.3908753e+01; self-cons'cy = 1.4147e-02 [4.5968e-02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1026117e+00; self-cons'cy = 1.5450e-02 [4.5968e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3529011e+01; self-cons'cy = 5.1086e-03 [4.7811e-02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0486427e+00; self-cons'cy = 5.3213e-03 [4.7811e-02 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.6459053e+02; self-cons'cy = 7.7986e-04 [3.1193e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8129680e+01; self-cons'cy = 2.7295e-03 [3.1193e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0389639e+01; self-cons'cy = 3.2146e-03 [3.1193e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4026674e+01; self-cons'cy = 1.7358e-03 [5.3588e-03 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1367582e+00; self-cons'cy = 1.8721e-03 [5.3588e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3558424e+01; self-cons'cy = 4.3842e-04 [3.7889e-03 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0566838e+00; self-cons'cy = 4.4413e-04 [3.7889e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.6453984e+02; self-cons'cy = 9.5809e-05 [3.9833e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8103989e+01; self-cons'cy = 3.3700e-04 [3.9833e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0381307e+01; self-cons'cy = 4.0113e-04 [3.9833e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4014138e+01; self-cons'cy = 1.8425e-04 [5.7648e-04 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1330995e+00; self-cons'cy = 2.0026e-04 [5.7648e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556589e+01; self-cons'cy = 2.7339e-05 [2.3072e-04 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562078e+00; self-cons'cy = 2.6284e-05 [2.3072e-04 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454530e+02; self-cons'cy = 1.0332e-05 [4.2815e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106763e+01; self-cons'cy = 3.6395e-05 [4.2815e-04 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382208e+01; self-cons'cy = 4.3396e-05 [4.2815e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015265e+01; self-cons'cy = 1.6571e-05 [5.1687e-05 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334278e+00; self-cons'cy = 1.7971e-05 [5.1687e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556599e+01; self-cons'cy = 1.4872e-07 [9.0800e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0800e-07 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454480e+02; self-cons'cy = 9.5900e-07 [3.9617e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106505e+01; self-cons'cy = 3.3759e-06 [3.9617e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382124e+01; self-cons'cy = 4.0303e-06 [3.9617e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015188e+01; self-cons'cy = 1.1322e-06 [3.5002e-06 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334055e+00; self-cons'cy = 1.2172e-06 [3.5002e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556620e+01; self-cons'cy = 3.1830e-07 [3.1621e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8528e-07 [3.1621e-06 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 7.0344e-08 [2.8759e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106524e+01; self-cons'cy = 2.4686e-07 [2.8759e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382131e+01; self-cons'cy = 2.9494e-07 [2.8759e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4706e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4706e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5598e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8511e-08 [6.5598e-07 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 2.5806e-09 [9.9760e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8978e-09 [9.9760e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0646e-08 [9.9760e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9120e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9120e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 1.0464e-08 [9.7857e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7857e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -1.242746339591085e+03 -3.381685037155503e+04 -3.381685037155503e+04 2 1/2 - -1.242672278699692e+03 -3.381483507205035e+04 -3.381483507205035e+04 3 1/2 + -1.241095735452909e+03 -3.377193514518490e+04 -3.377193514518490e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089139294636e-02 2.015299504678759e+00 2.015299504678759e+00 3 1/2 + 1.576543246783558e+00 4.289992686545152e+01 4.289992686545152e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089139294636e-02 2.015299504678759e+00 2.015299504678759e+00 3 1/2 + 1.650604138176504e+00 4.491522637013028e+01 4.491522637013028e+01 LandeZeeman.computeOutcomes(): The computation of the Zeeman amplitudes and Lande factors starts now ... -------------------------------------------------------------------------------------------------------- Selected Lande-Zeeman levels: ------------------------------------------- Level J^P Energy [eV] ------------------------------------------- 1 3/2 - -3.38168504e+04 2 1/2 - -3.38148351e+04 3 1/2 + -3.37719351e+04 ------------------------------------------- Compute Zeeman N^(1) matrix of dimension 3 x 3 ... done. Compute Zeeman Delta matrix of dimension 3 x 3 ... done. Compute Zeeman N^(1) matrix of dimension 3 x 3 ... done. Compute Zeeman Delta matrix of dimension 3 x 3 ... done. Compute Zeeman N^(1) matrix of dimension 3 x 3 ... done. Compute Zeeman Delta matrix of dimension 3 x 3 ... done. Lande g_J factors and Zeeman amplitudes: --------------------------------------------------------------------------------------------------------------------------------------- Level J^P Energy Lande-J N1 -- Zeeman Amplitudes -- Delta N1 [eV] Re Im Re Im --------------------------------------------------------------------------------------------------------------------------------------- 1 3/2 - 2.72113860e+01 1.33401540e+00 1.29015754e+00 0.00000000e+00 1.49731091e-03 0.00000000e+00 2 1/2 - 2.72113860e+01 6.64027553e-01 2.88202640e-01 0.00000000e+00 -6.70274728e-04 0.00000000e+00 3 1/2 + 2.72113860e+01 2.00347427e+00 8.65521214e-01 0.00000000e+00 2.00859470e-03 0.00000000e+00 --------------------------------------------------------------------------------------------------------------------------------------- Hyperfine levels and Lande g_F factors: -------------------------------------------------------------------------------- Level J^P Energy F^P Lande-F [eV] -------------------------------------------------------------------------------- 1 3/2 - 2.72113860e+01 1 - -1.00051155e+00 2 - 1.11167950e-01 3 - 3.89087824e-01 4 - 5.00255774e-01 2 1/2 - 2.72113860e+01 2 - -1.10671259e-01 3 - 1.10671259e-01 3 1/2 + 2.72113860e+01 2 + -3.33912379e-01 3 + 3.33912379e-01 -------------------------------------------------------------------------------- Zeeman splittings of (hyper-) fine-structure levels: ---------------------------------------------------------------------------------------------------- Here, we should display the Zeeman splittings of (hyper-) fine-structure levels. ---------------------------------------------------------------------------------------------------- testModule_LandeZeeman():: [OK] Test the module IsotopeShift ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.5029089e+02; self-cons'cy = 1.5355e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.1584997e+01; self-cons'cy = 4.6033e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -8.6526635e+00; self-cons'cy = 6.2826e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8706682e+01; self-cons'cy = 4.9715e-01 [1.0000e+02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -7.9203641e+00; self-cons'cy = 6.5428e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.0729954e+01; self-cons'cy = 4.6752e-01 [1.0000e+02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -8.4407306e+00; self-cons'cy = 6.3388e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.6710415e+02; self-cons'cy = 3.2496e-02 [6.6673e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.9389178e+01; self-cons'cy = 1.0996e-01 [6.6673e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0800602e+01; self-cons'cy = 1.1042e-01 [6.6673e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4881910e+01; self-cons'cy = 9.7112e-02 [2.1173e-01 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.3882926e+00; self-cons'cy = 8.4809e-02 [2.1173e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3873343e+01; self-cons'cy = 4.8657e-02 [2.5361e-01 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.1454598e+00; self-cons'cy = 4.0073e-02 [2.5361e-01 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.6417816e+02; self-cons'cy = 5.5074e-03 [2.6396e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.7922095e+01; self-cons'cy = 1.8976e-02 [2.6396e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0323057e+01; self-cons'cy = 2.2607e-02 [2.6396e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.3908753e+01; self-cons'cy = 1.4147e-02 [4.5968e-02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1026117e+00; self-cons'cy = 1.5450e-02 [4.5968e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3529011e+01; self-cons'cy = 5.1086e-03 [4.7804e-02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0486427e+00; self-cons'cy = 5.3213e-03 [4.7804e-02 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.6459053e+02; self-cons'cy = 7.7986e-04 [3.1192e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8129679e+01; self-cons'cy = 2.7295e-03 [3.1192e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0389639e+01; self-cons'cy = 3.2146e-03 [3.1192e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4026674e+01; self-cons'cy = 1.7358e-03 [5.3588e-03 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1367582e+00; self-cons'cy = 1.8721e-03 [5.3588e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3558424e+01; self-cons'cy = 4.3842e-04 [3.7884e-03 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0566838e+00; self-cons'cy = 4.4413e-04 [3.7884e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.6453983e+02; self-cons'cy = 9.5809e-05 [3.9832e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8103988e+01; self-cons'cy = 3.3700e-04 [3.9832e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0381307e+01; self-cons'cy = 4.0113e-04 [3.9832e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4014138e+01; self-cons'cy = 1.8425e-04 [5.7648e-04 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1330995e+00; self-cons'cy = 2.0026e-04 [5.7648e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556589e+01; self-cons'cy = 2.7339e-05 [2.3069e-04 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562078e+00; self-cons'cy = 2.6284e-05 [2.3069e-04 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454530e+02; self-cons'cy = 1.0332e-05 [4.2814e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106762e+01; self-cons'cy = 3.6395e-05 [4.2814e-04 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382208e+01; self-cons'cy = 4.3396e-05 [4.2814e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015265e+01; self-cons'cy = 1.6571e-05 [5.1687e-05 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334278e+00; self-cons'cy = 1.7971e-05 [5.1687e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556599e+01; self-cons'cy = 1.4872e-07 [9.0788e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0788e-07 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454479e+02; self-cons'cy = 9.5900e-07 [3.9615e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106505e+01; self-cons'cy = 3.3759e-06 [3.9615e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382124e+01; self-cons'cy = 4.0303e-06 [3.9615e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015188e+01; self-cons'cy = 1.1322e-06 [3.5002e-06 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334056e+00; self-cons'cy = 1.2172e-06 [3.5002e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556620e+01; self-cons'cy = 3.1830e-07 [3.1616e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8527e-07 [3.1616e-06 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 7.0344e-08 [2.8758e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106524e+01; self-cons'cy = 2.4686e-07 [2.8758e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 2.9493e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4701e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6043e-08 [7.4701e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5588e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8508e-08 [6.5588e-07 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 2.5806e-09 [9.9726e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8975e-09 [9.9726e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0644e-08 [9.9726e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9133e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9133e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7845e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7845e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -1.242746325221577e+03 -3.381684998054079e+04 -3.381684998054079e+04 2 1/2 - -1.242672264330457e+03 -3.381483468104355e+04 -3.381483468104355e+04 3 1/2 + -1.241095721193293e+03 -3.377193475716098e+04 -3.377193475716098e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.576543137164435e+00 4.289992388256326e+01 4.289992388256326e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.650604028284306e+00 4.491522337981124e+01 4.491522337981124e+01 IsotopeShift.computeOutcomes(): The computation of the isotope-shift parameters starts now ... -------------------------------------------------------------------------------------------------- settings.levelSelection = Inactive LevelSelection. Selected IsotopeShift levels: ------------------------------------------- Level J^P Energy [eV] ------------------------------------------- 1 3/2 - -3.38168500e+04 2 1/2 - -3.38148347e+04 3 1/2 + -3.37719348e+04 ------------------------------------------- Compute mass-shift H^(NMS) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,A) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,B) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,C) matrix of dimension 3 x 3 ... done. lastPoint = 100 Compute field-shift H^(field-shift) amplitude matrix of dimension 3 x 3 ... done. Compute mass-shift H^(NMS) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,A) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,B) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,C) matrix of dimension 3 x 3 ... done. lastPoint = 100 Compute field-shift H^(field-shift) amplitude matrix of dimension 3 x 3 ... done. Compute mass-shift H^(NMS) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,A) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,B) matrix of dimension 3 x 3 ... done. Compute mass-shift H^(SMS,C) matrix of dimension 3 x 3 ... done. lastPoint = 100 Compute field-shift H^(field-shift) amplitude matrix of dimension 3 x 3 ... done. IsotopeShift parameters and amplitudes: Just take the difference K_i - K_f for transition lines. Boson mass = 0.0 ------------------------------------------------------------------------------------------------------------------------------------- Level J^P Energy K_nms K_sms K_ms F [ME] F [dens] X^(boson) [eV] [GHz u] [GHz u] [GHz u] [MHz/fm^2] [MHz/fm^2] a.u. ------------------------------------------------------------------------------------------------------------------------------------- 1 3/2 - -3.38168500e+04 2.26283e+06 -6.62466e+05 1.60037e+06 1.90843e+06 1.90843e+06 0.00000e+00 2 1/2 - -3.38148347e+04 2.26306e+06 -6.62792e+05 1.60027e+06 1.90835e+06 1.90835e+06 0.00000e+00 3 1/2 + -3.37719348e+04 2.26050e+06 -6.74282e+05 1.58622e+06 1.89379e+06 1.89379e+06 0.00000e+00 ------------------------------------------------------------------------------------------------------------------------------------- -------------------------------------------------------------------------------------------------------------------------------------------------------------- Level J^P Energy H^(nms) amplitude H^(sms,A) amplitude H^(sms,B) amplitude H^(sms,C) amplitude [eV] -------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 3/2 - -3.38168500e+04 6.26913e+02 0.00000e+00 -1.88207e+02 0.00000e+00 2.74232e+00 0.00000e+00 1.92921e+00 0.00000e+00 2 1/2 - -3.38148347e+04 6.26977e+02 0.00000e+00 -1.87993e+02 0.00000e+00 2.52480e+00 0.00000e+00 1.84266e+00 0.00000e+00 3 1/2 + -3.37719348e+04 6.26268e+02 0.00000e+00 -1.91539e+02 0.00000e+00 2.75072e+00 0.00000e+00 1.97999e+00 0.00000e+00 -------------------------------------------------------------------------------------------------------------------------------------------------------------- IsotopeShift parameters for individual transitions: ------------------------------------------------------------------------------------------------------------------------------------------------ Transition I -- J^P -- F Energy K_nms K_sms K_ms F [ME] F [dens] X^(boson) [eV] [GHz u] [GHz u] [GHz u] [MHz/fm^2] [MHz/fm^2] a.u. ------------------------------------------------------------------------------------------------------------------------------------------------ 1 -- 2 3/2 - -- 1/2 - 2.01529950e+00 -2.30580e+02 3.25536e+02 9.49562e+01 8.02298e+01 8.02298e+01 0.00000e+00 1 -- 3 3/2 - -- 1/2 + 4.49152234e+01 2.33115e+03 1.18152e+04 1.41464e+04 1.46399e+04 1.46399e+04 0.00000e+00 2 -- 3 1/2 - -- 1/2 + 4.28999239e+01 2.56173e+03 1.14897e+04 1.40514e+04 1.45596e+04 1.45596e+04 0.00000e+00 ------------------------------------------------------------------------------------------------------------------------------------------------ testModule_IsotopeShift():: [OK] Test the module AlphaVariation ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.5029089e+02; self-cons'cy = 1.5355e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.1584997e+01; self-cons'cy = 4.6033e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -8.6526635e+00; self-cons'cy = 6.2826e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8706682e+01; self-cons'cy = 4.9715e-01 [1.0000e+02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -7.9203641e+00; self-cons'cy = 6.5428e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.0729954e+01; self-cons'cy = 4.6752e-01 [1.0000e+02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -8.4407306e+00; self-cons'cy = 6.3388e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.6710415e+02; self-cons'cy = 3.2496e-02 [6.6673e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.9389178e+01; self-cons'cy = 1.0996e-01 [6.6673e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0800602e+01; self-cons'cy = 1.1042e-01 [6.6673e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4881910e+01; self-cons'cy = 9.7112e-02 [2.1173e-01 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.3882926e+00; self-cons'cy = 8.4809e-02 [2.1173e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3873343e+01; self-cons'cy = 4.8657e-02 [2.5361e-01 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.1454598e+00; self-cons'cy = 4.0073e-02 [2.5361e-01 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.6417816e+02; self-cons'cy = 5.5074e-03 [2.6396e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.7922095e+01; self-cons'cy = 1.8976e-02 [2.6396e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0323057e+01; self-cons'cy = 2.2607e-02 [2.6396e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.3908753e+01; self-cons'cy = 1.4147e-02 [4.5968e-02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1026117e+00; self-cons'cy = 1.5450e-02 [4.5968e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3529011e+01; self-cons'cy = 5.1086e-03 [4.7804e-02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0486427e+00; self-cons'cy = 5.3213e-03 [4.7804e-02 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.6459053e+02; self-cons'cy = 7.7986e-04 [3.1192e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8129679e+01; self-cons'cy = 2.7295e-03 [3.1192e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0389639e+01; self-cons'cy = 3.2146e-03 [3.1192e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4026674e+01; self-cons'cy = 1.7358e-03 [5.3588e-03 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1367582e+00; self-cons'cy = 1.8721e-03 [5.3588e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3558424e+01; self-cons'cy = 4.3842e-04 [3.7884e-03 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0566838e+00; self-cons'cy = 4.4413e-04 [3.7884e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.6453983e+02; self-cons'cy = 9.5809e-05 [3.9832e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8103988e+01; self-cons'cy = 3.3700e-04 [3.9832e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0381307e+01; self-cons'cy = 4.0113e-04 [3.9832e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4014138e+01; self-cons'cy = 1.8425e-04 [5.7648e-04 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1330995e+00; self-cons'cy = 2.0026e-04 [5.7648e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556589e+01; self-cons'cy = 2.7339e-05 [2.3069e-04 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562078e+00; self-cons'cy = 2.6284e-05 [2.3069e-04 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454530e+02; self-cons'cy = 1.0332e-05 [4.2814e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106762e+01; self-cons'cy = 3.6395e-05 [4.2814e-04 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382208e+01; self-cons'cy = 4.3396e-05 [4.2814e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015265e+01; self-cons'cy = 1.6571e-05 [5.1687e-05 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334278e+00; self-cons'cy = 1.7971e-05 [5.1687e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556599e+01; self-cons'cy = 1.4872e-07 [9.0788e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0788e-07 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454479e+02; self-cons'cy = 9.5900e-07 [3.9615e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106505e+01; self-cons'cy = 3.3759e-06 [3.9615e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382124e+01; self-cons'cy = 4.0303e-06 [3.9615e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015188e+01; self-cons'cy = 1.1322e-06 [3.5002e-06 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334056e+00; self-cons'cy = 1.2172e-06 [3.5002e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556620e+01; self-cons'cy = 3.1830e-07 [3.1616e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8527e-07 [3.1616e-06 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 7.0344e-08 [2.8758e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106524e+01; self-cons'cy = 2.4686e-07 [2.8758e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 2.9493e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4701e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6043e-08 [7.4701e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5588e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8508e-08 [6.5588e-07 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 2.5806e-09 [9.9726e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8975e-09 [9.9726e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0644e-08 [9.9726e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9133e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9133e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7845e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7845e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -1.242746325221577e+03 -3.381684998054079e+04 -3.381684998054079e+04 2 1/2 - -1.242672264330457e+03 -3.381483468104355e+04 -3.381483468104355e+04 3 1/2 + -1.241095721193293e+03 -3.377193475716098e+04 -3.377193475716098e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.576543137164435e+00 4.289992388256326e+01 4.289992388256326e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.650604028284306e+00 4.491522337981124e+01 4.491522337981124e+01 AlphaVariation.computeOutcomes(): The computation of the alpha-variation parameters starts now ... -------------------------------------------------------------------------------------------------- Selected AlphaVariation levels: ------------------------------------------- Level J^P Energy [eV] ------------------------------------------- 1 3/2 - -3.38168500e+04 2 1/2 - -3.38148347e+04 3 1/2 + -3.37719348e+04 ------------------------------------------- Alpha variation parameters: ---------------------------------------------------------------- Level J^P Energy K [eV] ---------------------------------------------------------------- 1 3/2 - 2.72113860e+01 2.00000000e+00 2 1/2 - 2.72113860e+01 2.00000000e+00 3 1/2 + 2.72113860e+01 2.00000000e+00 ---------------------------------------------------------------- testModule_AlphaVariation():: [OK] Test the module FormFactor ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.5029089e+02; self-cons'cy = 1.5355e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.1584997e+01; self-cons'cy = 4.6033e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -8.6526635e+00; self-cons'cy = 6.2826e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8706682e+01; self-cons'cy = 4.9715e-01 [1.0000e+02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -7.9203641e+00; self-cons'cy = 6.5428e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.0729954e+01; self-cons'cy = 4.6752e-01 [1.0000e+02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -8.4407306e+00; self-cons'cy = 6.3388e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.6710415e+02; self-cons'cy = 3.2496e-02 [6.6673e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.9389178e+01; self-cons'cy = 1.0996e-01 [6.6673e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0800602e+01; self-cons'cy = 1.1042e-01 [6.6673e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4881910e+01; self-cons'cy = 9.7112e-02 [2.1173e-01 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.3882926e+00; self-cons'cy = 8.4809e-02 [2.1173e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3873343e+01; self-cons'cy = 4.8657e-02 [2.5361e-01 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.1454598e+00; self-cons'cy = 4.0073e-02 [2.5361e-01 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.6417816e+02; self-cons'cy = 5.5074e-03 [2.6396e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.7922095e+01; self-cons'cy = 1.8976e-02 [2.6396e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0323057e+01; self-cons'cy = 2.2607e-02 [2.6396e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.3908753e+01; self-cons'cy = 1.4147e-02 [4.5968e-02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1026117e+00; self-cons'cy = 1.5450e-02 [4.5968e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3529011e+01; self-cons'cy = 5.1086e-03 [4.7804e-02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0486427e+00; self-cons'cy = 5.3213e-03 [4.7804e-02 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.6459053e+02; self-cons'cy = 7.7986e-04 [3.1192e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8129679e+01; self-cons'cy = 2.7295e-03 [3.1192e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0389639e+01; self-cons'cy = 3.2146e-03 [3.1192e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4026674e+01; self-cons'cy = 1.7358e-03 [5.3588e-03 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1367582e+00; self-cons'cy = 1.8721e-03 [5.3588e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3558424e+01; self-cons'cy = 4.3842e-04 [3.7884e-03 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0566838e+00; self-cons'cy = 4.4413e-04 [3.7884e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.6453983e+02; self-cons'cy = 9.5809e-05 [3.9832e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8103988e+01; self-cons'cy = 3.3700e-04 [3.9832e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0381307e+01; self-cons'cy = 4.0113e-04 [3.9832e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4014138e+01; self-cons'cy = 1.8425e-04 [5.7648e-04 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1330995e+00; self-cons'cy = 2.0026e-04 [5.7648e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556589e+01; self-cons'cy = 2.7339e-05 [2.3069e-04 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562078e+00; self-cons'cy = 2.6284e-05 [2.3069e-04 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454530e+02; self-cons'cy = 1.0332e-05 [4.2814e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106762e+01; self-cons'cy = 3.6395e-05 [4.2814e-04 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382208e+01; self-cons'cy = 4.3396e-05 [4.2814e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015265e+01; self-cons'cy = 1.6571e-05 [5.1687e-05 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334278e+00; self-cons'cy = 1.7971e-05 [5.1687e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556599e+01; self-cons'cy = 1.4872e-07 [9.0788e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0788e-07 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454479e+02; self-cons'cy = 9.5900e-07 [3.9615e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106505e+01; self-cons'cy = 3.3759e-06 [3.9615e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382124e+01; self-cons'cy = 4.0303e-06 [3.9615e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015188e+01; self-cons'cy = 1.1322e-06 [3.5002e-06 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334056e+00; self-cons'cy = 1.2172e-06 [3.5002e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556620e+01; self-cons'cy = 3.1830e-07 [3.1616e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8527e-07 [3.1616e-06 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 7.0344e-08 [2.8758e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106524e+01; self-cons'cy = 2.4686e-07 [2.8758e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 2.9493e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4701e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6043e-08 [7.4701e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5588e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8508e-08 [6.5588e-07 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 2.5806e-09 [9.9726e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8975e-09 [9.9726e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0644e-08 [9.9726e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9133e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9133e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7845e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7845e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -1.242746325221577e+03 -3.381684998054079e+04 -3.381684998054079e+04 2 1/2 - -1.242672264330457e+03 -3.381483468104355e+04 -3.381483468104355e+04 3 1/2 + -1.241095721193293e+03 -3.377193475716098e+04 -3.377193475716098e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.576543137164435e+00 4.289992388256326e+01 4.289992388256326e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.650604028284306e+00 4.491522337981124e+01 4.491522337981124e+01 FormFactor.computeOutcomes(): The computation of the atomic form factors starts now ... ------------------------------------------------------------------------------------------- Selected FormFactor levels: -------------------------------------------------------------------------------------- Level J^P Energy q-values ... [eV] [a.u.] -------------------------------------------------------------------------------------- 1 3/2 - -3.38168500e+04 1.00e-01, 2 1/2 - -3.38148347e+04 1.00e-01, 3 1/2 + -3.37719348e+04 1.00e-01, -------------------------------------------------------------------------------------- Standard and modified atomic form factors [note F^(standard) (0) = N_e]: ---------------------------------------------------------------------------------------- Level J^P Energy q [a.u.] standard F modified F [eV] ---------------------------------------------------------------------------------------- 1 3/2 - -3.38168500e+04 1.00000e-01 1.69916e+01 1.69827e+01 2 1/2 - -3.38148347e+04 1.00000e-01 1.69916e+01 1.69826e+01 3 1/2 + -3.37719348e+04 1.00000e-01 1.69916e+01 1.69827e+01 ---------------------------------------------------------------------------------------- testModule_FormFactor():: [OK] Test the module DecayYield ... >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^2 2p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -4.6238168e+01; self-cons'cy = 2.1880e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.4856396e+00; self-cons'cy = 6.7619e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.6891643e+00; self-cons'cy = 7.4058e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3567500e+00; self-cons'cy = 6.8578e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -5.3328105e+01; self-cons'cy = 7.1208e-02 [3.0452e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -5.5744874e+00; self-cons'cy = 2.3055e-01 [3.0452e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -4.2356832e+00; self-cons'cy = 2.2333e-01 [2.2333e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.8396152e+00; self-cons'cy = 6.7098e-02 [6.7098e-02 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -5.1140298e+01; self-cons'cy = 2.0942e-02 [1.2939e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.7550878e+00; self-cons'cy = 7.9326e-02 [1.2939e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7015454e+00; self-cons'cy = 6.7295e-02 [6.7295e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7700036e+00; self-cons'cy = 9.1478e-03 [9.1478e-03 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -5.1631458e+01; self-cons'cy = 4.7791e-03 [2.5038e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.9256473e+00; self-cons'cy = 1.7618e-02 [2.5038e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7875865e+00; self-cons'cy = 1.1489e-02 [1.1489e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7569085e+00; self-cons'cy = 1.7398e-03 [1.7398e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -5.1551654e+01; self-cons'cy = 7.7342e-04 [4.2067e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8971608e+00; self-cons'cy = 2.9000e-03 [4.2067e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7797115e+00; self-cons'cy = 1.0407e-03 [1.0407e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7659530e+00; self-cons'cy = 1.2023e-03 [1.2023e-03 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -5.1555972e+01; self-cons'cy = 4.1876e-05 [2.0572e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8987164e+00; self-cons'cy = 1.5880e-04 [2.0572e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7778176e+00; self-cons'cy = 2.5060e-04 [2.5060e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7629992e+00; self-cons'cy = 3.9232e-04 [3.9232e-04 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -5.1558794e+01; self-cons'cy = 2.7373e-05 [1.5462e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8997087e+00; self-cons'cy = 1.0127e-04 [1.5462e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7790445e+00; self-cons'cy = 1.6236e-04 [1.6236e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7636845e+00; self-cons'cy = 9.1050e-05 [9.1050e-05 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -5.1557391e+01; self-cons'cy = 1.3606e-05 [7.5172e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8992131e+00; self-cons'cy = 5.0578e-05 [7.5172e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7786516e+00; self-cons'cy = 5.1989e-05 [5.1989e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7635746e+00; self-cons'cy = 1.4612e-05 [1.4612e-05 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -5.1557802e+01; self-cons'cy = 3.9857e-06 [2.1822e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8993585e+00; self-cons'cy = 1.4844e-05 [2.1822e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7787415e+00; self-cons'cy = 1.1900e-05 [1.1900e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7635800e+00; self-cons'cy = 7.2005e-07 [7.2005e-07 for sym-block kappa = -2] Iteration 10 for symmetries ... 1s_1/2:: en [a.u.] = -5.1557715e+01; self-cons'cy = 8.4520e-07 [4.5889e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8993276e+00; self-cons'cy = 3.1532e-06 [4.5889e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7787274e+00; self-cons'cy = 1.8678e-06 [1.8678e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7635841e+00; self-cons'cy = 5.4925e-07 [5.4925e-07 for sym-block kappa = -2] Iteration 11 for symmetries ... 1s_1/2:: en [a.u.] = -5.1557727e+01; self-cons'cy = 1.1569e-07 [6.1753e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8993319e+00; self-cons'cy = 4.3310e-07 [6.1753e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7787280e+00; self-cons'cy = 7.7106e-08 [7.7106e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7635821e+00; self-cons'cy = 2.6639e-07 [2.6639e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -1.500861571532573e+02 -4.084052358555670e+03 -4.084052358555670e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] DecayYield.computeOutcomes(): The computation of the fluorescence & Auger yields starts now ... ----------------------------------------------------------------------------------------------- Selected DecayYield levels: ------------------------------------------- Level J^P Energy [eV] ------------------------------------------- 1 1/2 + -4.08405236e+03 ------------------------------------------- Perform a cascade computation for all radiative decay channels of the levels from the initial configurations: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) * Configurations and levels for all given initial multiplets of the cascade, relative to the lowest: Configuration: 1s^1 2s^2 2p^6 -------------------------------------------- Level J Parity Energy [eV] -------------------------------------------- 1 1/2 + 0.000000000000000e+00 -------------------------------------------- (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 1s) shList = Shell[1s, 2s, 2p] ("a", newConfigs) = ("a", Configuration[Configuration: 1s^1 2s^2 2p^6 ]) (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 2p) shList = Shell[1s, 2s, 2p] * Electron configuration(s) used: decay Configuration(s) with 9 electrons: 1s^1 2s^2 2p^6 av. BE = -1777.0 [eV] (1) 1s^2 2s^1 2p^6 av. BE = -2992.0 [eV] (2) 1s^2 2s^2 2p^5 av. BE = -3031.0 [eV] (3) A total of 3 configuration have been defined for this decay cascade, and selected configurations could be removed here: [currently not supported] * Electron configuration(s) used: OLD decay Configuration(s) with 9 electrons: 1s^1 2s^2 2p^6 av. BE = -1777.0 [eV] (1) 1s^2 2s^1 2p^6 av. BE = -2992.0 [eV] (2) 1s^2 2s^2 2p^5 av. BE = -3031.0 [eV] (3) A total of 3 configuration have been defined for this OLD decay cascade, and selected configurations could be removed here: [currently not supported] * Generate blocks for the decay cascade: In the cascade approach JenaAtomicCalculator.Cascade.SCA(), the following assumptions/simplifications are made: + orbitals are generated independently for each multiplet (block); + configuration interaction is included for each block; + only E1 dipole transitions are applied in all radiative decay stets; Multiplet computations for 1s^1 2s^2 2p^6 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 1 CSF done. Multiplet computations for 1s^2 2s^1 2p^6 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 1 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 2 CSF done. * Configuration 'blocks' (multiplets): for the decay cascade ------------------------------------------------------------------------------------------------------------------------------------------------------ No. Configurations No. CSF Range of total energies [eV] ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 [Core] 1s^1 2s^2 2p^6 1 -4084.0 ... -4084.0 2 [He] 2s^1 2p^6 1 -5299.0 ... -5299.0 3 [Be] 2p^5 2 -5340.0 ... -5340.0 ------------------------------------------------------------------------------------------------------------------------------------------------------ * Steps that are defined for the current decay cascade due to the given approach: -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Step-No Process Initial: No CSF, configuration(s) Final: No CSF, configuration(s) Energies from ... to in [eV] -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 Radiative 1, [Core] 1s^1 2s^2 2p^6 1, [He] 2s^1 2p^6 1215.0 ... 1215.0 2 Radiative 1, [Core] 1s^1 2s^2 2p^6 2, [Be] 2p^5 1256.0 ... 1256.0 3 Radiative 1, [He] 2s^1 2p^6 2, [Be] 2p^5 41.0 ... 41.0 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- * Here, modify the individual steps explicitly in the code, if needed, ...... and just do it !! A total of 3 steps are still defined in the cascade. 1) Perform Radiative amplitude computations for up to 1 decay lines (without selection rules): Step 1:: A total of 0 Radiative lines are calculated, giving now rise to a total of 0 Radiative decay lines. 2) Perform Radiative amplitude computations for up to 2 decay lines (without selection rules): Step 2:: A total of 2 Radiative lines are calculated, giving now rise to a total of 2 Radiative decay lines. 3) Perform Radiative amplitude computations for up to 2 decay lines (without selection rules): Step 3:: A total of 2 Radiative lines are calculated, giving now rise to a total of 4 Radiative decay lines. 0.459606 seconds (198.93 k allocations: 10.615 MiB, 99.41% compilation time) typeof(data) = Vector{JenaAtomicCalculator.Cascade.Data} Perform a cascade computation for all (single-electron) Auger decay channels of the levels from the initial configurations: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) * Configurations and levels for all given initial multiplets of the cascade, relative to the lowest: Configuration: 1s^1 2s^2 2p^6 -------------------------------------------- Level J Parity Energy [eV] -------------------------------------------- 1 1/2 + 0.000000000000000e+00 -------------------------------------------- (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^6 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^5 , 2p) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^0 2p^6 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^5 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^5 , 2p) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^4 , 2p) shList = Shell[1s, 2s, 2p] ("a", newConfigs) = ("a", Configuration[Configuration: 1s^1 2s^2 2p^6 ]) (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^1 2s^2 2p^6 , 2p) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^0 2p^6 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^0 2p^6 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^0 2p^6 , 2p) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^5 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^5 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^1 2p^5 , 2p) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^4 , 1s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^4 , 2s) shList = Shell[1s, 2s, 2p] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^4 , 2p) shList = Shell[1s, 2s, 2p] * Electron configuration(s) used: decay Configuration(s) with 9 electrons: 1s^1 2s^2 2p^6 av. BE = -1777.0 [eV] (1) 1s^2 2s^1 2p^6 av. BE = -2992.0 [eV] (2) 1s^2 2s^2 2p^5 av. BE = -3031.0 [eV] (3) Configuration(s) with 8 electrons: 1s^2 2s^0 2p^6 av. BE = -2903.0 [eV] (4) 1s^2 2s^1 2p^5 av. BE = -2942.0 [eV] (5) 1s^2 2s^2 2p^4 av. BE = -2981.0 [eV] (6) A total of 6 configuration have been defined for this decay cascade, and selected configurations could be removed here: [currently not supported] * Electron configuration(s) used: OLD decay Configuration(s) with 9 electrons: 1s^1 2s^2 2p^6 av. BE = -1777.0 [eV] (1) 1s^2 2s^1 2p^6 av. BE = -2992.0 [eV] (2) 1s^2 2s^2 2p^5 av. BE = -3031.0 [eV] (3) Configuration(s) with 8 electrons: 1s^2 2s^0 2p^6 av. BE = -2903.0 [eV] (4) 1s^2 2s^1 2p^5 av. BE = -2942.0 [eV] (5) 1s^2 2s^2 2p^4 av. BE = -2981.0 [eV] (6) A total of 6 configuration have been defined for this OLD decay cascade, and selected configurations could be removed here: [currently not supported] * Generate blocks for the decay cascade: In the cascade approach JenaAtomicCalculator.Cascade.SCA(), the following assumptions/simplifications are made: + orbitals are generated independently for each multiplet (block); + configuration interaction is included for each block; + only E1 dipole transitions are applied in all radiative decay stets; Multiplet computations for 1s^1 2s^2 2p^6 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 1 CSF done. Multiplet computations for 1s^2 2s^1 2p^6 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 1 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 with 9 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 2 CSF done. Multiplet computations for 1s^2 2s^0 2p^6 with 8 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 1 CSF done. Multiplet computations for 1s^2 2s^1 2p^5 with 8 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 4 CSF done. Multiplet computations for 1s^2 2s^2 2p^4 with 8 electrons ... ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94234160e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49293434e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33063655e-07 4 4s_1/2 -4.50703191e+00 -4.50703270e+00 +1.74836072e-07 5 5s_1/2 -2.88376567e+00 -2.88376608e+00 +1.42265410e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17296084e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437812e-03 : : 115 115s_1/2 +1.07020758e+08 -5.44459577e-03 +1.00000000e+00 116 116s_1/2 +2.82327998e+08 -5.35112502e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76436307e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76355124e-10 3 4p_1/2 -4.50703270e+00 -4.50703270e+00 +2.96226144e-10 4 5p_1/2 -2.88376608e+00 -2.88376608e+00 +1.99020694e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252264e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852423e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952147e-01 : : 115 116p_1/2 +1.30909743e+08 -5.35112502e-03 +1.00000000e+00 116 117p_1/2 +6.75300827e+08 -5.26004076e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.66108365e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +1.25929759e-12 3 4p_3/2 -4.50269857e+00 -4.50269857e+00 +1.76542950e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78564957e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76687323e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72561979e-03 7 8p_3/2 -1.02088908e+00 -1.12543844e+00 +1.02410105e-01 : : 115 116p_3/2 +1.75141312e+08 -5.35094755e-03 +1.00000000e+00 116 117p_3/2 +6.75797187e+08 -5.25986781e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) and 5 CSF done. * Configuration 'blocks' (multiplets): for the decay cascade ------------------------------------------------------------------------------------------------------------------------------------------------------ No. Configurations No. CSF Range of total energies [eV] ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 [Core] 1s^1 2s^2 2p^6 1 -4084.0 ... -4084.0 2 [He] 2s^1 2p^6 1 -5299.0 ... -5299.0 3 [Be] 2p^5 2 -5340.0 ... -5340.0 4 [He] 2s^0 2p^6 1 -5148.0 ... -5148.0 5 [He] 2s^1 2p^5 4 -5196.0 ... -5181.0 6 [Be] 2p^4 5 -5233.0 ... -5221.0 ------------------------------------------------------------------------------------------------------------------------------------------------------ * Steps that are defined for the current decay cascade due to the given approach: -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Step-No Process Initial: No CSF, configuration(s) Final: No CSF, configuration(s) Energies from ... to in [eV] -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 Auger 1, [Core] 1s^1 2s^2 2p^6 1, [He] 2s^0 2p^6 1064.0 ... 1064.0 2 Auger 1, [Core] 1s^1 2s^2 2p^6 4, [He] 2s^1 2p^5 1097.0 ... 1112.0 3 Auger 1, [Core] 1s^1 2s^2 2p^6 5, [Be] 2p^4 1137.0 ... 1149.0 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- * Here, modify the individual steps explicitly in the code, if needed, ...... and just do it !! A total of 3 steps are still defined in the cascade. 1) Perform Auger amplitude computations for up to 1 decay lines (without selection rules): augerEnergyShift = 0.0 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9092e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.0836e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=4.4409e-16) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = -1.5526140998057354, cPhase = 0.22821147295577582 Step 1:: A total of 1 Auger lines are calculated, giving now rise to a total of 1 Auger decay lines. 2) Perform Auger amplitude computations for up to 4 decay lines (without selection rules): augerEnergyShift = 0.0 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0877e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.3337e-12]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=4.4409e-16) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9649035727551212, cPhase = -0.19292546449302606 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0877e+01, kappa=3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.4058e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=4.4409e-16) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.3957299761596679, cPhase = -0.5573560471040397 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0869e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.3199e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9651212092070763, cPhase = -0.1929449125643541 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0869e+01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.0325e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9696666504642333, cPhase = -0.1918288698519301 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0865e+01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.5107e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9697797582355003, cPhase = -0.19183883167188961 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0304e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.2832e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9677299616569608, cPhase = -0.19436752770051013 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.0304e+01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.2029e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9722679688323437, cPhase = -0.1932560967741965 Step 2:: A total of 4 Auger lines are calculated, giving now rise to a total of 5 Auger decay lines. 3) Perform Auger amplitude computations for up to 5 decay lines (without selection rules): augerEnergyShift = 0.0 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2210e+01, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.2088e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6020479079336477, cPhase = -0.4044389459009583 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2210e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.0826e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6033274973118177, cPhase = -0.40390777189226346 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2202e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.0322e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 1.5694736607375748, cPhase = 0.22184865967437828 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2202e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.1133e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6035122556154551, cPhase = -0.4039474046325532 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2198e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.0292e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 1.5695704539058692, cPhase = 0.2218559380696119 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2038e+01, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.1116e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6023630698877966, cPhase = -0.4052712141061172 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2038e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.9565e-10]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6036409873586952, cPhase = -0.40474084623157425 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.1786e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=8.1098e-11]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = -1.5689233141877472, cPhase = 0.22266988401176224 Step 3:: A total of 5 Auger lines are calculated, giving now rise to a total of 10 Auger decay lines. 5.104925 seconds (51.73 M allocations: 944.726 MiB, 4.17% gc time, 22.52% compilation time) typeof(data) = Vector{JenaAtomicCalculator.Cascade.Data} levelKey = LevelKey[1/2 + (1), en=-150.08615715325735, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-150.08615715325735, occ=0.0] ** compareKey = LevelKey[1/2 + (1), en=-150.08615715325735, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-150.08615715325735, occ=0.0] ** compareKey = LevelKey[1/2 + (1), en=-150.08615715325735, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-194.74202177808738, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-194.74202177808738, occ=0.0] Fluorescence and Auger decay yields: + No_R, rate_R, omega_R ... number of fluorescence lines, total fluorescence rate and yield. + No_A, rate_A, omega_A ... number of Auger lines, total Auger rate and Auger yield. + Approach: SCA ... all fluorescence rates and yields only in Babushkin gauge. ----------------------------------------------------------------------------------------------------------------------------------------------------- Level J^P Energy No_R Cou -- rate_R -- Bab Cou -- omega_R -- Bab No_A rate_A Cou -- omega_A -- Bab [eV] ----------------------------------------------------------------------------------------------------------------------------------------------------- 1 1/2 + -4.08405236e+03 0002 4.1864e-04 4.3091e-04 3.2439e-02 3.3358e-02 0010 1.2487e-02 9.6756e-01 9.6664e-01 ----------------------------------------------------------------------------------------------------------------------------------------------------- testModule_DecayYield():: [OK] Test the module MultipolePolarizibility ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095880e+02 -3.41097837e+02 +5.73702669e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997752e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744968e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319823e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367670e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604686e-02 7 7s_1/2 -8.90110829e+00 -6.93005925e+00 -2.21438609e-01 : : 61 61s_1/2 +1.07227697e+09 -9.08892574e-02 +1.00000000e+00 62 62s_1/2 +2.82407849e+09 -8.79801654e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689642e+01 -8.54689584e+01 -6.80044266e-08 2 3p_1/2 -3.78995278e+01 -3.78994478e+01 -2.11029628e-06 3 4p_1/2 -2.12837496e+01 -2.12819385e+01 -8.50929623e-05 4 5p_1/2 -1.36166000e+01 -1.36039714e+01 -9.27444839e-04 5 6p_1/2 -9.52949445e+00 -9.43887322e+00 -9.50955316e-03 6 7p_1/2 -7.59091726e+00 -6.93005925e+00 -8.70590459e-02 7 8p_1/2 -6.26393447e+00 -5.30306679e+00 -1.53396828e-01 : : 61 62p_1/2 +1.31132294e+09 -8.79801654e-02 +1.00000000e+00 62 63p_1/2 +6.75305527e+09 -8.52085372e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909855e+01 -8.46909743e+01 -1.32098527e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772569e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91463972e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615578e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896165e+00 -6.91195226e+00 -2.43682977e-01 7 8p_3/2 -6.57904686e+00 -5.29094223e+00 -1.95788943e-01 : : 61 62p_3/2 +1.75358997e+09 -8.79542121e-02 +1.00000000e+00 62 63p_3/2 +6.75816225e+09 -8.51838006e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -2.5029089e+02; self-cons'cy = 1.5355e-01 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.1584997e+01; self-cons'cy = 4.6033e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -8.6526635e+00; self-cons'cy = 6.2826e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8706682e+01; self-cons'cy = 4.9715e-01 [1.0000e+02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -7.9203641e+00; self-cons'cy = 6.5428e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.0729954e+01; self-cons'cy = 4.6752e-01 [1.0000e+02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -8.4407306e+00; self-cons'cy = 6.3388e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -2.6710415e+02; self-cons'cy = 3.2496e-02 [6.6673e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.9389178e+01; self-cons'cy = 1.0996e-01 [6.6673e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0800602e+01; self-cons'cy = 1.1042e-01 [6.6673e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4881910e+01; self-cons'cy = 9.7112e-02 [2.1173e-01 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.3882926e+00; self-cons'cy = 8.4809e-02 [2.1173e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3873343e+01; self-cons'cy = 4.8657e-02 [2.5361e-01 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.1454598e+00; self-cons'cy = 4.0073e-02 [2.5361e-01 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -2.6417816e+02; self-cons'cy = 5.5074e-03 [2.6396e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.7922095e+01; self-cons'cy = 1.8976e-02 [2.6396e-01 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0323057e+01; self-cons'cy = 2.2607e-02 [2.6396e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.3908753e+01; self-cons'cy = 1.4147e-02 [4.5968e-02 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1026117e+00; self-cons'cy = 1.5450e-02 [4.5968e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3529011e+01; self-cons'cy = 5.1086e-03 [4.7804e-02 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0486427e+00; self-cons'cy = 5.3213e-03 [4.7804e-02 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -2.6459053e+02; self-cons'cy = 7.7986e-04 [3.1192e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8129679e+01; self-cons'cy = 2.7295e-03 [3.1192e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0389639e+01; self-cons'cy = 3.2146e-03 [3.1192e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4026674e+01; self-cons'cy = 1.7358e-03 [5.3588e-03 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1367582e+00; self-cons'cy = 1.8721e-03 [5.3588e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3558424e+01; self-cons'cy = 4.3842e-04 [3.7884e-03 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0566838e+00; self-cons'cy = 4.4413e-04 [3.7884e-03 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -2.6453983e+02; self-cons'cy = 9.5809e-05 [3.9832e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8103988e+01; self-cons'cy = 3.3700e-04 [3.9832e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0381307e+01; self-cons'cy = 4.0113e-04 [3.9832e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4014138e+01; self-cons'cy = 1.8425e-04 [5.7648e-04 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1330995e+00; self-cons'cy = 2.0026e-04 [5.7648e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556589e+01; self-cons'cy = 2.7339e-05 [2.3069e-04 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562078e+00; self-cons'cy = 2.6284e-05 [2.3069e-04 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454530e+02; self-cons'cy = 1.0332e-05 [4.2814e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106762e+01; self-cons'cy = 3.6395e-05 [4.2814e-04 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382208e+01; self-cons'cy = 4.3396e-05 [4.2814e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015265e+01; self-cons'cy = 1.6571e-05 [5.1687e-05 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334278e+00; self-cons'cy = 1.7971e-05 [5.1687e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556599e+01; self-cons'cy = 1.4872e-07 [9.0788e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0788e-07 for sym-block kappa = -2] Iteration 7 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454479e+02; self-cons'cy = 9.5900e-07 [3.9615e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106505e+01; self-cons'cy = 3.3759e-06 [3.9615e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382124e+01; self-cons'cy = 4.0303e-06 [3.9615e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015188e+01; self-cons'cy = 1.1322e-06 [3.5002e-06 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334056e+00; self-cons'cy = 1.2172e-06 [3.5002e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556620e+01; self-cons'cy = 3.1830e-07 [3.1616e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8527e-07 [3.1616e-06 for sym-block kappa = -2] Iteration 8 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 7.0344e-08 [2.8758e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106524e+01; self-cons'cy = 2.4686e-07 [2.8758e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 2.9493e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4701e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6043e-08 [7.4701e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5588e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8508e-08 [6.5588e-07 for sym-block kappa = -2] Iteration 9 for symmetries ... 1s_1/2:: en [a.u.] = -2.6454483e+02; self-cons'cy = 2.5806e-09 [9.9726e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8975e-09 [9.9726e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0644e-08 [9.9726e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9133e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9133e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7845e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7845e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -1.242746325221577e+03 -3.381684998054079e+04 -3.381684998054079e+04 2 1/2 - -1.242672264330457e+03 -3.381483468104355e+04 -3.381483468104355e+04 3 1/2 + -1.241095721193293e+03 -3.377193475716098e+04 -3.377193475716098e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.576543137164435e+00 4.289992388256326e+01 4.289992388256326e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 7.406089111987058e-02 2.015299497247988e+00 2.015299497247988e+00 3 1/2 + 1.650604028284306e+00 4.491522337981124e+01 4.491522337981124e+01 MultipolePolarizibility.computeOutcomes(): The computation of multipole polarizibilities starts now ... ------------------------------------------------------------------------------------------------------- Multipole polarizibilities and amplitudes: ---------------------------------------------------------------- Level J^P Energy xxx [eV] ---------------------------------------------------------------- 1 3/2 - 2.72113860e+01 2 1/2 - 2.72113860e+01 3 1/2 + 2.72113860e+01 ---------------------------------------------------------------- testModule_MultipolePolarizibility():: [OK] Test the module PhotoEmission ... >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572818e+02 -6.59583512e+02 +1.62129646e-05 2 2s_1/2 -1.65624908e+02 -1.65626275e+02 +8.25380466e-06 3 3s_1/2 -7.32848255e+01 -7.32847802e+01 -6.18829677e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176869e-03 6 6s_1/2 -1.96012234e+01 -1.81861550e+01 -7.21928645e-02 7 7s_1/2 -1.73099251e+01 -1.33439712e+01 -2.29114445e-01 : : 61 61s_1/2 +1.07217980e+09 -1.74345027e-01 +1.00000000e+00 62 62s_1/2 +2.82403709e+09 -1.68763288e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626269e+02 -1.65626275e+02 +3.51600655e-08 2 3p_1/2 -7.32849532e+01 -7.32847802e+01 -2.36117317e-06 3 4p_1/2 -4.10886916e+01 -4.10855060e+01 -7.75295294e-05 4 5p_1/2 -2.62516709e+01 -2.62329647e+01 -7.12568283e-04 5 6p_1/2 -1.83144880e+01 -1.81861550e+01 -7.00718586e-03 6 7p_1/2 -1.45572125e+01 -1.33439712e+01 -8.33429684e-02 7 8p_1/2 -1.22268086e+01 -1.02061694e+01 -1.65263016e-01 : : 61 62p_1/2 +1.31121661e+09 -1.68763288e-01 +1.00000000e+00 62 63p_1/2 +6.75303363e+09 -1.63445372e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704879e+02 -1.62704858e+02 -1.30004330e-07 2 3p_3/2 -7.24182136e+01 -7.24179626e+01 -3.46648311e-06 3 4p_3/2 -4.07283459e+01 -4.07203638e+01 -1.95983472e-04 4 5p_3/2 -2.61758836e+01 -2.60463105e+01 -4.95009559e-03 5 6p_3/2 -2.18542327e+01 -1.80782839e+01 -1.72778831e-01 6 7p_3/2 -1.76630982e+01 -1.32761162e+01 -2.48369905e-01 7 8p_3/2 -1.27429419e+01 -1.01607532e+01 -2.02636782e-01 : : 61 62p_3/2 +1.75348509e+09 -1.68666399e-01 +1.00000000e+00 62 63p_3/2 +6.75813749e+09 -1.63353026e-01 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.3041907e+02; self-cons'cy = 2.2600e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4997690e+02; self-cons'cy = 4.9582e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4793527e+02; self-cons'cy = 5.6420e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4534845e+02; self-cons'cy = 5.6342e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094980e+02; self-cons'cy = 4.2076e-04 [2.7989e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014854e+02; self-cons'cy = 5.7190e-04 [2.7989e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4810042e+02; self-cons'cy = 5.5787e-04 [1.7283e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4546110e+02; self-cons'cy = 3.8736e-04 [2.6853e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094141e+02; self-cons'cy = 6.6475e-06 [4.0109e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014603e+02; self-cons'cy = 8.3642e-06 [4.0109e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809829e+02; self-cons'cy = 7.2019e-06 [2.2011e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545982e+02; self-cons'cy = 4.4225e-06 [3.0533e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094153e+02; self-cons'cy = 9.1538e-08 [5.3473e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014606e+02; self-cons'cy = 1.1093e-07 [5.3473e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809832e+02; self-cons'cy = 8.7015e-08 [2.6570e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545983e+02; self-cons'cy = 5.0803e-08 [3.5069e-07 for sym-block kappa = -2] >>> Sign changed for orbital 2p_3/2 > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -9.711504212090781e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900309e+02 -2.641024081452560e+04 -2.641024081452560e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011058e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021923e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409183e+02 -2.627848043032709e+04 -2.627848043032709e+04 9 3/2 - -9.654536134553871e+02 -2.627133096013840e+04 -2.627133096013840e+04 10 3/2 + -9.653919986814907e+02 -2.626965433674137e+04 -2.626965433674137e+04 11 5/2 + -9.647923902465742e+02 -2.625333816015801e+04 -2.625333816015801e+04 12 1/2 + -9.642045522528894e+02 -2.623734227359463e+04 -2.623734227359463e+04 13 3/2 + -9.640667525534584e+02 -2.623359255277998e+04 -2.623359255277998e+04 14 5/2 + -9.623019411297864e+02 -2.618556958787793e+04 -2.618556958787793e+04 15 3/2 + -9.614491258240491e+02 -2.616236330138975e+04 -2.616236330138975e+04 16 1/2 + -9.606774849128176e+02 -2.614136588268540e+04 -2.614136588268540e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 4.970533204115100e-01 1.352550977424034e+01 1.352550977424034e+01 4 1/2 - 1.725506968513628e+00 4.695343620042431e+01 4.695343620042431e+01 5 5/2 - 2.557640715224352e-01 6.959694880243873e+00 6.959694880243873e+00 6 1/2 + 9.990003273910588e-01 2.718418354274448e+01 2.718418354274448e+01 7 3/2 - 6.065623376754274e-01 1.650540191567964e+01 1.650540191567964e+01 8 1/2 - 7.582178235985566e-01 2.063215788518459e+01 2.063215788518459e+01 9 3/2 - 2.627381855312478e-01 7.149470188685163e+00 7.149470188685163e+00 10 3/2 + 6.161477389639458e-02 1.676623397029812e+00 1.676623397029812e+00 11 5/2 + 5.996084349164903e-01 1.631617658336067e+01 1.631617658336067e+01 12 1/2 + 5.878379936848432e-01 1.599588656338059e+01 1.599588656338059e+01 13 3/2 + 1.377996994309569e-01 3.749720814655743e+00 3.749720814655743e+00 14 5/2 + 1.764811423671972e+00 4.802296490204380e+01 4.802296490204380e+01 15 3/2 + 8.528153057372947e-01 2.320628648818185e+01 2.320628648818185e+01 16 1/2 + 7.716409112315432e-01 2.099741870434607e+01 2.099741870434607e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 1.089018039458665e+00 2.963369025445332e+01 2.963369025445332e+01 4 1/2 - 2.814525007972293e+00 7.658712645487763e+01 7.658712645487763e+01 5 5/2 - 3.070289079494728e+00 8.354682133512151e+01 8.354682133512151e+01 6 1/2 + 4.069289406885787e+00 1.107310048778660e+02 1.107310048778660e+02 7 3/2 - 4.675851744561214e+00 1.272364067935456e+02 1.272364067935456e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691019e+00 1.550180348674154e+02 1.550180348674154e+02 10 3/2 + 5.758422527587413e+00 1.566946582644452e+02 1.566946582644452e+02 11 5/2 + 6.358030962503904e+00 1.730108348478059e+02 1.730108348478059e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619704e+00 1.927564422258422e+02 1.927564422258422e+02 14 5/2 + 8.848480079291676e+00 2.407794071278860e+02 2.407794071278860e+02 15 3/2 + 9.701295385028970e+00 2.639856936160679e+02 2.639856936160679e+02 16 1/2 + 1.047293629626051e+01 2.849831123204139e+02 2.849831123204139e+02 >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572818e+02 -6.59583512e+02 +1.62129646e-05 2 2s_1/2 -1.65624908e+02 -1.65626275e+02 +8.25380466e-06 3 3s_1/2 -7.32848255e+01 -7.32847802e+01 -6.18829677e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176869e-03 6 6s_1/2 -1.96012234e+01 -1.81861550e+01 -7.21928645e-02 7 7s_1/2 -1.73099251e+01 -1.33439712e+01 -2.29114445e-01 : : 61 61s_1/2 +1.07217980e+09 -1.74345027e-01 +1.00000000e+00 62 62s_1/2 +2.82403709e+09 -1.68763288e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626269e+02 -1.65626275e+02 +3.51600655e-08 2 3p_1/2 -7.32849532e+01 -7.32847802e+01 -2.36117317e-06 3 4p_1/2 -4.10886916e+01 -4.10855060e+01 -7.75295294e-05 4 5p_1/2 -2.62516709e+01 -2.62329647e+01 -7.12568283e-04 5 6p_1/2 -1.83144880e+01 -1.81861550e+01 -7.00718586e-03 6 7p_1/2 -1.45572125e+01 -1.33439712e+01 -8.33429684e-02 7 8p_1/2 -1.22268086e+01 -1.02061694e+01 -1.65263016e-01 : : 61 62p_1/2 +1.31121661e+09 -1.68763288e-01 +1.00000000e+00 62 63p_1/2 +6.75303363e+09 -1.63445372e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704879e+02 -1.62704858e+02 -1.30004330e-07 2 3p_3/2 -7.24182136e+01 -7.24179626e+01 -3.46648311e-06 3 4p_3/2 -4.07283459e+01 -4.07203638e+01 -1.95983472e-04 4 5p_3/2 -2.61758836e+01 -2.60463105e+01 -4.95009559e-03 5 6p_3/2 -2.18542327e+01 -1.80782839e+01 -1.72778831e-01 6 7p_3/2 -1.76630982e+01 -1.32761162e+01 -2.48369905e-01 7 8p_3/2 -1.27429419e+01 -1.01607532e+01 -2.02636782e-01 : : 61 62p_3/2 +1.75348509e+09 -1.68666399e-01 +1.00000000e+00 62 63p_3/2 +6.75813749e+09 -1.63353026e-01 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.3041907e+02; self-cons'cy = 2.2600e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4997690e+02; self-cons'cy = 4.9582e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4793527e+02; self-cons'cy = 5.6420e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4534845e+02; self-cons'cy = 5.6342e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094980e+02; self-cons'cy = 4.2076e-04 [2.7989e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014854e+02; self-cons'cy = 5.7190e-04 [2.7989e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4810042e+02; self-cons'cy = 5.5787e-04 [1.7283e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4546110e+02; self-cons'cy = 3.8736e-04 [2.6853e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094141e+02; self-cons'cy = 6.6475e-06 [4.0109e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014603e+02; self-cons'cy = 8.3642e-06 [4.0109e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809829e+02; self-cons'cy = 7.2019e-06 [2.2011e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545982e+02; self-cons'cy = 4.4225e-06 [3.0533e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094153e+02; self-cons'cy = 9.1538e-08 [5.3473e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014606e+02; self-cons'cy = 1.1093e-07 [5.3473e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809832e+02; self-cons'cy = 8.7015e-08 [2.6570e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545983e+02; self-cons'cy = 5.0803e-08 [3.5069e-07 for sym-block kappa = -2] >>> Sign changed for orbital 2p_3/2 > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -9.711504212090781e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900309e+02 -2.641024081452560e+04 -2.641024081452560e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011058e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021923e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409183e+02 -2.627848043032709e+04 -2.627848043032709e+04 9 3/2 - -9.654536134553871e+02 -2.627133096013840e+04 -2.627133096013840e+04 10 3/2 + -9.653919986814907e+02 -2.626965433674137e+04 -2.626965433674137e+04 11 5/2 + -9.647923902465742e+02 -2.625333816015801e+04 -2.625333816015801e+04 12 1/2 + -9.642045522528894e+02 -2.623734227359463e+04 -2.623734227359463e+04 13 3/2 + -9.640667525534584e+02 -2.623359255277998e+04 -2.623359255277998e+04 14 5/2 + -9.623019411297864e+02 -2.618556958787793e+04 -2.618556958787793e+04 15 3/2 + -9.614491258240491e+02 -2.616236330138975e+04 -2.616236330138975e+04 16 1/2 + -9.606774849128176e+02 -2.614136588268540e+04 -2.614136588268540e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 4.970533204115100e-01 1.352550977424034e+01 1.352550977424034e+01 4 1/2 - 1.725506968513628e+00 4.695343620042431e+01 4.695343620042431e+01 5 5/2 - 2.557640715224352e-01 6.959694880243873e+00 6.959694880243873e+00 6 1/2 + 9.990003273910588e-01 2.718418354274448e+01 2.718418354274448e+01 7 3/2 - 6.065623376754274e-01 1.650540191567964e+01 1.650540191567964e+01 8 1/2 - 7.582178235985566e-01 2.063215788518459e+01 2.063215788518459e+01 9 3/2 - 2.627381855312478e-01 7.149470188685163e+00 7.149470188685163e+00 10 3/2 + 6.161477389639458e-02 1.676623397029812e+00 1.676623397029812e+00 11 5/2 + 5.996084349164903e-01 1.631617658336067e+01 1.631617658336067e+01 12 1/2 + 5.878379936848432e-01 1.599588656338059e+01 1.599588656338059e+01 13 3/2 + 1.377996994309569e-01 3.749720814655743e+00 3.749720814655743e+00 14 5/2 + 1.764811423671972e+00 4.802296490204380e+01 4.802296490204380e+01 15 3/2 + 8.528153057372947e-01 2.320628648818185e+01 2.320628648818185e+01 16 1/2 + 7.716409112315432e-01 2.099741870434607e+01 2.099741870434607e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 1.089018039458665e+00 2.963369025445332e+01 2.963369025445332e+01 4 1/2 - 2.814525007972293e+00 7.658712645487763e+01 7.658712645487763e+01 5 5/2 - 3.070289079494728e+00 8.354682133512151e+01 8.354682133512151e+01 6 1/2 + 4.069289406885787e+00 1.107310048778660e+02 1.107310048778660e+02 7 3/2 - 4.675851744561214e+00 1.272364067935456e+02 1.272364067935456e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691019e+00 1.550180348674154e+02 1.550180348674154e+02 10 3/2 + 5.758422527587413e+00 1.566946582644452e+02 1.566946582644452e+02 11 5/2 + 6.358030962503904e+00 1.730108348478059e+02 1.730108348478059e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619704e+00 1.927564422258422e+02 1.927564422258422e+02 14 5/2 + 8.848480079291676e+00 2.407794071278860e+02 2.407794071278860e+02 15 3/2 + 9.701295385028970e+00 2.639856936160679e+02 2.639856936160679e+02 16 1/2 + 1.047293629626051e+01 2.849831123204139e+02 2.849831123204139e+02 (Re-) Define a new standard subshell list. PhotoEmission.computeLines(): The computation of the transition amplitudes and properties starts now ... -------------------------------------------------------------------------------------------------------- Selected radiative lines: ----------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy List of multipoles [eV] ----------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.35468213e+01 M2(Magnetic) 5 -- 2 5/2 - --> 1/2 - 6.74386409e+01 E2(Coulomb), E2(Babushkin) 5 -- 3 5/2 - --> 3/2 - 5.39131311e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 5 -- 4 5/2 - --> 1/2 - 6.95969488e+00 E2(Coulomb), E2(Babushkin) 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 3 3/2 - --> 3/2 - 9.76027165e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 4 3/2 - --> 1/2 - 5.06492803e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 5 3/2 - --> 5/2 - 4.36895855e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 6 3/2 - --> 1/2 + 1.65054019e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 1 3/2 + --> 1/2 + 1.56694658e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 10 -- 2 3/2 + --> 1/2 - 1.40586478e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 4 3/2 + --> 1/2 - 8.01075318e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 5 3/2 + --> 5/2 - 7.31478369e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 6 3/2 + --> 1/2 + 4.59636534e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 10 -- 7 3/2 + --> 3/2 - 2.94582515e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 8 3/2 + --> 1/2 - 8.82609359e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 9 3/2 + --> 3/2 - 1.67662340e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2(Coulomb), E2(Babushkin) 11 -- 2 5/2 + --> 1/2 - 1.56902654e+02 M2(Magnetic) 11 -- 3 5/2 + --> 3/2 - 1.43377145e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 4 5/2 + --> 1/2 - 9.64237084e+01 M2(Magnetic) 11 -- 5 5/2 + --> 5/2 - 8.94640135e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2(Coulomb), E2(Babushkin) 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 8 5/2 + --> 1/2 - 2.51422702e+01 M2(Magnetic) 11 -- 9 5/2 + --> 3/2 - 1.79928000e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 12 -- 1 1/2 + --> 1/2 + 1.89006721e+02 M1(Magnetic) 12 -- 2 1/2 + --> 1/2 - 1.72898541e+02 E1(Coulomb), E1(Babushkin) 12 -- 3 1/2 + --> 3/2 - 1.59373031e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 4 1/2 + --> 1/2 - 1.12419595e+02 E1(Coulomb), E1(Babushkin) 12 -- 5 1/2 + --> 5/2 - 1.05459900e+02 M2(Magnetic) 12 -- 6 1/2 + --> 1/2 + 7.82757165e+01 M1(Magnetic) 12 -- 7 1/2 + --> 3/2 - 6.17703146e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 8 1/2 + --> 1/2 - 4.11381567e+01 E1(Coulomb), E1(Babushkin) 12 -- 9 1/2 + --> 3/2 - 3.39886865e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 10 1/2 + --> 3/2 + 3.23120631e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 12 -- 11 1/2 + --> 5/2 + 1.59958866e+01 E2(Coulomb), E2(Babushkin) 13 -- 1 3/2 + --> 1/2 + 1.92756442e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 9 3/2 + --> 3/2 - 3.77384074e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 10 3/2 + --> 3/2 + 3.60617840e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 11 3/2 + --> 5/2 + 1.97456074e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 12 3/2 + --> 1/2 + 3.74972081e+00 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 1 5/2 + --> 1/2 + 2.40779407e+02 E2(Coulomb), E2(Babushkin) 14 -- 2 5/2 + --> 1/2 - 2.24671227e+02 M2(Magnetic) 14 -- 3 5/2 + --> 3/2 - 2.11145717e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 4 5/2 + --> 1/2 - 1.64192281e+02 M2(Magnetic) 14 -- 5 5/2 + --> 5/2 - 1.57232586e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2(Coulomb), E2(Babushkin) 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 8 5/2 + --> 1/2 - 9.29108424e+01 M2(Magnetic) 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 10 5/2 + --> 3/2 + 8.40847489e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 14 -- 12 5/2 + --> 1/2 + 5.17726857e+01 E2(Coulomb), E2(Babushkin) 14 -- 13 5/2 + --> 3/2 + 4.80229649e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 1 3/2 + --> 1/2 + 2.63985694e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 2 3/2 + --> 1/2 - 2.47877513e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 3 3/2 + --> 3/2 - 2.34352003e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 4 3/2 + --> 1/2 - 1.87398567e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 5 3/2 + --> 5/2 - 1.80438872e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 6 3/2 + --> 1/2 + 1.53254689e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 7 3/2 + --> 3/2 - 1.36749287e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 8 3/2 + --> 1/2 - 1.16117129e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 9 3/2 + --> 3/2 - 1.08967659e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 15 -- 10 3/2 + --> 3/2 + 1.07291035e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 11 3/2 + --> 5/2 + 9.09748588e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 12 3/2 + --> 1/2 + 7.49789722e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 13 3/2 + --> 3/2 + 7.12292514e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 14 3/2 + --> 5/2 + 2.32062865e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 16 -- 1 1/2 + --> 1/2 + 2.84983112e+02 M1(Magnetic) 16 -- 2 1/2 + --> 1/2 - 2.68874932e+02 E1(Coulomb), E1(Babushkin) 16 -- 3 1/2 + --> 3/2 - 2.55349422e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 16 -- 4 1/2 + --> 1/2 - 2.08395986e+02 E1(Coulomb), E1(Babushkin) 16 -- 5 1/2 + --> 5/2 - 2.01436291e+02 M2(Magnetic) 16 -- 6 1/2 + --> 1/2 + 1.74252107e+02 M1(Magnetic) 16 -- 7 1/2 + --> 3/2 - 1.57746706e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 16 -- 8 1/2 + --> 1/2 - 1.37114548e+02 E1(Coulomb), E1(Babushkin) 16 -- 9 1/2 + --> 3/2 - 1.29965077e+02 E1(Coulomb), E1(Babushkin), M2(Magnetic) 16 -- 10 1/2 + --> 3/2 + 1.28288454e+02 M1(Magnetic), E2(Coulomb), E2(Babushkin) 16 -- 11 1/2 + --> 5/2 + 1.11972277e+02 E2(Coulomb), E2(Babushkin) 16 -- 12 1/2 + --> 1/2 + 9.59763909e+01 M1(Magnetic) 16 -- 13 1/2 + --> 3/2 + 9.22266701e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 16 -- 14 1/2 + --> 5/2 + 4.42037052e+01 E2(Coulomb), E2(Babushkin) 16 -- 15 1/2 + --> 3/2 + 2.09974187e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) ----------------------------------------------------------------------------------------------- Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-2] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-3] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-3] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-3] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-4] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-1] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-2] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-2] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-3] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-3] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-3] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-4] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-4] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-4] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-5] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-5] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-6] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-2] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-4] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-5] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-8] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-9] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-1] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-5] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-5] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-4] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-2] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-4] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-5] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-8] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-1] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-5] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-5] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-13] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-1] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-2] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-4] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-5] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-6] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-8] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-12] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-13] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-14] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-14] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-14] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-3] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-4] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-7] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-9] ... done. Compute radiative M2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-10] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-11] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-13] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-14] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-14] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-15] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-15] ... done. Compute radiative E2 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-15] ... done. Einstein coefficients, transition rates and oscillator strengths: ----------------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipole Gauge A--Einstein--B Osc. strength Decay widths Line strength [eV] [1/s] [1/s] [eV] [a.u.] ----------------------------------------------------------------------------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.354682e+01 M2 Magnetic 1.396333e+01 2.963944e-10 1.383059e-10 9.190830e-15 -- 5 -- 2 5/2 - --> 1/2 - 6.743864e+01 E2 Coulomb 3.628708e+02 1.464524e-08 5.516278e-09 2.388459e-13 -- 5 -- 2 5/2 - --> 1/2 - 6.743864e+01 E2 Babushkin 2.836593e+02 1.144831e-08 4.312122e-09 1.867079e-13 -- 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 M1 Magnetic 4.383125e+06 3.462351e-04 5.212865e-05 2.885025e-09 -- 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 E2 Coulomb 1.473485e+02 1.163946e-08 1.752420e-09 9.698654e-14 -- 5 -- 3 5/2 - --> 3/2 - 5.391313e+01 E2 Babushkin 3.729695e+01 2.946188e-09 4.435738e-10 2.454930e-14 -- 5 -- 4 5/2 - --> 1/2 - 6.959695e+00 E2 Coulomb 8.996786e-06 3.303601e-13 1.284159e-14 5.921792e-21 -- 5 -- 4 5/2 - --> 1/2 - 6.959695e+00 E2 Babushkin 1.145771e-05 4.207247e-13 1.635419e-14 7.541600e-21 -- 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 E1 Coulomb 4.522631e+09 2.717865e-02 1.287623e-02 2.976850e-06 3.280210e-06 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 E1 Babushkin 7.425364e+09 4.462255e-02 2.114051e-02 4.887463e-06 5.385527e-06 7 -- 1 3/2 - --> 1/2 + 1.272364e+02 M2 Magnetic 8.502033e+01 5.109277e-10 2.420586e-10 5.596140e-14 -- 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 M1 Magnetic 5.669135e+06 5.113455e-05 2.115867e-05 3.731492e-09 -- 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 E2 Coulomb 3.979820e+02 3.589725e-09 1.485372e-09 2.619565e-13 -- 7 -- 2 3/2 - --> 1/2 - 1.111282e+02 E2 Babushkin 1.959433e+03 1.767372e-08 7.313109e-09 1.289722e-12 -- 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 M1 Magnetic 5.991525e+06 7.976686e-05 1.449453e-05 3.943693e-09 -- 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Coulomb 8.378379e+02 1.115437e-08 2.026874e-09 5.514749e-13 -- 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Babushkin 2.820807e+03 3.755419e-08 6.824015e-09 1.856689e-12 -- 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 M1 Magnetic 8.154404e+05 7.768609e-05 1.465096e-05 5.367326e-10 -- 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 E2 Coulomb 6.273561e+01 5.976750e-09 1.127166e-09 4.129333e-14 -- 7 -- 4 3/2 - --> 1/2 - 5.064928e+01 E2 Babushkin 1.350392e+01 1.286504e-09 2.426241e-10 8.888444e-15 -- 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 M1 Magnetic 9.661197e+06 1.434062e-03 7.776322e-05 6.359115e-09 -- 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 E2 Coulomb 1.125703e+01 1.670940e-09 9.060809e-11 7.409509e-15 -- 7 -- 5 3/2 - --> 5/2 - 4.368959e+01 E2 Babushkin 1.184417e+01 1.758092e-09 9.533400e-11 7.795971e-15 -- 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 E1 Coulomb 2.194266e+06 6.040624e-03 3.712424e-04 1.444292e-09 7.290471e-07 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 E1 Babushkin 1.946083e+06 5.357396e-03 3.292528e-04 1.280935e-09 6.465879e-07 7 -- 6 3/2 - --> 1/2 + 1.650540e+01 M2 Magnetic 5.141767e-05 1.415484e-13 8.699226e-15 3.384373e-20 -- 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 M1 Magnetic 2.547796e+06 8.197341e-06 4.782740e-06 1.676990e-09 -- 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 E2 Coulomb 5.056866e+01 1.627008e-10 9.492782e-11 3.328490e-14 -- 10 -- 1 3/2 + --> 1/2 + 1.566947e+02 E2 Babushkin 7.016654e+01 2.257555e-10 1.317171e-10 4.618446e-14 -- 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 E1 Coulomb 1.489780e+10 6.636853e-02 3.474204e-02 9.805907e-06 8.010064e-06 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 E1 Babushkin 1.803796e+10 8.035771e-02 4.206498e-02 1.187280e-05 9.698428e-06 10 -- 2 3/2 + --> 1/2 - 1.405865e+02 M2 Magnetic 8.521193e+01 3.796126e-10 1.987164e-10 5.608751e-14 -- 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 E1 Coulomb 2.799949e+09 1.689602e-02 3.996835e-03 1.842960e-06 4.078385e-06 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 E1 Babushkin 3.653828e+09 2.204867e-02 5.215719e-03 2.404993e-06 5.322139e-06 10 -- 3 3/2 + --> 3/2 - 1.270610e+02 M2 Magnetic 5.166007e+01 3.117377e-10 7.374305e-11 3.400328e-14 -- 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 E1 Coulomb 2.349307e+07 5.657058e-04 1.687383e-04 1.546342e-08 6.827543e-08 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 E1 Babushkin 8.512133e+06 2.049695e-04 6.113813e-05 5.602788e-09 2.473791e-08 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 M2 Magnetic 6.819402e+00 1.642090e-10 4.898014e-11 4.488612e-15 -- 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 E1 Coulomb 1.629747e+09 5.154501e-02 4.679684e-03 1.072719e-06 1.866301e-05 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 E1 Babushkin 2.520440e+09 7.971548e-02 7.237232e-03 1.658984e-06 2.886275e-05 10 -- 5 3/2 + --> 5/2 - 7.314784e+01 M2 Magnetic 7.514604e-02 2.376690e-12 2.157756e-13 4.946202e-17 -- 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 M1 Magnetic 1.292306e+06 1.647375e-04 2.819400e-05 8.506112e-10 -- 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 E2 Coulomb 7.098474e+00 9.048826e-10 1.548661e-10 4.672300e-15 -- 10 -- 6 3/2 + --> 1/2 + 4.596365e+01 E2 Babushkin 1.529933e+00 1.950292e-10 3.337827e-11 1.007020e-15 -- 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 E1 Coulomb 5.999263e+05 2.905012e-04 1.593215e-05 3.948787e-10 7.012157e-08 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 E1 Babushkin 9.598657e+05 4.647939e-04 2.549101e-05 6.317951e-10 1.121926e-07 10 -- 7 3/2 + --> 3/2 - 2.945825e+01 M2 Magnetic 3.591146e-05 1.738934e-14 9.536952e-16 2.363735e-20 -- 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 E1 Coulomb 3.081598e+06 5.548062e-02 1.823305e-03 2.028345e-09 6.695994e-06 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 E1 Babushkin 2.228865e+04 4.012814e-04 1.318764e-05 1.467066e-11 4.843093e-08 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 M2 Magnetic 2.000981e-05 3.602535e-13 1.183931e-14 1.317069e-20 -- 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Coulomb 3.017916e+04 7.926318e-02 2.474153e-04 1.986429e-11 1.913266e-05 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Babushkin 2.161991e+03 5.678298e-03 1.772447e-05 1.423048e-12 1.370635e-06 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 M2 Magnetic 6.042108e-10 1.586912e-15 4.953451e-18 3.976988e-25 -- 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Coulomb 8.347936e+02 1.995400e-09 1.928165e-09 5.494711e-13 -- 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Babushkin 1.316221e+03 3.146152e-09 3.040142e-09 8.663522e-13 -- 11 -- 2 5/2 + --> 1/2 - 1.569027e+02 M2 Magnetic 7.716194e+01 2.472767e-10 2.166977e-10 5.078891e-14 -- 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 E1 Coulomb 1.541621e+10 6.474538e-02 2.592385e-02 1.014714e-05 1.562833e-05 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 E1 Babushkin 1.581076e+10 6.640241e-02 2.658732e-02 1.040683e-05 1.602831e-05 11 -- 3 5/2 + --> 3/2 - 1.433771e+02 M2 Magnetic 1.189552e+02 4.995908e-10 2.000346e-10 7.829772e-14 -- 11 -- 4 5/2 + --> 1/2 - 9.642371e+01 M2 Magnetic 1.590376e+01 2.195934e-10 1.182617e-10 1.046805e-14 -- 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 E1 Coulomb 3.175475e+09 5.489520e-02 9.143287e-03 2.090135e-06 1.987602e-05 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 E1 Babushkin 4.459015e+09 7.708408e-02 1.283904e-02 2.934977e-06 2.790999e-05 11 -- 5 5/2 + --> 5/2 - 8.946401e+01 M2 Magnetic 2.323835e+00 4.017270e-11 6.691122e-12 1.529576e-15 -- 11 -- 6 5/2 + --> 1/2 + 6.227983e+01 E2 Coulomb 2.717411e+02 1.392464e-08 4.843644e-09 1.788633e-13 -- 11 -- 6 5/2 + --> 1/2 + 6.227983e+01 E2 Babushkin 2.887140e+02 1.479437e-08 5.146176e-09 1.900350e-13 -- 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 E1 Coulomb 1.751060e+08 2.259972e-02 2.888928e-03 1.152568e-07 5.455151e-06 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 E1 Babushkin 4.429632e+07 5.717020e-03 7.308083e-04 2.915637e-08 1.379982e-06 11 -- 7 5/2 + --> 3/2 - 4.577443e+01 M2 Magnetic 2.388932e-02 3.083229e-12 3.941301e-13 1.572424e-17 -- 11 -- 8 5/2 + --> 1/2 - 2.514227e+01 M2 Magnetic 9.616551e-04 7.489912e-13 1.051773e-13 6.329729e-19 -- 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 E1 Coulomb 1.663540e+08 3.535150e-01 1.776305e-02 1.094962e-07 8.533195e-05 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 E1 Babushkin 1.874348e+07 3.983133e-02 2.001402e-03 1.233718e-08 9.614542e-06 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 M2 Magnetic 1.148787e-03 2.441260e-12 1.226658e-13 7.561453e-19 -- 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 M1 Magnetic 1.117001e+04 3.183239e-05 1.450436e-06 7.352234e-12 -- 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 E2 Coulomb 7.081579e-01 2.018114e-09 9.195493e-11 4.661180e-16 -- 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 E2 Babushkin 2.276329e-02 6.487101e-11 2.955833e-12 1.498307e-17 -- 12 -- 1 1/2 + --> 1/2 + 1.890067e+02 M1 Magnetic 2.024336e+06 3.711264e-06 1.305926e-06 1.332442e-09 -- 12 -- 2 1/2 + --> 1/2 - 1.728985e+02 E1 Coulomb 4.030170e+09 9.652065e-03 3.106928e-03 2.652706e-06 1.164914e-06 12 -- 2 1/2 + --> 1/2 - 1.728985e+02 E1 Babushkin 3.528017e+09 8.449434e-03 2.719810e-03 2.322183e-06 1.019768e-06 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 E1 Coulomb 2.282069e+09 6.978388e-03 1.035284e-03 1.502085e-06 1.684453e-06 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 E1 Babushkin 8.751938e+08 2.676274e-03 3.970407e-04 5.760630e-07 6.460027e-07 12 -- 3 1/2 + --> 3/2 - 1.593730e+02 M2 Magnetic 4.858582e+02 1.485716e-09 2.204146e-10 3.197977e-13 -- 12 -- 4 1/2 + --> 1/2 - 1.124196e+02 E1 Coulomb 1.007291e+10 8.776066e-02 1.836798e-02 6.630112e-06 1.059190e-05 12 -- 4 1/2 + --> 1/2 - 1.124196e+02 E1 Babushkin 1.211990e+10 1.055951e-01 2.210067e-02 7.977461e-06 1.274435e-05 12 -- 5 1/2 + --> 5/2 - 1.054599e+02 M2 Magnetic 1.243255e+00 1.312106e-11 8.587262e-13 8.183254e-16 -- 12 -- 6 1/2 + --> 1/2 + 7.827572e+01 M1 Magnetic 1.936742e+06 4.998750e-05 7.284640e-06 1.274787e-09 -- 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 E1 Coulomb 1.009457e+09 5.301749e-02 3.048517e-03 6.644366e-07 1.279744e-05 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 E1 Babushkin 1.274958e+09 6.696185e-02 3.850320e-03 8.391929e-07 1.616334e-05 12 -- 7 1/2 + --> 3/2 - 6.177031e+01 M2 Magnetic 1.743784e-01 9.158494e-12 5.266153e-13 1.147779e-16 -- 12 -- 8 1/2 + --> 1/2 - 4.113816e+01 E1 Coulomb 4.594965e+06 8.169934e-04 6.257242e-05 3.024461e-09 9.860350e-08 12 -- 8 1/2 + --> 1/2 - 4.113816e+01 E1 Babushkin 2.678454e+07 4.762342e-03 3.647413e-04 1.762990e-08 5.747703e-07 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 E1 Coulomb 4.593727e+05 1.448214e-04 4.582019e-06 3.023646e-10 3.495720e-08 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 E1 Babushkin 1.673739e+07 5.276615e-03 1.669473e-04 1.101675e-08 1.273677e-06 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 M2 Magnetic 1.221706e-02 3.851539e-12 1.218592e-13 8.041413e-18 -- 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 M1 Magnetic 3.165582e+06 1.161530e-03 3.493692e-05 2.083624e-09 -- 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 E2 Coulomb 3.026348e+00 1.110441e-09 3.340027e-11 1.991979e-15 -- 12 -- 10 1/2 + --> 3/2 + 3.231206e+01 E2 Babushkin 1.823325e+00 6.690228e-10 2.012312e-11 1.200135e-15 -- 12 -- 11 1/2 + --> 5/2 + 1.599589e+01 E2 Coulomb 7.986076e-01 2.415346e-09 2.397651e-11 5.256530e-16 -- 12 -- 11 1/2 + --> 5/2 + 1.599589e+01 E2 Babushkin 2.758443e-02 8.342765e-11 8.281646e-13 1.815640e-17 -- 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 M1 Magnetic 5.937934e+05 1.026312e-06 7.366106e-07 3.908419e-10 -- 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 E2 Coulomb 1.130386e+03 1.953758e-09 1.402262e-09 7.440333e-13 -- 13 -- 1 3/2 + --> 1/2 + 1.927564e+02 E2 Babushkin 1.382147e+03 2.388903e-09 1.714577e-09 9.097460e-13 -- 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 E1 Coulomb 3.625565e+08 8.141763e-04 5.355221e-04 2.386390e-07 9.826350e-08 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 E1 Babushkin 2.016630e+08 4.528652e-04 2.978708e-04 1.327370e-07 5.465661e-08 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 M2 Magnetic 4.540187e+02 1.019569e-09 6.706184e-10 2.988405e-13 -- 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 E1 Coulomb 3.796601e+09 1.082735e-02 3.288185e-03 2.498968e-06 2.613521e-06 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 E1 Babushkin 3.664687e+09 1.045115e-02 3.173936e-03 2.412141e-06 2.522713e-06 13 -- 3 3/2 + --> 3/2 - 1.631228e+02 M2 Magnetic 3.150494e+02 8.984746e-10 2.728601e-10 2.073693e-13 -- 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 E1 Coulomb 8.143739e+09 6.430139e-02 2.781387e-02 5.360306e-06 7.760580e-06 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 E1 Babushkin 5.714720e+09 4.512233e-02 1.951788e-02 3.761497e-06 5.445846e-06 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 M2 Magnetic 2.667784e-03 2.106431e-14 9.111466e-15 1.755967e-18 -- 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 E1 Coulomb 1.567908e+07 1.490077e-04 2.019751e-05 1.032016e-08 5.395152e-08 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 E1 Babushkin 2.101268e+07 1.996961e-04 2.706816e-05 1.383079e-08 7.230437e-08 13 -- 5 3/2 + --> 5/2 - 1.092096e+02 M2 Magnetic 2.178681e-01 2.070531e-12 2.806538e-13 1.434034e-16 -- 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 M1 Magnetic 2.642094e+06 5.926161e-05 1.809971e-05 1.739058e-09 -- 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 E2 Coulomb 5.882833e+02 1.319507e-08 4.030045e-09 3.872151e-13 -- 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 E2 Babushkin 1.903072e+03 4.268550e-08 1.303702e-08 1.252625e-12 -- 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 E1 Coulomb 1.348983e+09 5.936836e-02 7.241837e-03 8.879169e-07 1.433042e-05 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 E1 Babushkin 1.359529e+09 5.983247e-02 7.298450e-03 8.948581e-07 1.444244e-05 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 M2 Magnetic 1.047521e-01 4.610109e-12 5.623476e-13 6.894908e-17 -- 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 E1 Coulomb 1.485708e+09 2.033373e-01 3.398567e-02 9.779109e-07 2.454093e-05 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 E1 Babushkin 5.312996e+08 7.271485e-02 1.215351e-02 3.497077e-07 8.776006e-06 13 -- 8 3/2 + --> 1/2 - 4.488788e+01 M2 Magnetic 4.837768e-03 6.621077e-13 1.106642e-13 3.184277e-18 -- 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 E1 Coulomb 2.804735e+07 6.459695e-03 4.538530e-04 1.846110e-08 1.559250e-06 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 E1 Babushkin 2.849572e+05 6.562960e-05 4.611083e-06 1.875622e-10 1.584176e-08 13 -- 9 3/2 + --> 3/2 - 3.773841e+01 M2 Magnetic 6.778218e-03 1.561118e-12 1.096829e-13 4.461504e-18 -- 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 M1 Magnetic 5.412366e+05 1.428619e-04 9.591427e-06 3.562484e-10 -- 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 E2 Coulomb 2.575396e+00 6.797876e-10 4.563941e-11 1.695156e-15 -- 13 -- 10 3/2 + --> 3/2 + 3.606178e+01 E2 Babushkin 2.032202e+00 5.364090e-10 3.601329e-11 1.337619e-15 -- 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 M1 Magnetic 6.523910e+05 1.048980e-03 2.570787e-05 4.294115e-10 -- 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 E2 Coulomb 4.733701e-02 7.611323e-11 1.865344e-12 3.115778e-17 -- 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 E2 Babushkin 2.637271e-01 4.240471e-10 1.039233e-11 1.735883e-16 -- 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 M1 Magnetic 1.852300e+03 4.348959e-04 6.072028e-06 1.219206e-12 -- 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Coulomb 5.588019e-03 1.311994e-09 1.831810e-11 3.678101e-18 -- 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Babushkin 3.802120e-05 8.926884e-12 1.246374e-13 2.502601e-20 -- 14 -- 1 5/2 + --> 1/2 + 2.407794e+02 E2 Coulomb 1.365569e+02 1.210951e-10 1.628496e-10 8.988338e-14 -- 14 -- 1 5/2 + --> 1/2 + 2.407794e+02 E2 Babushkin 2.723603e+03 2.415220e-09 3.248006e-09 1.792708e-12 -- 14 -- 2 5/2 + --> 1/2 - 2.246712e+02 M2 Magnetic 5.197485e+00 5.673116e-12 7.118852e-12 3.421046e-15 -- 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 E1 Coulomb 2.842649e+08 3.738069e-04 2.204147e-04 1.871066e-07 9.023003e-08 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 E1 Babushkin 1.189338e+09 1.563973e-03 9.221944e-04 7.828365e-07 3.775140e-07 14 -- 3 5/2 + --> 3/2 - 2.111457e+02 M2 Magnetic 1.614804e+02 2.123459e-10 1.252094e-10 1.062884e-13 -- 14 -- 4 5/2 + --> 1/2 - 1.641923e+02 M2 Magnetic 3.108730e+01 8.693521e-11 7.972404e-11 2.046203e-14 -- 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 E1 Coulomb 1.463187e+10 4.659540e-02 1.363971e-02 9.630872e-06 1.687089e-05 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 E1 Babushkin 1.753843e+10 5.585139e-02 1.634919e-02 1.154401e-05 2.022223e-05 14 -- 5 5/2 + --> 5/2 - 1.572326e+02 M2 Magnetic 5.583688e+02 1.778133e-09 5.205068e-10 3.675250e-13 -- 14 -- 6 5/2 + --> 1/2 + 1.300484e+02 E2 Coulomb 3.848494e+01 2.165941e-10 1.573231e-10 2.533125e-14 -- 14 -- 6 5/2 + --> 1/2 + 1.300484e+02 E2 Babushkin 1.608991e+03 9.055437e-09 6.577416e-09 1.059057e-12 -- 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 E1 Coulomb 6.999980e+09 5.919521e-02 1.876972e-02 4.607471e-06 1.428862e-05 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 E1 Babushkin 5.848402e+09 4.945690e-02 1.568188e-02 3.849488e-06 1.193798e-05 14 -- 7 5/2 + --> 3/2 - 1.135430e+02 M2 Magnetic 5.253383e+00 4.442514e-11 1.408640e-11 3.457840e-15 -- 14 -- 8 5/2 + --> 1/2 - 9.291084e+01 M2 Magnetic 4.259523e+00 6.574045e-11 3.411457e-11 2.803669e-15 -- 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 E1 Coulomb 7.671623e+09 1.505508e-01 3.605666e-02 5.049554e-06 3.634015e-05 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 E1 Babushkin 4.330947e+09 8.499210e-02 2.035547e-02 2.850681e-06 2.051551e-05 14 -- 9 5/2 + --> 3/2 - 8.576137e+01 M2 Magnetic 1.567847e+01 3.076800e-10 7.368886e-11 1.031975e-14 -- 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 M1 Magnetic 6.837642e+06 1.423723e-04 3.343133e-05 4.500618e-09 -- 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 E2 Coulomb 7.729925e+02 1.609513e-08 3.779397e-09 5.087929e-13 -- 14 -- 10 5/2 + --> 3/2 + 8.408475e+01 E2 Babushkin 1.445260e+03 3.009298e-08 7.066319e-09 9.512875e-13 -- 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 M1 Magnetic 3.115740e+05 1.239216e-05 1.563490e-06 2.050817e-10 -- 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 E2 Coulomb 6.006970e+02 2.389138e-08 3.014319e-09 3.953860e-13 -- 14 -- 11 5/2 + --> 5/2 + 6.776857e+01 E2 Babushkin 4.774076e+02 1.898782e-08 2.395649e-09 3.142354e-13 -- 14 -- 12 5/2 + --> 1/2 + 5.177269e+01 E2 Coulomb 5.253757e+01 4.686393e-09 1.355128e-09 3.458086e-14 -- 14 -- 12 5/2 + --> 1/2 + 5.177269e+01 E2 Babushkin 2.892216e+01 2.579880e-09 7.460039e-10 1.903691e-14 -- 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 M1 Magnetic 1.435666e+06 1.604639e-04 2.151975e-05 9.449727e-10 -- 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 E2 Coulomb 2.604938e+01 2.911530e-09 3.904641e-10 1.714601e-14 -- 14 -- 13 5/2 + --> 3/2 + 4.802296e+01 E2 Babushkin 3.340561e+00 3.733734e-10 5.007295e-11 2.198797e-15 -- 15 -- 1 3/2 + --> 1/2 + 2.639857e+02 M1 Magnetic 1.829864e+05 1.231257e-07 1.210260e-07 1.204439e-10 -- 15 -- 1 3/2 + --> 1/2 + 2.639857e+02 E2 Coulomb 7.397095e-01 4.977266e-13 4.892388e-13 4.868856e-16 -- 15 -- 1 3/2 + --> 1/2 + 2.639857e+02 E2 Babushkin 7.223553e+03 4.860495e-09 4.777608e-09 4.754629e-12 -- 15 -- 2 3/2 + --> 1/2 - 2.478775e+02 E1 Coulomb 5.777020e+07 4.695300e-05 4.333613e-05 3.802504e-08 5.666790e-09 15 -- 2 3/2 + --> 1/2 - 2.478775e+02 E1 Babushkin 1.763913e+08 1.433628e-04 1.323193e-04 1.161028e-07 1.730256e-08 15 -- 2 3/2 + --> 1/2 - 2.478775e+02 M2 Magnetic 5.300773e+01 4.308228e-11 3.976357e-11 3.489032e-14 -- 15 -- 3 3/2 + --> 3/2 - 2.343520e+02 E1 Coulomb 3.283366e+07 3.157796e-05 1.377756e-05 2.161150e-08 7.622332e-09 15 -- 3 3/2 + --> 3/2 - 2.343520e+02 E1 Babushkin 1.099684e+08 1.057627e-04 4.614461e-05 7.238251e-08 2.552916e-08 15 -- 3 3/2 + --> 3/2 - 2.343520e+02 M2 Magnetic 1.872161e+02 1.800562e-10 7.855907e-11 1.232279e-13 -- 15 -- 4 3/2 + --> 1/2 - 1.873986e+02 E1 Coulomb 9.767775e+08 1.837248e-03 1.281987e-03 6.429266e-07 2.217387e-07 15 -- 4 3/2 + --> 1/2 - 1.873986e+02 E1 Babushkin 2.019503e+09 3.798538e-03 2.650528e-03 1.329261e-06 4.584482e-07 15 -- 4 3/2 + --> 1/2 - 1.873986e+02 M2 Magnetic 3.597373e+01 6.766397e-11 4.721428e-11 2.367834e-14 -- 15 -- 5 3/2 + --> 5/2 - 1.804389e+02 E1 Coulomb 1.589015e+09 3.348178e-03 7.498373e-04 1.045909e-06 1.212282e-06 15 -- 5 3/2 + --> 5/2 - 1.804389e+02 E1 Babushkin 1.856956e+09 3.912751e-03 8.762755e-04 1.222271e-06 1.416698e-06 15 -- 5 3/2 + --> 5/2 - 1.804389e+02 M2 Magnetic 4.362991e+02 9.193161e-10 2.058843e-10 2.871773e-13 -- 15 -- 6 3/2 + --> 1/2 + 1.532547e+02 M1 Magnetic 4.485761e+04 1.542644e-07 8.802966e-08 2.952582e-11 -- 15 -- 6 3/2 + --> 1/2 + 1.532547e+02 E2 Coulomb 1.036525e+02 3.564586e-10 2.034101e-10 6.822529e-14 -- 15 -- 6 3/2 + --> 1/2 + 1.532547e+02 E2 Babushkin 2.554105e+03 8.783513e-09 5.012237e-09 1.681142e-12 -- 15 -- 7 3/2 + --> 3/2 - 1.367493e+02 E1 Coulomb 8.248147e+09 3.992565e-02 1.016475e-02 5.429029e-06 9.637310e-06 15 -- 7 3/2 + --> 3/2 - 1.367493e+02 E1 Babushkin 1.013352e+10 4.905190e-02 1.248822e-02 6.670003e-06 1.184022e-05 15 -- 7 3/2 + --> 3/2 - 1.367493e+02 M2 Magnetic 3.234158e+02 1.565514e-09 3.985672e-10 2.128762e-13 -- 15 -- 8 3/2 + --> 1/2 - 1.161171e+02 E1 Coulomb 1.094942e+10 8.657115e-02 3.742993e-02 7.207041e-06 1.044833e-05 15 -- 8 3/2 + --> 1/2 - 1.161171e+02 E1 Babushkin 8.533082e+09 6.746646e-02 2.916982e-02 5.616576e-06 8.142573e-06 15 -- 8 3/2 + --> 1/2 - 1.161171e+02 M2 Magnetic 3.069361e+01 2.426777e-10 1.049242e-10 2.020290e-14 -- 15 -- 9 3/2 + --> 3/2 - 1.089677e+02 E1 Coulomb 8.827993e+09 8.445784e-02 1.713394e-02 5.810690e-06 2.038655e-05 15 -- 9 3/2 + --> 3/2 - 1.089677e+02 E1 Babushkin 7.058421e+09 6.752826e-02 1.369944e-02 4.645937e-06 1.630006e-05 15 -- 9 3/2 + --> 3/2 - 1.089677e+02 M2 Magnetic 9.015148e-02 8.624836e-13 1.749718e-13 5.933878e-17 -- 15 -- 10 3/2 + --> 3/2 + 1.072910e+02 M1 Magnetic 6.435967e+03 6.450514e-08 1.288479e-08 4.236230e-12 -- 15 -- 10 3/2 + --> 3/2 + 1.072910e+02 E2 Coulomb 1.446245e+02 1.449514e-09 2.895379e-10 9.519357e-14 -- 15 -- 10 3/2 + --> 3/2 + 1.072910e+02 E2 Babushkin 6.309083e+02 6.323343e-09 1.263077e-09 4.152714e-13 -- 15 -- 11 3/2 + --> 5/2 + 9.097486e+01 M1 Magnetic 6.490844e+06 1.067107e-04 1.204918e-05 4.272351e-09 -- 15 -- 11 3/2 + --> 5/2 + 9.097486e+01 E2 Coulomb 6.103155e+02 1.003370e-08 1.132950e-09 4.017170e-13 -- 15 -- 11 3/2 + --> 5/2 + 9.097486e+01 E2 Babushkin 1.525318e+03 2.507651e-08 2.831501e-09 1.003983e-12 -- 15 -- 12 3/2 + --> 1/2 + 7.497897e+01 M1 Magnetic 2.141352e+05 6.288403e-06 1.755616e-06 1.409463e-10 -- 15 -- 12 3/2 + --> 1/2 + 7.497897e+01 E2 Coulomb 2.712659e+02 7.966134e-09 2.224010e-09 1.785505e-13 -- 15 -- 12 3/2 + --> 1/2 + 7.497897e+01 E2 Babushkin 2.460178e+02 7.224686e-09 2.017010e-09 1.619319e-13 -- 15 -- 13 3/2 + --> 3/2 + 7.122925e+01 M1 Magnetic 2.329698e+06 7.979860e-05 1.058213e-05 1.533435e-09 -- 15 -- 13 3/2 + --> 3/2 + 7.122925e+01 E2 Coulomb 9.566766e+02 3.276883e-08 4.345491e-09 6.296960e-13 -- 15 -- 13 3/2 + --> 3/2 + 7.122925e+01 E2 Babushkin 9.548907e+02 3.270765e-08 4.337379e-09 6.285205e-13 -- 15 -- 14 3/2 + --> 5/2 + 2.320629e+01 M1 Magnetic 1.107221e+06 1.096701e-03 3.158800e-05 7.287860e-10 -- 15 -- 14 3/2 + --> 5/2 + 2.320629e+01 E2 Coulomb 1.816208e+00 1.798951e-09 5.181475e-11 1.195450e-15 -- 15 -- 14 3/2 + --> 5/2 + 2.320629e+01 E2 Babushkin 3.070306e-02 3.041134e-11 8.759304e-13 2.020912e-17 -- 16 -- 1 1/2 + --> 1/2 + 2.849831e+02 M1 Magnetic 1.739908e+04 9.305499e-09 4.937174e-09 1.145228e-11 -- 16 -- 2 1/2 + --> 1/2 - 2.688749e+02 E1 Coulomb 4.394789e+08 2.798710e-04 1.400967e-04 2.892703e-07 3.377783e-08 16 -- 2 1/2 + --> 1/2 - 2.688749e+02 E1 Babushkin 5.715422e+08 3.639722e-04 1.821957e-04 3.761959e-07 4.392806e-08 16 -- 3 1/2 + --> 3/2 - 2.553494e+02 E1 Coulomb 4.303988e+09 3.199906e-03 7.606094e-04 2.832936e-06 7.723978e-07 16 -- 3 1/2 + --> 3/2 - 2.553494e+02 E1 Babushkin 2.427876e+09 1.805065e-03 4.290592e-04 1.598057e-06 4.357090e-07 16 -- 3 1/2 + --> 3/2 - 2.553494e+02 M2 Magnetic 6.349646e+01 4.720802e-11 1.122122e-11 4.179413e-14 -- 16 -- 4 1/2 + --> 1/2 - 2.083960e+02 E1 Coulomb 1.539405e+09 2.105502e-03 8.168918e-04 1.013254e-06 2.541144e-07 16 -- 4 1/2 + --> 1/2 - 2.083960e+02 E1 Babushkin 8.033642e+07 1.098791e-04 4.263087e-05 5.287839e-08 1.326139e-08 16 -- 5 1/2 + --> 5/2 - 2.014363e+02 M2 Magnetic 3.173352e+03 4.805914e-09 6.007753e-10 2.088738e-12 -- 16 -- 6 1/2 + --> 1/2 + 1.742521e+02 M1 Magnetic 3.067390e+06 7.176386e-06 2.328109e-06 2.018993e-09 -- 16 -- 7 1/2 + --> 3/2 - 1.577467e+02 E1 Coulomb 5.719088e+09 1.803503e-02 2.648297e-03 3.764372e-06 4.353319e-06 16 -- 7 1/2 + --> 3/2 - 1.577467e+02 E1 Babushkin 4.376876e+09 1.380239e-02 2.026768e-03 2.880912e-06 3.331640e-06 16 -- 7 1/2 + --> 3/2 - 1.577467e+02 M2 Magnetic 4.949911e+02 1.560944e-09 2.292119e-10 3.258091e-13 -- 16 -- 8 1/2 + --> 1/2 - 1.371145e+02 E1 Coulomb 1.593632e+10 7.652585e-02 1.953491e-02 1.048947e-05 9.235958e-06 16 -- 8 1/2 + --> 1/2 - 1.371145e+02 E1 Babushkin 9.000310e+09 4.321930e-02 1.103268e-02 5.924112e-06 5.216167e-06 16 -- 9 1/2 + --> 3/2 - 1.299651e+02 E1 Coulomb 2.408894e+10 1.358340e-01 1.643330e-02 1.585563e-05 3.278781e-05 16 -- 9 1/2 + --> 3/2 - 1.299651e+02 E1 Babushkin 1.178508e+10 6.645433e-02 8.039695e-03 7.757079e-06 1.604084e-05 16 -- 9 1/2 + --> 3/2 - 1.299651e+02 M2 Magnetic 4.833386e+01 2.725476e-10 3.297301e-11 3.181392e-14 -- 16 -- 10 1/2 + --> 3/2 + 1.282885e+02 M1 Magnetic 8.040627e+06 4.714092e-05 5.629570e-06 5.292437e-09 -- 16 -- 10 1/2 + --> 3/2 + 1.282885e+02 E2 Coulomb 3.985699e+02 2.336752e-09 2.790550e-10 2.623435e-13 -- 16 -- 10 1/2 + --> 3/2 + 1.282885e+02 E2 Babushkin 1.421492e+03 8.333982e-09 9.952443e-10 9.356430e-13 -- 16 -- 11 1/2 + --> 5/2 + 1.119723e+02 E2 Coulomb 5.158967e+03 4.548854e-08 3.160901e-09 3.395693e-12 -- 16 -- 11 1/2 + --> 5/2 + 1.119723e+02 E2 Babushkin 1.006521e+04 8.874870e-08 6.166956e-09 6.625039e-12 -- 16 -- 12 1/2 + --> 1/2 + 9.597639e+01 M1 Magnetic 1.136904e+07 1.591848e-04 2.844367e-05 7.483241e-09 -- 16 -- 13 1/2 + --> 3/2 + 9.222667e+01 M1 Magnetic 1.831495e+02 2.890062e-09 2.481151e-10 1.205512e-13 -- 16 -- 13 1/2 + --> 3/2 + 9.222667e+01 E2 Coulomb 1.866442e+03 2.945207e-08 2.528494e-09 1.228515e-12 -- 16 -- 13 1/2 + --> 3/2 + 9.222667e+01 E2 Babushkin 1.120169e+03 1.767603e-08 1.517508e-09 7.373086e-13 -- 16 -- 14 1/2 + --> 5/2 + 4.420371e+01 E2 Coulomb 1.466795e+01 2.102153e-09 5.766620e-11 9.654622e-15 -- 16 -- 14 1/2 + --> 5/2 + 4.420371e+01 E2 Babushkin 1.129501e+02 1.618757e-08 4.440569e-10 7.434514e-14 -- 16 -- 15 1/2 + --> 3/2 + 2.099742e+01 M1 Magnetic 6.300866e+00 8.425068e-09 1.646755e-10 4.147306e-15 -- 16 -- 15 1/2 + --> 3/2 + 2.099742e+01 E2 Coulomb 2.003146e-02 2.678463e-11 5.235296e-13 1.318495e-17 -- 16 -- 15 1/2 + --> 3/2 + 2.099742e+01 E2 Babushkin 3.320228e+00 4.439572e-09 8.677539e-11 2.185414e-15 -- ----------------------------------------------------------------------------------------------------------------------------------------------------------------- Anisotropy (structure) functions: --------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles f_2 (Coulomb) f_2 (Babushkin) f_4 (Coulomb) f_4 (Babushkin) [eV] --------------------------------------------------------------------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.35468213e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 5 -- 2 5/2 - --> 1/2 - 6.74386409e+01 E2 -6.19282417e-02 7.00432519e-02 -7.15085740e-02 8.08789807e-02 5 -- 3 5/2 - --> 3/2 - 5.39131311e+01 M1, E2 3.73615707e-01 3.72341180e-01 -3.15610137e-03 1.58790910e-03 5 -- 4 5/2 - --> 1/2 - 6.95969488e+00 E2 -1.13773613e+00 -1.00817603e+00 -1.31374453e+00 -1.16414141e+00 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1, M2 -1.40771827e-01 1.09842484e-01 0.00000000e+00 0.00000000e+00 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1, E2 4.90171177e-01 5.00340301e-01 0.00000000e+00 0.00000000e+00 7 -- 3 3/2 - --> 3/2 - 9.76027165e+01 M1, E2 -3.94846578e-01 -3.94715960e-01 0.00000000e+00 0.00000000e+00 7 -- 4 3/2 - --> 1/2 - 5.06492803e+01 M1, E2 5.00302973e-01 4.95390276e-01 0.00000000e+00 0.00000000e+00 7 -- 5 3/2 - --> 5/2 - 4.36895855e+01 M1, E2 1.00294901e-01 9.96899956e-02 0.00000000e+00 0.00000000e+00 7 -- 6 3/2 - --> 1/2 + 1.65054019e+01 E1, M2 2.91216019e-02 -3.09225942e-02 0.00000000e+00 0.00000000e+00 10 -- 1 3/2 + --> 1/2 + 1.56694658e+02 M1, E2 5.02228976e-01 4.98463424e-01 0.00000000e+00 0.00000000e+00 10 -- 2 3/2 + --> 1/2 - 1.40586478e+02 E1, M2 -5.01255575e-02 4.55590969e-02 0.00000000e+00 0.00000000e+00 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1, M2 5.68696267e-02 -4.97830397e-02 0.00000000e+00 0.00000000e+00 10 -- 4 3/2 + --> 1/2 - 8.01075318e+01 E1, M2 1.99297235e-01 -3.31462240e-01 0.00000000e+00 0.00000000e+00 10 -- 5 3/2 + --> 5/2 - 7.31478369e+01 E1, M2 -2.43588086e-02 1.95867919e-02 0.00000000e+00 0.00000000e+00 10 -- 6 3/2 + --> 1/2 + 4.59636534e+01 M1, E2 5.00092985e-01 4.98768185e-01 0.00000000e+00 0.00000000e+00 10 -- 7 3/2 + --> 3/2 - 2.94582515e+01 E1, M2 1.05964093e-01 -8.37726876e-02 0.00000000e+00 0.00000000e+00 10 -- 8 3/2 + --> 1/2 - 8.82609359e+00 E1, M2 4.57477742e-01 -5.37931545e+00 0.00000000e+00 0.00000000e+00 10 -- 9 3/2 + --> 3/2 - 1.67662340e+00 E1, M2 -2.92938424e-01 1.09446782e+00 0.00000000e+00 0.00000000e+00 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2 1.36660252e-01 -1.08834708e-01 1.57801666e-01 -1.25671496e-01 11 -- 2 5/2 + --> 1/2 - 1.56902654e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 3 5/2 + --> 3/2 - 1.43377145e+02 E1, M2 -4.71516048e-03 4.65627827e-03 -6.04857760e-07 -5.89763953e-07 11 -- 4 5/2 + --> 1/2 - 9.64237084e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 5 5/2 + --> 5/2 - 8.94640135e+01 E1, M2 7.90899164e-02 -6.67441890e-02 1.53777556e-06 1.09512239e-06 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2 1.64402140e-02 -1.59496533e-02 1.89835239e-02 -1.84170732e-02 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1, M2 1.85980161e-01 -3.69776454e-01 3.17218818e-06 1.25398467e-05 11 -- 8 5/2 + --> 1/2 - 2.51422702e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 9 5/2 + --> 3/2 - 1.79928000e+01 E1, M2 2.48571713e-01 -7.40534062e-01 9.53880892e-07 8.46597981e-06 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1, E2 3.70769629e-01 3.69837794e-01 -4.29750985e-03 -7.70541376e-04 12 -- 1 1/2 + --> 1/2 + 1.89006721e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 2 1/2 + --> 1/2 - 1.72898541e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 3 1/2 + --> 3/2 - 1.59373031e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 4 1/2 + --> 1/2 - 1.12419595e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 5 1/2 + --> 5/2 - 1.05459900e+02 M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 6 1/2 + --> 1/2 + 7.82757165e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 7 1/2 + --> 3/2 - 6.17703146e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 8 1/2 + --> 1/2 - 4.11381567e+01 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 9 1/2 + --> 3/2 - 3.39886865e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 10 1/2 + --> 3/2 + 3.23120631e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 11 1/2 + --> 5/2 + 1.59958866e+01 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 13 -- 1 3/2 + --> 1/2 + 1.92756442e+02 M1, E2 4.79311182e-01 5.14398045e-01 0.00000000e+00 0.00000000e+00 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1, M2 1.27708927e-01 -1.71583949e-01 0.00000000e+00 0.00000000e+00 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1, M2 -7.15925646e-03 7.28696970e-03 0.00000000e+00 0.00000000e+00 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1, M2 8.11524926e-02 -9.68759236e-02 0.00000000e+00 0.00000000e+00 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1, M2 -1.57557594e-02 1.36017552e-02 0.00000000e+00 0.00000000e+00 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1, E2 4.86509370e-01 5.02180716e-01 0.00000000e+00 0.00000000e+00 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1, M2 1.55588769e-03 -1.54984161e-03 0.00000000e+00 0.00000000e+00 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1, M2 2.00999651e-01 -3.36119688e-01 0.00000000e+00 0.00000000e+00 13 -- 9 3/2 + --> 3/2 - 3.77384074e+01 E1, M2 -4.40326480e-01 -4.36848580e+00 0.00000000e+00 0.00000000e+00 13 -- 10 3/2 + --> 3/2 + 3.60617840e+01 M1, E2 -4.00123917e-01 -4.00124318e-01 0.00000000e+00 0.00000000e+00 13 -- 11 3/2 + --> 5/2 + 1.97456074e+01 M1, E2 1.00027169e-01 9.97768463e-02 0.00000000e+00 0.00000000e+00 13 -- 12 3/2 + --> 1/2 + 3.74972081e+00 M1, E2 4.99455915e-01 4.98841702e-01 0.00000000e+00 0.00000000e+00 14 -- 1 5/2 + --> 1/2 + 2.40779407e+02 E2 -2.92167992e+00 -6.54210562e-01 -3.37366538e+00 -7.55417288e-01 14 -- 2 5/2 + --> 1/2 - 2.24671227e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 3 5/2 + --> 3/2 - 2.11145717e+02 E1, M2 -3.91655809e-01 1.91390849e-01 4.30935656e-04 1.02998431e-04 14 -- 4 5/2 + --> 1/2 - 1.64192281e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 5 5/2 + --> 5/2 - 1.57232586e+02 E1, M2 4.04391276e-02 -3.69413226e-02 5.67820705e-06 4.73718428e-06 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2 2.92166560e+00 -4.51855025e-01 3.37364885e+00 -5.21757241e-01 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1, M2 3.21722507e-02 -3.51982530e-02 1.28705225e-06 1.54047913e-06 14 -- 8 5/2 + --> 1/2 - 9.29108424e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1, M2 9.30125562e-02 -1.23787181e-01 -6.14017692e-06 -1.08764019e-05 14 -- 10 5/2 + --> 3/2 + 8.40847489e+01 M1, E2 3.70672734e-01 3.74338809e-01 5.77953292e-03 -7.90197061e-03 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1, E2 -4.30610411e-01 -4.18593719e-01 1.33861762e-02 -1.19383700e-02 14 -- 12 5/2 + --> 1/2 + 5.17726857e+01 E2 -1.37928256e-01 1.85897193e-01 -1.59265831e-01 2.14655589e-01 14 -- 13 5/2 + --> 3/2 + 4.80229649e+01 M1, E2 3.73465855e-01 3.72619345e-01 -2.31916285e-03 8.30518145e-04 15 -- 1 3/2 + --> 1/2 + 2.63985694e+02 M1, E2 3.72464459e-01 4.14111828e-01 0.00000000e+00 0.00000000e+00 15 -- 2 3/2 + --> 1/2 - 2.47877513e+02 E1, M2 -3.74584127e-01 2.14119633e-01 0.00000000e+00 0.00000000e+00 15 -- 3 3/2 + --> 3/2 - 2.34352003e+02 E1, M2 3.33270354e-01 -1.82105934e-01 0.00000000e+00 0.00000000e+00 15 -- 4 3/2 + --> 1/2 - 1.87398567e+02 E1, M2 -2.19099342e-01 1.52337641e-01 0.00000000e+00 0.00000000e+00 15 -- 5 3/2 + --> 5/2 - 1.80438872e+02 E1, M2 -8.04676958e-03 7.42288798e-03 0.00000000e+00 0.00000000e+00 15 -- 6 3/2 + --> 1/2 + 1.53254689e+02 M1, E2 6.44705083e-01 4.80489707e-01 0.00000000e+00 0.00000000e+00 15 -- 7 3/2 + --> 3/2 - 1.36749287e+02 E1, M2 4.32632566e-02 -3.90316843e-02 0.00000000e+00 0.00000000e+00 15 -- 8 3/2 + --> 1/2 - 1.16117129e+02 E1, M2 5.85732749e-02 -6.63443835e-02 0.00000000e+00 0.00000000e+00 15 -- 9 3/2 + --> 3/2 - 1.08967659e+02 E1, M2 -4.23281293e-02 4.73376053e-02 0.00000000e+00 0.00000000e+00 15 -- 10 3/2 + --> 3/2 + 1.07291035e+02 M1, E2 -3.08789741e-01 -2.87541391e-01 0.00000000e+00 0.00000000e+00 15 -- 11 3/2 + --> 5/2 + 9.09748588e+01 M1, E2 1.01926246e-01 9.50405193e-02 0.00000000e+00 0.00000000e+00 15 -- 12 3/2 + --> 1/2 + 7.49789722e+01 M1, E2 4.86663827e-01 5.13661493e-01 0.00000000e+00 0.00000000e+00 15 -- 13 3/2 + --> 3/2 + 7.12292514e+01 M1, E2 -3.99826042e-01 -3.99826348e-01 0.00000000e+00 0.00000000e+00 15 -- 14 3/2 + --> 5/2 + 2.32062865e+01 M1, E2 9.95021900e-02 9.99021515e-02 0.00000000e+00 0.00000000e+00 16 -- 1 1/2 + --> 1/2 + 2.84983112e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 2 1/2 + --> 1/2 - 2.68874932e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 3 1/2 + --> 3/2 - 2.55349422e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 4 1/2 + --> 1/2 - 2.08395986e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 5 1/2 + --> 5/2 - 2.01436291e+02 M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 6 1/2 + --> 1/2 + 1.74252107e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 7 1/2 + --> 3/2 - 1.57746706e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 8 1/2 + --> 1/2 - 1.37114548e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 9 1/2 + --> 3/2 - 1.29965077e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 10 1/2 + --> 3/2 + 1.28288454e+02 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 11 1/2 + --> 5/2 + 1.11972277e+02 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 12 1/2 + --> 1/2 + 9.59763909e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 13 1/2 + --> 3/2 + 9.22266701e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 14 1/2 + --> 5/2 + 4.42037052e+01 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 15 1/2 + --> 3/2 + 2.09974187e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 --------------------------------------------------------------------------------------------------------------------------------------------------------- PhotoEmission lifetimes (as derived from these computations): --------------------------------------------------------------------------------------------------------- Level J^P Level energy Used Gauge Lifetime Decay widths [eV] [a.u.] [sec] [eV] --------------------------------------------------------------------------------------------------------- 5 5/2 - -2.634280e+04 Coulomb 9.430812e+09 2.281204e-07 2.885370e-09 Babushkin 9.431219e+09 2.281303e-07 2.885246e-09 7 3/2 - -2.629911e+04 Coulomb 9.092082e+06 2.199269e-10 2.992866e-06 Babushkin 5.549586e+06 1.342381e-10 4.903319e-06 10 3/2 + -2.626965e+04 Coulomb 2.135563e+06 5.165680e-11 1.274202e-05 Babushkin 1.706519e+06 4.127871e-11 1.594555e-05 11 5/2 + -2.625334e+04 Coulomb 2.183543e+06 5.281738e-11 1.246203e-05 Babushkin 2.033233e+06 4.918155e-11 1.338331e-05 12 1/2 + -2.623734e+04 Coulomb 2.375014e+06 5.744884e-11 1.145736e-05 Babushkin 2.316210e+06 5.602644e-11 1.174824e-05 13 3/2 + -2.623359e+04 Coulomb 2.722380e+06 6.585122e-11 9.995441e-06 Babushkin 3.595643e+06 8.697443e-11 7.567879e-06 14 5/2 + -2.618557e+04 Coulomb 1.396841e+06 3.378798e-11 1.948066e-05 Babushkin 1.429720e+06 3.458327e-11 1.903267e-05 15 3/2 + -2.616236e+04 Coulomb 1.346961e+06 3.258142e-11 2.020206e-05 Babushkin 1.382736e+06 3.344680e-11 1.967937e-05 16 1/2 + -2.614137e+04 Coulomb 7.942669e+05 1.921240e-11 3.425975e-05 Babushkin 1.462659e+06 3.538003e-11 1.860405e-05 --------------------------------------------------------------------------------------------------------- Anisotropy (structure) functions: --------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles f_2 (Coulomb) f_2 (Babushkin) f_4 (Coulomb) f_4 (Babushkin) [eV] --------------------------------------------------------------------------------------------------------------------------------------------------------- 5 -- 1 5/2 - --> 1/2 + 8.35468213e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 5 -- 2 5/2 - --> 1/2 - 6.74386409e+01 E2 -6.19282417e-02 7.00432519e-02 -7.15085740e-02 8.08789807e-02 5 -- 3 5/2 - --> 3/2 - 5.39131311e+01 M1, E2 3.73615707e-01 3.72341180e-01 -3.15610137e-03 1.58790910e-03 5 -- 4 5/2 - --> 1/2 - 6.95969488e+00 E2 -1.13773613e+00 -1.00817603e+00 -1.31374453e+00 -1.16414141e+00 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1, M2 -1.40771827e-01 1.09842484e-01 0.00000000e+00 0.00000000e+00 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1, E2 4.90171177e-01 5.00340301e-01 0.00000000e+00 0.00000000e+00 7 -- 3 3/2 - --> 3/2 - 9.76027165e+01 M1, E2 -3.94846578e-01 -3.94715960e-01 0.00000000e+00 0.00000000e+00 7 -- 4 3/2 - --> 1/2 - 5.06492803e+01 M1, E2 5.00302973e-01 4.95390276e-01 0.00000000e+00 0.00000000e+00 7 -- 5 3/2 - --> 5/2 - 4.36895855e+01 M1, E2 1.00294901e-01 9.96899956e-02 0.00000000e+00 0.00000000e+00 7 -- 6 3/2 - --> 1/2 + 1.65054019e+01 E1, M2 2.91216019e-02 -3.09225942e-02 0.00000000e+00 0.00000000e+00 10 -- 1 3/2 + --> 1/2 + 1.56694658e+02 M1, E2 5.02228976e-01 4.98463424e-01 0.00000000e+00 0.00000000e+00 10 -- 2 3/2 + --> 1/2 - 1.40586478e+02 E1, M2 -5.01255575e-02 4.55590969e-02 0.00000000e+00 0.00000000e+00 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1, M2 5.68696267e-02 -4.97830397e-02 0.00000000e+00 0.00000000e+00 10 -- 4 3/2 + --> 1/2 - 8.01075318e+01 E1, M2 1.99297235e-01 -3.31462240e-01 0.00000000e+00 0.00000000e+00 10 -- 5 3/2 + --> 5/2 - 7.31478369e+01 E1, M2 -2.43588086e-02 1.95867919e-02 0.00000000e+00 0.00000000e+00 10 -- 6 3/2 + --> 1/2 + 4.59636534e+01 M1, E2 5.00092985e-01 4.98768185e-01 0.00000000e+00 0.00000000e+00 10 -- 7 3/2 + --> 3/2 - 2.94582515e+01 E1, M2 1.05964093e-01 -8.37726876e-02 0.00000000e+00 0.00000000e+00 10 -- 8 3/2 + --> 1/2 - 8.82609359e+00 E1, M2 4.57477742e-01 -5.37931545e+00 0.00000000e+00 0.00000000e+00 10 -- 9 3/2 + --> 3/2 - 1.67662340e+00 E1, M2 -2.92938424e-01 1.09446782e+00 0.00000000e+00 0.00000000e+00 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2 1.36660252e-01 -1.08834708e-01 1.57801666e-01 -1.25671496e-01 11 -- 2 5/2 + --> 1/2 - 1.56902654e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 3 5/2 + --> 3/2 - 1.43377145e+02 E1, M2 -4.71516048e-03 4.65627827e-03 -6.04857760e-07 -5.89763953e-07 11 -- 4 5/2 + --> 1/2 - 9.64237084e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 5 5/2 + --> 5/2 - 8.94640135e+01 E1, M2 7.90899164e-02 -6.67441890e-02 1.53777556e-06 1.09512239e-06 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2 1.64402140e-02 -1.59496533e-02 1.89835239e-02 -1.84170732e-02 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1, M2 1.85980161e-01 -3.69776454e-01 3.17218818e-06 1.25398467e-05 11 -- 8 5/2 + --> 1/2 - 2.51422702e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 9 5/2 + --> 3/2 - 1.79928000e+01 E1, M2 2.48571713e-01 -7.40534062e-01 9.53880892e-07 8.46597981e-06 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1, E2 3.70769629e-01 3.69837794e-01 -4.29750985e-03 -7.70541376e-04 12 -- 1 1/2 + --> 1/2 + 1.89006721e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 2 1/2 + --> 1/2 - 1.72898541e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 3 1/2 + --> 3/2 - 1.59373031e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 4 1/2 + --> 1/2 - 1.12419595e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 5 1/2 + --> 5/2 - 1.05459900e+02 M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 6 1/2 + --> 1/2 + 7.82757165e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 7 1/2 + --> 3/2 - 6.17703146e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 8 1/2 + --> 1/2 - 4.11381567e+01 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 9 1/2 + --> 3/2 - 3.39886865e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 10 1/2 + --> 3/2 + 3.23120631e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 11 1/2 + --> 5/2 + 1.59958866e+01 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 13 -- 1 3/2 + --> 1/2 + 1.92756442e+02 M1, E2 4.79311182e-01 5.14398045e-01 0.00000000e+00 0.00000000e+00 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1, M2 1.27708927e-01 -1.71583949e-01 0.00000000e+00 0.00000000e+00 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1, M2 -7.15925646e-03 7.28696970e-03 0.00000000e+00 0.00000000e+00 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1, M2 8.11524926e-02 -9.68759236e-02 0.00000000e+00 0.00000000e+00 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1, M2 -1.57557594e-02 1.36017552e-02 0.00000000e+00 0.00000000e+00 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1, E2 4.86509370e-01 5.02180716e-01 0.00000000e+00 0.00000000e+00 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1, M2 1.55588769e-03 -1.54984161e-03 0.00000000e+00 0.00000000e+00 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1, M2 2.00999651e-01 -3.36119688e-01 0.00000000e+00 0.00000000e+00 13 -- 9 3/2 + --> 3/2 - 3.77384074e+01 E1, M2 -4.40326480e-01 -4.36848580e+00 0.00000000e+00 0.00000000e+00 13 -- 10 3/2 + --> 3/2 + 3.60617840e+01 M1, E2 -4.00123917e-01 -4.00124318e-01 0.00000000e+00 0.00000000e+00 13 -- 11 3/2 + --> 5/2 + 1.97456074e+01 M1, E2 1.00027169e-01 9.97768463e-02 0.00000000e+00 0.00000000e+00 13 -- 12 3/2 + --> 1/2 + 3.74972081e+00 M1, E2 4.99455915e-01 4.98841702e-01 0.00000000e+00 0.00000000e+00 14 -- 1 5/2 + --> 1/2 + 2.40779407e+02 E2 -2.92167992e+00 -6.54210562e-01 -3.37366538e+00 -7.55417288e-01 14 -- 2 5/2 + --> 1/2 - 2.24671227e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 3 5/2 + --> 3/2 - 2.11145717e+02 E1, M2 -3.91655809e-01 1.91390849e-01 4.30935656e-04 1.02998431e-04 14 -- 4 5/2 + --> 1/2 - 1.64192281e+02 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 5 5/2 + --> 5/2 - 1.57232586e+02 E1, M2 4.04391276e-02 -3.69413226e-02 5.67820705e-06 4.73718428e-06 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2 2.92166560e+00 -4.51855025e-01 3.37364885e+00 -5.21757241e-01 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1, M2 3.21722507e-02 -3.51982530e-02 1.28705225e-06 1.54047913e-06 14 -- 8 5/2 + --> 1/2 - 9.29108424e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1, M2 9.30125562e-02 -1.23787181e-01 -6.14017692e-06 -1.08764019e-05 14 -- 10 5/2 + --> 3/2 + 8.40847489e+01 M1, E2 3.70672734e-01 3.74338809e-01 5.77953292e-03 -7.90197061e-03 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1, E2 -4.30610411e-01 -4.18593719e-01 1.33861762e-02 -1.19383700e-02 14 -- 12 5/2 + --> 1/2 + 5.17726857e+01 E2 -1.37928256e-01 1.85897193e-01 -1.59265831e-01 2.14655589e-01 14 -- 13 5/2 + --> 3/2 + 4.80229649e+01 M1, E2 3.73465855e-01 3.72619345e-01 -2.31916285e-03 8.30518145e-04 15 -- 1 3/2 + --> 1/2 + 2.63985694e+02 M1, E2 3.72464459e-01 4.14111828e-01 0.00000000e+00 0.00000000e+00 15 -- 2 3/2 + --> 1/2 - 2.47877513e+02 E1, M2 -3.74584127e-01 2.14119633e-01 0.00000000e+00 0.00000000e+00 15 -- 3 3/2 + --> 3/2 - 2.34352003e+02 E1, M2 3.33270354e-01 -1.82105934e-01 0.00000000e+00 0.00000000e+00 15 -- 4 3/2 + --> 1/2 - 1.87398567e+02 E1, M2 -2.19099342e-01 1.52337641e-01 0.00000000e+00 0.00000000e+00 15 -- 5 3/2 + --> 5/2 - 1.80438872e+02 E1, M2 -8.04676958e-03 7.42288798e-03 0.00000000e+00 0.00000000e+00 15 -- 6 3/2 + --> 1/2 + 1.53254689e+02 M1, E2 6.44705083e-01 4.80489707e-01 0.00000000e+00 0.00000000e+00 15 -- 7 3/2 + --> 3/2 - 1.36749287e+02 E1, M2 4.32632566e-02 -3.90316843e-02 0.00000000e+00 0.00000000e+00 15 -- 8 3/2 + --> 1/2 - 1.16117129e+02 E1, M2 5.85732749e-02 -6.63443835e-02 0.00000000e+00 0.00000000e+00 15 -- 9 3/2 + --> 3/2 - 1.08967659e+02 E1, M2 -4.23281293e-02 4.73376053e-02 0.00000000e+00 0.00000000e+00 15 -- 10 3/2 + --> 3/2 + 1.07291035e+02 M1, E2 -3.08789741e-01 -2.87541391e-01 0.00000000e+00 0.00000000e+00 15 -- 11 3/2 + --> 5/2 + 9.09748588e+01 M1, E2 1.01926246e-01 9.50405193e-02 0.00000000e+00 0.00000000e+00 15 -- 12 3/2 + --> 1/2 + 7.49789722e+01 M1, E2 4.86663827e-01 5.13661493e-01 0.00000000e+00 0.00000000e+00 15 -- 13 3/2 + --> 3/2 + 7.12292514e+01 M1, E2 -3.99826042e-01 -3.99826348e-01 0.00000000e+00 0.00000000e+00 15 -- 14 3/2 + --> 5/2 + 2.32062865e+01 M1, E2 9.95021900e-02 9.99021515e-02 0.00000000e+00 0.00000000e+00 16 -- 1 1/2 + --> 1/2 + 2.84983112e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 2 1/2 + --> 1/2 - 2.68874932e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 3 1/2 + --> 3/2 - 2.55349422e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 4 1/2 + --> 1/2 - 2.08395986e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 5 1/2 + --> 5/2 - 2.01436291e+02 M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 6 1/2 + --> 1/2 + 1.74252107e+02 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 7 1/2 + --> 3/2 - 1.57746706e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 8 1/2 + --> 1/2 - 1.37114548e+02 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 9 1/2 + --> 3/2 - 1.29965077e+02 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 10 1/2 + --> 3/2 + 1.28288454e+02 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 11 1/2 + --> 5/2 + 1.11972277e+02 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 12 1/2 + --> 1/2 + 9.59763909e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 13 1/2 + --> 3/2 + 9.22266701e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 14 1/2 + --> 5/2 + 4.42037052e+01 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 15 1/2 + --> 3/2 + 2.09974187e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 --------------------------------------------------------------------------------------------------------------------------------------------------------- testModule_PhotoEmission():: [OK] Test the module PhotoExcitation ... >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572818e+02 -6.59583512e+02 +1.62129646e-05 2 2s_1/2 -1.65624908e+02 -1.65626275e+02 +8.25380466e-06 3 3s_1/2 -7.32848255e+01 -7.32847802e+01 -6.18829677e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176869e-03 6 6s_1/2 -1.96012234e+01 -1.81861550e+01 -7.21928645e-02 7 7s_1/2 -1.73099251e+01 -1.33439712e+01 -2.29114445e-01 : : 61 61s_1/2 +1.07217980e+09 -1.74345027e-01 +1.00000000e+00 62 62s_1/2 +2.82403709e+09 -1.68763288e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626269e+02 -1.65626275e+02 +3.51600655e-08 2 3p_1/2 -7.32849532e+01 -7.32847802e+01 -2.36117317e-06 3 4p_1/2 -4.10886916e+01 -4.10855060e+01 -7.75295294e-05 4 5p_1/2 -2.62516709e+01 -2.62329647e+01 -7.12568283e-04 5 6p_1/2 -1.83144880e+01 -1.81861550e+01 -7.00718586e-03 6 7p_1/2 -1.45572125e+01 -1.33439712e+01 -8.33429684e-02 7 8p_1/2 -1.22268086e+01 -1.02061694e+01 -1.65263016e-01 : : 61 62p_1/2 +1.31121661e+09 -1.68763288e-01 +1.00000000e+00 62 63p_1/2 +6.75303363e+09 -1.63445372e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704879e+02 -1.62704858e+02 -1.30004330e-07 2 3p_3/2 -7.24182136e+01 -7.24179626e+01 -3.46648311e-06 3 4p_3/2 -4.07283459e+01 -4.07203638e+01 -1.95983472e-04 4 5p_3/2 -2.61758836e+01 -2.60463105e+01 -4.95009559e-03 5 6p_3/2 -2.18542327e+01 -1.80782839e+01 -1.72778831e-01 6 7p_3/2 -1.76630982e+01 -1.32761162e+01 -2.48369905e-01 7 8p_3/2 -1.27429419e+01 -1.01607532e+01 -2.02636782e-01 : : 61 62p_3/2 +1.75348509e+09 -1.68666399e-01 +1.00000000e+00 62 63p_3/2 +6.75813749e+09 -1.63353026e-01 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.3041907e+02; self-cons'cy = 2.2600e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4997690e+02; self-cons'cy = 4.9582e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4793527e+02; self-cons'cy = 5.6420e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4534845e+02; self-cons'cy = 5.6342e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094980e+02; self-cons'cy = 4.2076e-04 [2.7989e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014854e+02; self-cons'cy = 5.7190e-04 [2.7989e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4810042e+02; self-cons'cy = 5.5787e-04 [1.7283e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4546110e+02; self-cons'cy = 3.8736e-04 [2.6853e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094141e+02; self-cons'cy = 6.6475e-06 [4.0109e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014603e+02; self-cons'cy = 8.3642e-06 [4.0109e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809829e+02; self-cons'cy = 7.2019e-06 [2.2011e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545982e+02; self-cons'cy = 4.4225e-06 [3.0533e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094153e+02; self-cons'cy = 9.1538e-08 [5.3473e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014606e+02; self-cons'cy = 1.1093e-07 [5.3473e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809832e+02; self-cons'cy = 8.7015e-08 [2.6570e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545983e+02; self-cons'cy = 5.0803e-08 [3.5069e-07 for sym-block kappa = -2] >>> Sign changed for orbital 2p_3/2 > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -9.711504212090781e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900309e+02 -2.641024081452560e+04 -2.641024081452560e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011058e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021923e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409183e+02 -2.627848043032709e+04 -2.627848043032709e+04 9 3/2 - -9.654536134553871e+02 -2.627133096013840e+04 -2.627133096013840e+04 10 3/2 + -9.653919986814907e+02 -2.626965433674137e+04 -2.626965433674137e+04 11 5/2 + -9.647923902465742e+02 -2.625333816015801e+04 -2.625333816015801e+04 12 1/2 + -9.642045522528894e+02 -2.623734227359463e+04 -2.623734227359463e+04 13 3/2 + -9.640667525534584e+02 -2.623359255277998e+04 -2.623359255277998e+04 14 5/2 + -9.623019411297864e+02 -2.618556958787793e+04 -2.618556958787793e+04 15 3/2 + -9.614491258240491e+02 -2.616236330138975e+04 -2.616236330138975e+04 16 1/2 + -9.606774849128176e+02 -2.614136588268540e+04 -2.614136588268540e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 4.970533204115100e-01 1.352550977424034e+01 1.352550977424034e+01 4 1/2 - 1.725506968513628e+00 4.695343620042431e+01 4.695343620042431e+01 5 5/2 - 2.557640715224352e-01 6.959694880243873e+00 6.959694880243873e+00 6 1/2 + 9.990003273910588e-01 2.718418354274448e+01 2.718418354274448e+01 7 3/2 - 6.065623376754274e-01 1.650540191567964e+01 1.650540191567964e+01 8 1/2 - 7.582178235985566e-01 2.063215788518459e+01 2.063215788518459e+01 9 3/2 - 2.627381855312478e-01 7.149470188685163e+00 7.149470188685163e+00 10 3/2 + 6.161477389639458e-02 1.676623397029812e+00 1.676623397029812e+00 11 5/2 + 5.996084349164903e-01 1.631617658336067e+01 1.631617658336067e+01 12 1/2 + 5.878379936848432e-01 1.599588656338059e+01 1.599588656338059e+01 13 3/2 + 1.377996994309569e-01 3.749720814655743e+00 3.749720814655743e+00 14 5/2 + 1.764811423671972e+00 4.802296490204380e+01 4.802296490204380e+01 15 3/2 + 8.528153057372947e-01 2.320628648818185e+01 2.320628648818185e+01 16 1/2 + 7.716409112315432e-01 2.099741870434607e+01 2.099741870434607e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 1.089018039458665e+00 2.963369025445332e+01 2.963369025445332e+01 4 1/2 - 2.814525007972293e+00 7.658712645487763e+01 7.658712645487763e+01 5 5/2 - 3.070289079494728e+00 8.354682133512151e+01 8.354682133512151e+01 6 1/2 + 4.069289406885787e+00 1.107310048778660e+02 1.107310048778660e+02 7 3/2 - 4.675851744561214e+00 1.272364067935456e+02 1.272364067935456e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691019e+00 1.550180348674154e+02 1.550180348674154e+02 10 3/2 + 5.758422527587413e+00 1.566946582644452e+02 1.566946582644452e+02 11 5/2 + 6.358030962503904e+00 1.730108348478059e+02 1.730108348478059e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619704e+00 1.927564422258422e+02 1.927564422258422e+02 14 5/2 + 8.848480079291676e+00 2.407794071278860e+02 2.407794071278860e+02 15 3/2 + 9.701295385028970e+00 2.639856936160679e+02 2.639856936160679e+02 16 1/2 + 1.047293629626051e+01 2.849831123204139e+02 2.849831123204139e+02 >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572818e+02 -6.59583512e+02 +1.62129646e-05 2 2s_1/2 -1.65624908e+02 -1.65626275e+02 +8.25380466e-06 3 3s_1/2 -7.32848255e+01 -7.32847802e+01 -6.18829677e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176869e-03 6 6s_1/2 -1.96012234e+01 -1.81861550e+01 -7.21928645e-02 7 7s_1/2 -1.73099251e+01 -1.33439712e+01 -2.29114445e-01 : : 61 61s_1/2 +1.07217980e+09 -1.74345027e-01 +1.00000000e+00 62 62s_1/2 +2.82403709e+09 -1.68763288e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626269e+02 -1.65626275e+02 +3.51600655e-08 2 3p_1/2 -7.32849532e+01 -7.32847802e+01 -2.36117317e-06 3 4p_1/2 -4.10886916e+01 -4.10855060e+01 -7.75295294e-05 4 5p_1/2 -2.62516709e+01 -2.62329647e+01 -7.12568283e-04 5 6p_1/2 -1.83144880e+01 -1.81861550e+01 -7.00718586e-03 6 7p_1/2 -1.45572125e+01 -1.33439712e+01 -8.33429684e-02 7 8p_1/2 -1.22268086e+01 -1.02061694e+01 -1.65263016e-01 : : 61 62p_1/2 +1.31121661e+09 -1.68763288e-01 +1.00000000e+00 62 63p_1/2 +6.75303363e+09 -1.63445372e-01 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704879e+02 -1.62704858e+02 -1.30004330e-07 2 3p_3/2 -7.24182136e+01 -7.24179626e+01 -3.46648311e-06 3 4p_3/2 -4.07283459e+01 -4.07203638e+01 -1.95983472e-04 4 5p_3/2 -2.61758836e+01 -2.60463105e+01 -4.95009559e-03 5 6p_3/2 -2.18542327e+01 -1.80782839e+01 -1.72778831e-01 6 7p_3/2 -1.76630982e+01 -1.32761162e+01 -2.48369905e-01 7 8p_3/2 -1.27429419e+01 -1.01607532e+01 -2.02636782e-01 : : 61 62p_3/2 +1.75348509e+09 -1.68666399e-01 +1.00000000e+00 62 63p_3/2 +6.75813749e+09 -1.63353026e-01 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.3041907e+02; self-cons'cy = 2.2600e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4997690e+02; self-cons'cy = 4.9582e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4793527e+02; self-cons'cy = 5.6420e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4534845e+02; self-cons'cy = 5.6342e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094980e+02; self-cons'cy = 4.2076e-04 [2.7989e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014854e+02; self-cons'cy = 5.7190e-04 [2.7989e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4810042e+02; self-cons'cy = 5.5787e-04 [1.7283e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4546110e+02; self-cons'cy = 3.8736e-04 [2.6853e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094141e+02; self-cons'cy = 6.6475e-06 [4.0109e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014603e+02; self-cons'cy = 8.3642e-06 [4.0109e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809829e+02; self-cons'cy = 7.2019e-06 [2.2011e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545982e+02; self-cons'cy = 4.4225e-06 [3.0533e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.3094153e+02; self-cons'cy = 9.1538e-08 [5.3473e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.5014606e+02; self-cons'cy = 1.1093e-07 [5.3473e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.4809832e+02; self-cons'cy = 8.7015e-08 [2.6570e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.4545983e+02; self-cons'cy = 5.0803e-08 [3.5069e-07 for sym-block kappa = -2] >>> Sign changed for orbital 2p_3/2 > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 4 x 4 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -9.711504212090781e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900309e+02 -2.641024081452560e+04 -2.641024081452560e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011058e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021923e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409183e+02 -2.627848043032709e+04 -2.627848043032709e+04 9 3/2 - -9.654536134553871e+02 -2.627133096013840e+04 -2.627133096013840e+04 10 3/2 + -9.653919986814907e+02 -2.626965433674137e+04 -2.626965433674137e+04 11 5/2 + -9.647923902465742e+02 -2.625333816015801e+04 -2.625333816015801e+04 12 1/2 + -9.642045522528894e+02 -2.623734227359463e+04 -2.623734227359463e+04 13 3/2 + -9.640667525534584e+02 -2.623359255277998e+04 -2.623359255277998e+04 14 5/2 + -9.623019411297864e+02 -2.618556958787793e+04 -2.618556958787793e+04 15 3/2 + -9.614491258240491e+02 -2.616236330138975e+04 -2.616236330138975e+04 16 1/2 + -9.606774849128176e+02 -2.614136588268540e+04 -2.614136588268540e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 4.970533204115100e-01 1.352550977424034e+01 1.352550977424034e+01 4 1/2 - 1.725506968513628e+00 4.695343620042431e+01 4.695343620042431e+01 5 5/2 - 2.557640715224352e-01 6.959694880243873e+00 6.959694880243873e+00 6 1/2 + 9.990003273910588e-01 2.718418354274448e+01 2.718418354274448e+01 7 3/2 - 6.065623376754274e-01 1.650540191567964e+01 1.650540191567964e+01 8 1/2 - 7.582178235985566e-01 2.063215788518459e+01 2.063215788518459e+01 9 3/2 - 2.627381855312478e-01 7.149470188685163e+00 7.149470188685163e+00 10 3/2 + 6.161477389639458e-02 1.676623397029812e+00 1.676623397029812e+00 11 5/2 + 5.996084349164903e-01 1.631617658336067e+01 1.631617658336067e+01 12 1/2 + 5.878379936848432e-01 1.599588656338059e+01 1.599588656338059e+01 13 3/2 + 1.377996994309569e-01 3.749720814655743e+00 3.749720814655743e+00 14 5/2 + 1.764811423671972e+00 4.802296490204380e+01 4.802296490204380e+01 15 3/2 + 8.528153057372947e-01 2.320628648818185e+01 2.320628648818185e+01 16 1/2 + 7.716409112315432e-01 2.099741870434607e+01 2.099741870434607e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 5.919647190471551e-01 1.610818048021298e+01 1.610818048021298e+01 3 3/2 - 1.089018039458665e+00 2.963369025445332e+01 2.963369025445332e+01 4 1/2 - 2.814525007972293e+00 7.658712645487763e+01 7.658712645487763e+01 5 5/2 - 3.070289079494728e+00 8.354682133512151e+01 8.354682133512151e+01 6 1/2 + 4.069289406885787e+00 1.107310048778660e+02 1.107310048778660e+02 7 3/2 - 4.675851744561214e+00 1.272364067935456e+02 1.272364067935456e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691019e+00 1.550180348674154e+02 1.550180348674154e+02 10 3/2 + 5.758422527587413e+00 1.566946582644452e+02 1.566946582644452e+02 11 5/2 + 6.358030962503904e+00 1.730108348478059e+02 1.730108348478059e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619704e+00 1.927564422258422e+02 1.927564422258422e+02 14 5/2 + 8.848480079291676e+00 2.407794071278860e+02 2.407794071278860e+02 15 3/2 + 9.701295385028970e+00 2.639856936160679e+02 2.639856936160679e+02 16 1/2 + 1.047293629626051e+01 2.849831123204139e+02 2.849831123204139e+02 PhotoExcitation.computeLines(): The computation of the excitation cross sections, etc. starts now ... ----------------------------------------------------------------------------------------------------- Selected photo-excitation lines: ------------------------------------------------------------------------------------------------------------------------ i-level-f i--J^P--f Energy List of multipoles [eV] ------------------------------------------------------------------------------------------------------------------------ 1 -- 2 1/2 + --> 1/2 - 1.61081805e+01 E1(Coulomb), E1(Babushkin) 1 -- 3 1/2 + --> 3/2 - 2.96336903e+01 E1(Coulomb), E1(Babushkin) 1 -- 4 1/2 + --> 1/2 - 7.65871265e+01 E1(Coulomb), E1(Babushkin) 1 -- 6 1/2 + --> 1/2 + 1.10731005e+02 M1(Magnetic) 1 -- 7 1/2 + --> 3/2 - 1.27236407e+02 E1(Coulomb), E1(Babushkin) 1 -- 8 1/2 + --> 1/2 - 1.47868565e+02 E1(Coulomb), E1(Babushkin) 1 -- 9 1/2 + --> 3/2 - 1.55018035e+02 E1(Coulomb), E1(Babushkin) 1 -- 10 1/2 + --> 3/2 + 1.56694658e+02 M1(Magnetic) 1 -- 12 1/2 + --> 1/2 + 1.89006721e+02 M1(Magnetic) 1 -- 13 1/2 + --> 3/2 + 1.92756442e+02 M1(Magnetic) 1 -- 15 1/2 + --> 3/2 + 2.63985694e+02 M1(Magnetic) 1 -- 16 1/2 + --> 1/2 + 2.84983112e+02 M1(Magnetic) 2 -- 3 1/2 - --> 3/2 - 1.35255098e+01 M1(Magnetic) 2 -- 4 1/2 - --> 1/2 - 6.04789460e+01 M1(Magnetic) 2 -- 6 1/2 - --> 1/2 + 9.46228244e+01 E1(Coulomb), E1(Babushkin) 2 -- 7 1/2 - --> 3/2 - 1.11128226e+02 M1(Magnetic) 2 -- 8 1/2 - --> 1/2 - 1.31760384e+02 M1(Magnetic) 2 -- 9 1/2 - --> 3/2 - 1.38909854e+02 M1(Magnetic) 2 -- 10 1/2 - --> 3/2 + 1.40586478e+02 E1(Coulomb), E1(Babushkin) 2 -- 12 1/2 - --> 1/2 + 1.72898541e+02 E1(Coulomb), E1(Babushkin) 2 -- 13 1/2 - --> 3/2 + 1.76648262e+02 E1(Coulomb), E1(Babushkin) 2 -- 15 1/2 - --> 3/2 + 2.47877513e+02 E1(Coulomb), E1(Babushkin) 2 -- 16 1/2 - --> 1/2 + 2.68874932e+02 E1(Coulomb), E1(Babushkin) 3 -- 4 3/2 - --> 1/2 - 4.69534362e+01 M1(Magnetic) 3 -- 5 3/2 - --> 5/2 - 5.39131311e+01 M1(Magnetic) 3 -- 6 3/2 - --> 1/2 + 8.10973146e+01 E1(Coulomb), E1(Babushkin) 3 -- 7 3/2 - --> 3/2 - 9.76027165e+01 M1(Magnetic) 3 -- 8 3/2 - --> 1/2 - 1.18234874e+02 M1(Magnetic) 3 -- 9 3/2 - --> 3/2 - 1.25384345e+02 M1(Magnetic) 3 -- 10 3/2 - --> 3/2 + 1.27060968e+02 E1(Coulomb), E1(Babushkin) 3 -- 11 3/2 - --> 5/2 + 1.43377145e+02 E1(Coulomb), E1(Babushkin) 3 -- 12 3/2 - --> 1/2 + 1.59373031e+02 E1(Coulomb), E1(Babushkin) 3 -- 13 3/2 - --> 3/2 + 1.63122752e+02 E1(Coulomb), E1(Babushkin) 3 -- 14 3/2 - --> 5/2 + 2.11145717e+02 E1(Coulomb), E1(Babushkin) 3 -- 15 3/2 - --> 3/2 + 2.34352003e+02 E1(Coulomb), E1(Babushkin) 3 -- 16 3/2 - --> 1/2 + 2.55349422e+02 E1(Coulomb), E1(Babushkin) 4 -- 6 1/2 - --> 1/2 + 3.41438784e+01 E1(Coulomb), E1(Babushkin) 4 -- 7 1/2 - --> 3/2 - 5.06492803e+01 M1(Magnetic) 4 -- 8 1/2 - --> 1/2 - 7.12814382e+01 M1(Magnetic) 4 -- 9 1/2 - --> 3/2 - 7.84309084e+01 M1(Magnetic) 4 -- 10 1/2 - --> 3/2 + 8.01075318e+01 E1(Coulomb), E1(Babushkin) 4 -- 12 1/2 - --> 1/2 + 1.12419595e+02 E1(Coulomb), E1(Babushkin) 4 -- 13 1/2 - --> 3/2 + 1.16169316e+02 E1(Coulomb), E1(Babushkin) 4 -- 15 1/2 - --> 3/2 + 1.87398567e+02 E1(Coulomb), E1(Babushkin) 4 -- 16 1/2 - --> 1/2 + 2.08395986e+02 E1(Coulomb), E1(Babushkin) 5 -- 7 5/2 - --> 3/2 - 4.36895855e+01 M1(Magnetic) 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1(Magnetic) 5 -- 10 5/2 - --> 3/2 + 7.31478369e+01 E1(Coulomb), E1(Babushkin) 5 -- 11 5/2 - --> 5/2 + 8.94640135e+01 E1(Coulomb), E1(Babushkin) 5 -- 13 5/2 - --> 3/2 + 1.09209621e+02 E1(Coulomb), E1(Babushkin) 5 -- 14 5/2 - --> 5/2 + 1.57232586e+02 E1(Coulomb), E1(Babushkin) 5 -- 15 5/2 - --> 3/2 + 1.80438872e+02 E1(Coulomb), E1(Babushkin) 6 -- 7 1/2 + --> 3/2 - 1.65054019e+01 E1(Coulomb), E1(Babushkin) 6 -- 8 1/2 + --> 1/2 - 3.71375598e+01 E1(Coulomb), E1(Babushkin) 6 -- 9 1/2 + --> 3/2 - 4.42870300e+01 E1(Coulomb), E1(Babushkin) 6 -- 10 1/2 + --> 3/2 + 4.59636534e+01 M1(Magnetic) 6 -- 12 1/2 + --> 1/2 + 7.82757165e+01 M1(Magnetic) 6 -- 13 1/2 + --> 3/2 + 8.20254373e+01 M1(Magnetic) 6 -- 15 1/2 + --> 3/2 + 1.53254689e+02 M1(Magnetic) 6 -- 16 1/2 + --> 1/2 + 1.74252107e+02 M1(Magnetic) 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1(Magnetic) 7 -- 9 3/2 - --> 3/2 - 2.77816281e+01 M1(Magnetic) 7 -- 10 3/2 - --> 3/2 + 2.94582515e+01 E1(Coulomb), E1(Babushkin) 7 -- 11 3/2 - --> 5/2 + 4.57744281e+01 E1(Coulomb), E1(Babushkin) 7 -- 12 3/2 - --> 1/2 + 6.17703146e+01 E1(Coulomb), E1(Babushkin) 7 -- 13 3/2 - --> 3/2 + 6.55200354e+01 E1(Coulomb), E1(Babushkin) 7 -- 14 3/2 - --> 5/2 + 1.13543000e+02 E1(Coulomb), E1(Babushkin) 7 -- 15 3/2 - --> 3/2 + 1.36749287e+02 E1(Coulomb), E1(Babushkin) 7 -- 16 3/2 - --> 1/2 + 1.57746706e+02 E1(Coulomb), E1(Babushkin) 8 -- 9 1/2 - --> 3/2 - 7.14947019e+00 M1(Magnetic) 8 -- 10 1/2 - --> 3/2 + 8.82609359e+00 E1(Coulomb), E1(Babushkin) 8 -- 12 1/2 - --> 1/2 + 4.11381567e+01 E1(Coulomb), E1(Babushkin) 8 -- 13 1/2 - --> 3/2 + 4.48878775e+01 E1(Coulomb), E1(Babushkin) 8 -- 15 1/2 - --> 3/2 + 1.16117129e+02 E1(Coulomb), E1(Babushkin) 8 -- 16 1/2 - --> 1/2 + 1.37114548e+02 E1(Coulomb), E1(Babushkin) 9 -- 10 3/2 - --> 3/2 + 1.67662340e+00 E1(Coulomb), E1(Babushkin) 9 -- 11 3/2 - --> 5/2 + 1.79928000e+01 E1(Coulomb), E1(Babushkin) 9 -- 12 3/2 - --> 1/2 + 3.39886865e+01 E1(Coulomb), E1(Babushkin) 9 -- 13 3/2 - --> 3/2 + 3.77384074e+01 E1(Coulomb), E1(Babushkin) 9 -- 14 3/2 - --> 5/2 + 8.57613723e+01 E1(Coulomb), E1(Babushkin) 9 -- 15 3/2 - --> 3/2 + 1.08967659e+02 E1(Coulomb), E1(Babushkin) 9 -- 16 3/2 - --> 1/2 + 1.29965077e+02 E1(Coulomb), E1(Babushkin) 10 -- 11 3/2 + --> 5/2 + 1.63161766e+01 M1(Magnetic) 10 -- 12 3/2 + --> 1/2 + 3.23120631e+01 M1(Magnetic) 10 -- 13 3/2 + --> 3/2 + 3.60617840e+01 M1(Magnetic) 10 -- 14 3/2 + --> 5/2 + 8.40847489e+01 M1(Magnetic) 10 -- 15 3/2 + --> 3/2 + 1.07291035e+02 M1(Magnetic) 10 -- 16 3/2 + --> 1/2 + 1.28288454e+02 M1(Magnetic) 11 -- 13 5/2 + --> 3/2 + 1.97456074e+01 M1(Magnetic) 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1(Magnetic) 11 -- 15 5/2 + --> 3/2 + 9.09748588e+01 M1(Magnetic) 12 -- 13 1/2 + --> 3/2 + 3.74972081e+00 M1(Magnetic) 12 -- 15 1/2 + --> 3/2 + 7.49789722e+01 M1(Magnetic) 12 -- 16 1/2 + --> 1/2 + 9.59763909e+01 M1(Magnetic) 13 -- 14 3/2 + --> 5/2 + 4.80229649e+01 M1(Magnetic) 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1(Magnetic) 13 -- 16 3/2 + --> 1/2 + 9.22266701e+01 M1(Magnetic) 14 -- 15 5/2 + --> 3/2 + 2.32062865e+01 M1(Magnetic) 15 -- 16 3/2 + --> 1/2 + 2.09974187e+01 M1(Magnetic) ------------------------------------------------------------------------------------------------------------------------ Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [2-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [2-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [3-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [3-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [4-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [4-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-1] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-1] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [3-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [4-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-2] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-2] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [4-3] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [5-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-3] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-3] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-3] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-3] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [6-4] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-4] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-4] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-4] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-4] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-5] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-5] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [7-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-6] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-6] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [8-7] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-7] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-7] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [9-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-8] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [10-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-9] ... done. Compute radiative E1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-9] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [11-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [12-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-10] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-11] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [13-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-12] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [14-13] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-13] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-13] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [15-14] ... done. Compute radiative M1 matrix of dimension 16 x 16 in the initial- and final-state bases for the transition [16-15] ... done. Photoexcitation resonance strength as derived from oscillator strength: -------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles Cou -- f_ik -- Bab Cou -- S -- Bab [eV] absorption [Mb eV] -------------------------------------------------------------------------------------------------------------------------- 1 -- 2 1/2 + --> 1/2 - 1.61081805e+01 E1 1.0961e-04 2.4332e-05 1.2031e-02 2.6707e-03 1 -- 3 1/2 + --> 3/2 - 2.96336903e+01 E1 1.7808e-03 4.8501e-04 1.9546e-01 5.3235e-02 1 -- 4 1/2 + --> 1/2 - 7.65871265e+01 E1 1.5170e-03 1.2909e-03 1.6651e-01 1.4169e-01 1 -- 6 1/2 + --> 1/2 + 1.10731005e+02 M1 3.7247e-08 3.7247e-08 4.0882e-06 4.0882e-06 1 -- 7 1/2 + --> 3/2 - 1.27236407e+02 E1 1.2876e-02 2.1141e-02 1.4133e+00 2.3204e+00 1 -- 8 1/2 + --> 1/2 - 1.47868565e+02 E1 2.3017e-02 4.5793e-02 2.5263e+00 5.0263e+00 1 -- 9 1/2 + --> 3/2 - 1.55018035e+02 E1 3.4039e-02 7.4830e-02 3.7361e+00 8.2134e+00 1 -- 10 1/2 + --> 3/2 + 1.56694658e+02 M1 4.7827e-06 4.7827e-06 5.2496e-04 5.2496e-04 1 -- 12 1/2 + --> 1/2 + 1.89006721e+02 M1 1.3059e-06 1.3059e-06 1.4334e-04 1.4334e-04 1 -- 13 1/2 + --> 3/2 + 1.92756442e+02 M1 7.3661e-07 7.3661e-07 8.0851e-05 8.0851e-05 1 -- 15 1/2 + --> 3/2 + 2.63985694e+02 M1 1.2103e-07 1.2103e-07 1.3284e-05 1.3284e-05 1 -- 16 1/2 + --> 1/2 + 2.84983112e+02 M1 4.9372e-09 4.9372e-09 5.4191e-07 5.4191e-07 2 -- 3 1/2 - --> 3/2 - 1.35255098e+01 M1 9.4088e-06 9.4088e-06 1.0327e-03 1.0327e-03 2 -- 4 1/2 - --> 1/2 - 6.04789460e+01 M1 5.2782e-09 5.2782e-09 5.7935e-07 5.7935e-07 2 -- 6 1/2 - --> 1/2 + 9.46228244e+01 E1 1.6880e-03 5.8919e-03 1.8527e-01 6.4670e-01 2 -- 7 1/2 - --> 3/2 - 1.11128226e+02 M1 2.1159e-05 2.1159e-05 2.3224e-03 2.3224e-03 2 -- 8 1/2 - --> 1/2 - 1.31760384e+02 M1 3.3119e-06 3.3119e-06 3.6351e-04 3.6351e-04 2 -- 9 1/2 - --> 3/2 - 1.38909854e+02 M1 5.1304e-06 5.1304e-06 5.6312e-04 5.6312e-04 2 -- 10 1/2 - --> 3/2 + 1.40586478e+02 E1 3.4742e-02 4.2065e-02 3.8133e+00 4.6171e+00 2 -- 12 1/2 - --> 1/2 + 1.72898541e+02 E1 3.1069e-03 2.7198e-03 3.4102e-01 2.9853e-01 2 -- 13 1/2 - --> 3/2 + 1.76648262e+02 E1 5.3552e-04 2.9787e-04 5.8779e-02 3.2695e-02 2 -- 15 1/2 - --> 3/2 + 2.47877513e+02 E1 4.3336e-05 1.3232e-04 4.7566e-03 1.4523e-02 2 -- 16 1/2 - --> 1/2 + 2.68874932e+02 E1 1.4010e-04 1.8220e-04 1.5377e-02 1.9998e-02 3 -- 4 3/2 - --> 1/2 - 4.69534362e+01 M1 7.0803e-07 7.0803e-07 7.7714e-05 7.7714e-05 3 -- 5 3/2 - --> 5/2 - 5.39131311e+01 M1 1.0426e-04 1.0426e-04 1.1443e-02 1.1443e-02 3 -- 6 3/2 - --> 1/2 + 8.10973146e+01 E1 6.6958e-03 3.1820e-02 7.3494e-01 3.4926e+00 3 -- 7 3/2 - --> 3/2 - 9.76027165e+01 M1 2.8989e-05 2.8989e-05 3.1819e-03 3.1819e-03 3 -- 8 3/2 - --> 1/2 - 1.18234874e+02 M1 4.6224e-05 4.6224e-05 5.0735e-03 5.0735e-03 3 -- 9 3/2 - --> 3/2 - 1.25384345e+02 M1 2.3096e-05 2.3096e-05 2.5350e-03 2.5350e-03 3 -- 10 3/2 - --> 3/2 + 1.27060968e+02 E1 7.9937e-03 1.0431e-02 8.7739e-01 1.1450e+00 3 -- 11 3/2 - --> 5/2 + 1.43377145e+02 E1 5.1848e-02 5.3175e-02 5.6909e+00 5.8365e+00 3 -- 12 3/2 - --> 1/2 + 1.59373031e+02 E1 2.0706e-03 7.9408e-04 2.2727e-01 8.7159e-02 3 -- 13 3/2 - --> 3/2 + 1.63122752e+02 E1 6.5764e-03 6.3479e-03 7.2183e-01 6.9675e-01 3 -- 14 3/2 - --> 5/2 + 2.11145717e+02 E1 4.4083e-04 1.8444e-03 4.8386e-02 2.0244e-01 3 -- 15 3/2 - --> 3/2 + 2.34352003e+02 E1 2.7555e-05 9.2289e-05 3.0245e-03 1.0130e-02 3 -- 16 3/2 - --> 1/2 + 2.55349422e+02 E1 1.5212e-03 8.5812e-04 1.6697e-01 9.4188e-02 4 -- 6 1/2 - --> 1/2 + 3.41438784e+01 E1 1.5369e-10 2.2266e-03 1.6869e-08 2.4439e-01 4 -- 7 1/2 - --> 3/2 - 5.06492803e+01 M1 1.4651e-05 1.4651e-05 1.6081e-03 1.6081e-03 4 -- 8 1/2 - --> 1/2 - 7.12814382e+01 M1 7.3700e-06 7.3700e-06 8.0894e-04 8.0894e-04 4 -- 9 1/2 - --> 3/2 - 7.84309084e+01 M1 5.1416e-06 5.1416e-06 5.6435e-04 5.6435e-04 4 -- 10 1/2 - --> 3/2 + 8.01075318e+01 E1 1.6874e-04 6.1138e-05 1.8521e-02 6.7106e-03 4 -- 12 1/2 - --> 1/2 + 1.12419595e+02 E1 1.8368e-02 2.2101e-02 2.0161e+00 2.4258e+00 4 -- 13 1/2 - --> 3/2 + 1.16169316e+02 E1 2.7814e-02 1.9518e-02 3.0529e+00 2.1423e+00 4 -- 15 1/2 - --> 3/2 + 1.87398567e+02 E1 1.2820e-03 2.6505e-03 1.4071e-01 2.9092e-01 4 -- 16 1/2 - --> 1/2 + 2.08395986e+02 E1 8.1689e-04 4.2631e-05 8.9663e-02 4.6792e-03 5 -- 7 5/2 - --> 3/2 - 4.36895855e+01 M1 2.3329e-04 2.3329e-04 2.5606e-02 2.5606e-02 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1 8.9920e-05 8.9920e-05 9.8697e-03 9.8697e-03 5 -- 10 5/2 - --> 3/2 + 7.31478369e+01 E1 1.4039e-02 2.1712e-02 1.5409e+00 2.3831e+00 5 -- 11 5/2 - --> 5/2 + 8.94640135e+01 E1 2.7430e-02 3.8517e-02 3.0107e+00 4.2277e+00 5 -- 13 5/2 - --> 3/2 + 1.09209621e+02 E1 6.0593e-05 8.1204e-05 6.6507e-03 8.9131e-03 5 -- 14 5/2 - --> 5/2 + 1.57232586e+02 E1 4.0919e-02 4.9048e-02 4.4913e+00 5.3835e+00 5 -- 15 5/2 - --> 3/2 + 1.80438872e+02 E1 2.2495e-03 2.6288e-03 2.4691e-01 2.8854e-01 6 -- 7 1/2 + --> 3/2 - 1.65054019e+01 E1 3.7124e-04 3.2925e-04 4.0748e-02 3.6139e-02 6 -- 8 1/2 + --> 1/2 - 3.71375598e+01 E1 2.6997e-04 2.9057e-03 2.9632e-02 3.1894e-01 6 -- 9 1/2 + --> 3/2 - 4.42870300e+01 E1 1.1465e-05 4.1940e-03 1.2584e-03 4.6033e-01 6 -- 10 1/2 + --> 3/2 + 4.59636534e+01 M1 2.8194e-05 2.8194e-05 3.0946e-03 3.0946e-03 6 -- 12 1/2 + --> 1/2 + 7.82757165e+01 M1 7.2846e-06 7.2846e-06 7.9957e-04 7.9957e-04 6 -- 13 1/2 + --> 3/2 + 8.20254373e+01 M1 1.8100e-05 1.8100e-05 1.9866e-03 1.9866e-03 6 -- 15 1/2 + --> 3/2 + 1.53254689e+02 M1 8.8030e-08 8.8030e-08 9.6622e-06 9.6622e-06 6 -- 16 1/2 + --> 1/2 + 1.74252107e+02 M1 2.3281e-06 2.3281e-06 2.5554e-04 2.5554e-04 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1 9.6343e-05 9.6343e-05 1.0575e-02 1.0575e-02 7 -- 9 3/2 - --> 3/2 - 2.77816281e+01 M1 1.3581e-05 1.3581e-05 1.4907e-03 1.4907e-03 7 -- 10 3/2 - --> 3/2 + 2.94582515e+01 E1 3.1864e-05 5.0982e-05 3.4975e-03 5.5958e-03 7 -- 11 3/2 - --> 5/2 + 4.57744281e+01 E1 5.7779e-03 1.4616e-03 6.3418e-01 1.6043e-01 7 -- 12 3/2 - --> 1/2 + 6.17703146e+01 E1 6.0970e-03 7.7006e-03 6.6922e-01 8.4523e-01 7 -- 13 3/2 - --> 3/2 + 6.55200354e+01 E1 1.4484e-02 1.4597e-02 1.5897e+00 1.6022e+00 7 -- 14 3/2 - --> 5/2 + 1.13543000e+02 E1 3.7539e-02 3.1364e-02 4.1204e+00 3.4425e+00 7 -- 15 3/2 - --> 3/2 + 1.36749287e+02 E1 2.0329e-02 2.4976e-02 2.2314e+00 2.7414e+00 7 -- 16 3/2 - --> 1/2 + 1.57746706e+02 E1 5.2966e-03 4.0535e-03 5.8136e-01 4.4492e-01 8 -- 9 1/2 - --> 3/2 - 7.14947019e+00 M1 6.8077e-06 6.8077e-06 7.4722e-04 7.4722e-04 8 -- 10 1/2 - --> 3/2 + 8.82609359e+00 E1 1.8233e-03 1.3188e-05 2.0013e-01 1.4475e-03 8 -- 12 1/2 - --> 1/2 + 4.11381567e+01 E1 6.2572e-05 3.6474e-04 6.8680e-03 4.0034e-02 8 -- 13 1/2 - --> 3/2 + 4.48878775e+01 E1 3.3986e-02 1.2154e-02 3.7303e+00 1.3340e+00 8 -- 15 1/2 - --> 3/2 + 1.16117129e+02 E1 3.7430e-02 2.9170e-02 4.1083e+00 3.2017e+00 8 -- 16 1/2 - --> 1/2 + 1.37114548e+02 E1 1.9535e-02 1.1033e-02 2.1442e+00 1.2110e+00 9 -- 10 3/2 - --> 3/2 + 1.67662340e+00 E1 4.9483e-04 3.5449e-05 5.4313e-02 3.8909e-03 9 -- 11 3/2 - --> 5/2 + 1.79928000e+01 E1 3.5526e-02 4.0028e-03 3.8994e+00 4.3935e-01 9 -- 12 3/2 - --> 1/2 + 3.39886865e+01 E1 9.1640e-06 3.3389e-04 1.0059e-03 3.6649e-02 9 -- 13 3/2 - --> 3/2 + 3.77384074e+01 E1 9.0771e-04 9.2222e-06 9.9631e-02 1.0122e-03 9 -- 14 3/2 - --> 5/2 + 8.57613723e+01 E1 7.2113e-02 4.0711e-02 7.9152e+00 4.4685e+00 9 -- 15 3/2 - --> 3/2 + 1.08967659e+02 E1 3.4268e-02 2.7399e-02 3.7613e+00 3.0073e+00 9 -- 16 3/2 - --> 1/2 + 1.29965077e+02 E1 3.2867e-02 1.6079e-02 3.6075e+00 1.7649e+00 10 -- 11 3/2 + --> 5/2 + 1.63161766e+01 M1 2.9009e-06 2.9009e-06 3.1840e-04 3.1840e-04 10 -- 12 3/2 + --> 1/2 + 3.23120631e+01 M1 6.9874e-05 6.9874e-05 7.6694e-03 7.6694e-03 10 -- 13 3/2 + --> 3/2 + 3.60617840e+01 M1 1.9183e-05 1.9183e-05 2.1055e-03 2.1055e-03 10 -- 14 3/2 + --> 5/2 + 8.40847489e+01 M1 6.6863e-05 6.6863e-05 7.3389e-03 7.3389e-03 10 -- 15 3/2 + --> 3/2 + 1.07291035e+02 M1 2.5770e-08 2.5770e-08 2.8285e-06 2.8285e-06 10 -- 16 3/2 + --> 1/2 + 1.28288454e+02 M1 1.1259e-05 1.1259e-05 1.2358e-03 1.2358e-03 11 -- 13 5/2 + --> 3/2 + 1.97456074e+01 M1 7.7124e-05 7.7124e-05 8.4652e-03 8.4652e-03 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1 4.6905e-06 4.6905e-06 5.1483e-04 5.1483e-04 11 -- 15 5/2 + --> 3/2 + 9.09748588e+01 M1 3.6148e-05 3.6148e-05 3.9676e-03 3.9676e-03 12 -- 13 1/2 + --> 3/2 + 3.74972081e+00 M1 6.0720e-06 6.0720e-06 6.6647e-04 6.6647e-04 12 -- 15 1/2 + --> 3/2 + 7.49789722e+01 M1 1.7556e-06 1.7556e-06 1.9270e-04 1.9270e-04 12 -- 16 1/2 + --> 1/2 + 9.59763909e+01 M1 2.8444e-05 2.8444e-05 3.1220e-03 3.1220e-03 13 -- 14 3/2 + --> 5/2 + 4.80229649e+01 M1 4.3040e-05 4.3040e-05 4.7241e-03 4.7241e-03 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1 2.1164e-05 2.1164e-05 2.3230e-03 2.3230e-03 13 -- 16 3/2 + --> 1/2 + 9.22266701e+01 M1 4.9623e-10 4.9623e-10 5.4467e-08 5.4467e-08 14 -- 15 5/2 + --> 3/2 + 2.32062865e+01 M1 9.4764e-05 9.4764e-05 1.0401e-02 1.0401e-02 15 -- 16 3/2 + --> 1/2 + 2.09974187e+01 M1 3.2935e-10 3.2935e-10 3.6150e-08 3.6150e-08 -------------------------------------------------------------------------------------------------------------------------- Photoexcitation cross sections for (completely) linearly-polarized plane-wave photons: ... not yet correct !! ------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles Cou -- cross section -- Bab [eV] [barn] [barn] ------------------------------------------------------------------------------------------------------- 1 -- 2 1/2 + --> 1/2 - 1.61081805e+01 E1 5.8861e-03 1.3066e-03 1 -- 3 1/2 + --> 3/2 - 2.96336903e+01 E1 9.5629e-02 2.6045e-02 1 -- 4 1/2 + --> 1/2 - 7.65871265e+01 E1 8.1464e-02 6.9322e-02 1 -- 6 1/2 + --> 1/2 + 1.10731005e+02 M1 2.0001e-06 2.0001e-06 1 -- 7 1/2 + --> 3/2 - 1.27236407e+02 E1 6.9144e-01 1.1352e+00 1 -- 8 1/2 + --> 1/2 - 1.47868565e+02 E1 1.2360e+00 2.4590e+00 1 -- 9 1/2 + --> 3/2 - 1.55018035e+02 E1 1.8279e+00 4.0183e+00 1 -- 10 1/2 + --> 3/2 + 1.56694658e+02 M1 2.5683e-04 2.5683e-04 1 -- 12 1/2 + --> 1/2 + 1.89006721e+02 M1 7.0127e-05 7.0127e-05 1 -- 13 1/2 + --> 3/2 + 1.92756442e+02 M1 3.9555e-05 3.9555e-05 1 -- 15 1/2 + --> 3/2 + 2.63985694e+02 M1 6.4990e-06 6.4990e-06 1 -- 16 1/2 + --> 1/2 + 2.84983112e+02 M1 2.6512e-07 2.6512e-07 2 -- 3 1/2 - --> 3/2 - 1.35255098e+01 M1 5.0525e-04 5.0525e-04 2 -- 4 1/2 - --> 1/2 - 6.04789460e+01 M1 2.8344e-07 2.8344e-07 2 -- 6 1/2 - --> 1/2 + 9.46228244e+01 E1 9.0643e-02 3.1639e-01 2 -- 7 1/2 - --> 3/2 - 1.11128226e+02 M1 1.1362e-03 1.1362e-03 2 -- 8 1/2 - --> 1/2 - 1.31760384e+02 M1 1.7784e-04 1.7784e-04 2 -- 9 1/2 - --> 3/2 - 1.38909854e+02 M1 2.7550e-04 2.7550e-04 2 -- 10 1/2 - --> 3/2 + 1.40586478e+02 E1 1.8656e+00 2.2589e+00 2 -- 12 1/2 - --> 1/2 + 1.72898541e+02 E1 1.6684e-01 1.4605e-01 2 -- 13 1/2 - --> 3/2 + 1.76648262e+02 E1 2.8757e-02 1.5995e-02 2 -- 15 1/2 - --> 3/2 + 2.47877513e+02 E1 2.3271e-03 7.1054e-03 2 -- 16 1/2 - --> 1/2 + 2.68874932e+02 E1 7.5231e-03 9.7838e-03 3 -- 4 3/2 - --> 1/2 - 4.69534362e+01 M1 1.9010e-05 1.9010e-05 3 -- 5 3/2 - --> 5/2 - 5.39131311e+01 M1 2.7993e-03 2.7993e-03 3 -- 6 3/2 - --> 1/2 + 8.10973146e+01 E1 1.7978e-01 8.5436e-01 3 -- 7 3/2 - --> 3/2 - 9.76027165e+01 M1 7.7834e-04 7.7834e-04 3 -- 8 3/2 - --> 1/2 - 1.18234874e+02 M1 1.2411e-03 1.2411e-03 3 -- 9 3/2 - --> 3/2 - 1.25384345e+02 M1 6.2012e-04 6.2012e-04 3 -- 10 3/2 - --> 3/2 + 1.27060968e+02 E1 2.1463e-01 2.8008e-01 3 -- 11 3/2 - --> 5/2 + 1.43377145e+02 E1 1.3921e+00 1.4277e+00 3 -- 12 3/2 - --> 1/2 + 1.59373031e+02 E1 5.5594e-02 2.1321e-02 3 -- 13 3/2 - --> 3/2 + 1.63122752e+02 E1 1.7657e-01 1.7044e-01 3 -- 14 3/2 - --> 5/2 + 2.11145717e+02 E1 1.1836e-02 4.9521e-02 3 -- 15 3/2 - --> 3/2 + 2.34352003e+02 E1 7.3984e-04 2.4779e-03 3 -- 16 3/2 - --> 1/2 + 2.55349422e+02 E1 4.0844e-02 2.3040e-02 4 -- 6 1/2 - --> 1/2 + 3.41438784e+01 E1 8.2529e-09 1.1956e-01 4 -- 7 1/2 - --> 3/2 - 5.06492803e+01 M1 7.8675e-04 7.8675e-04 4 -- 8 1/2 - --> 1/2 - 7.12814382e+01 M1 3.9576e-04 3.9576e-04 4 -- 9 1/2 - --> 3/2 - 7.84309084e+01 M1 2.7610e-04 2.7610e-04 4 -- 10 1/2 - --> 3/2 + 8.01075318e+01 E1 9.0611e-03 3.2831e-03 4 -- 12 1/2 - --> 1/2 + 1.12419595e+02 E1 9.8635e-01 1.1868e+00 4 -- 13 1/2 - --> 3/2 + 1.16169316e+02 E1 1.4936e+00 1.0481e+00 4 -- 15 1/2 - --> 3/2 + 1.87398567e+02 E1 6.8842e-02 1.4233e-01 4 -- 16 1/2 - --> 1/2 + 2.08395986e+02 E1 4.3866e-02 2.2892e-03 5 -- 7 5/2 - --> 3/2 - 4.36895855e+01 M1 4.1758e-03 4.1758e-03 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1 1.6095e-03 1.6095e-03 5 -- 10 5/2 - --> 3/2 + 7.31478369e+01 E1 2.5130e-01 3.8863e-01 5 -- 11 5/2 - --> 5/2 + 8.94640135e+01 E1 4.9099e-01 6.8945e-01 5 -- 13 5/2 - --> 3/2 + 1.09209621e+02 E1 1.0846e-03 1.4535e-03 5 -- 14 5/2 - --> 5/2 + 1.57232586e+02 E1 7.3244e-01 8.7794e-01 5 -- 15 5/2 - --> 3/2 + 1.80438872e+02 E1 4.0266e-02 4.7055e-02 6 -- 7 1/2 + --> 3/2 - 1.65054019e+01 E1 1.9935e-02 1.7681e-02 6 -- 8 1/2 + --> 1/2 - 3.71375598e+01 E1 1.4497e-02 1.5604e-01 6 -- 9 1/2 + --> 3/2 - 4.42870300e+01 E1 6.1568e-04 2.2521e-01 6 -- 10 1/2 + --> 3/2 + 4.59636534e+01 M1 1.5140e-03 1.5140e-03 6 -- 12 1/2 + --> 1/2 + 7.82757165e+01 M1 3.9118e-04 3.9118e-04 6 -- 13 1/2 + --> 3/2 + 8.20254373e+01 M1 9.7194e-04 9.7194e-04 6 -- 15 1/2 + --> 3/2 + 1.53254689e+02 M1 4.7271e-06 4.7271e-06 6 -- 16 1/2 + --> 1/2 + 1.74252107e+02 M1 1.2502e-04 1.2502e-04 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1 2.5868e-03 2.5868e-03 7 -- 9 3/2 - --> 3/2 - 2.77816281e+01 M1 3.6466e-04 3.6466e-04 7 -- 10 3/2 - --> 3/2 + 2.94582515e+01 E1 8.5554e-04 1.3688e-03 7 -- 11 3/2 - --> 5/2 + 4.57744281e+01 E1 1.5513e-01 3.9244e-02 7 -- 12 3/2 - --> 1/2 + 6.17703146e+01 E1 1.6370e-01 2.0676e-01 7 -- 13 3/2 - --> 3/2 + 6.55200354e+01 E1 3.8888e-01 3.9192e-01 7 -- 14 3/2 - --> 5/2 + 1.13543000e+02 E1 1.0079e+00 8.4210e-01 7 -- 15 3/2 - --> 3/2 + 1.36749287e+02 E1 5.4584e-01 6.7061e-01 7 -- 16 3/2 - --> 1/2 + 1.57746706e+02 E1 1.4221e-01 1.0884e-01 8 -- 9 1/2 - --> 3/2 - 7.14947019e+00 M1 3.6557e-04 3.6557e-04 8 -- 10 1/2 - --> 3/2 + 8.82609359e+00 E1 9.7910e-02 7.0817e-04 8 -- 12 1/2 - --> 1/2 + 4.11381567e+01 E1 3.3601e-03 1.9586e-02 8 -- 13 1/2 - --> 3/2 + 4.48878775e+01 E1 1.8250e+00 6.5263e-01 8 -- 15 1/2 - --> 3/2 + 1.16117129e+02 E1 2.0100e+00 1.5664e+00 8 -- 16 1/2 - --> 1/2 + 1.37114548e+02 E1 1.0490e+00 5.9245e-01 9 -- 10 3/2 - --> 3/2 + 1.67662340e+00 E1 1.3286e-02 9.5179e-04 9 -- 11 3/2 - --> 5/2 + 1.79928000e+01 E1 9.5386e-01 1.0747e-01 9 -- 12 3/2 - --> 1/2 + 3.39886865e+01 E1 2.4605e-04 8.9649e-03 9 -- 13 3/2 - --> 3/2 + 3.77384074e+01 E1 2.4372e-02 2.4761e-04 9 -- 14 3/2 - --> 5/2 + 8.57613723e+01 E1 1.9362e+00 1.0931e+00 9 -- 15 3/2 - --> 3/2 + 1.08967659e+02 E1 9.2008e-01 7.3565e-01 9 -- 16 3/2 - --> 1/2 + 1.29965077e+02 E1 8.8246e-01 4.3173e-01 10 -- 11 3/2 + --> 5/2 + 1.63161766e+01 M1 7.7887e-05 7.7887e-05 10 -- 12 3/2 + --> 1/2 + 3.23120631e+01 M1 1.8761e-03 1.8761e-03 10 -- 13 3/2 + --> 3/2 + 3.60617840e+01 M1 5.1505e-04 5.1505e-04 10 -- 14 3/2 + --> 5/2 + 8.40847489e+01 M1 1.7952e-03 1.7952e-03 10 -- 15 3/2 + --> 3/2 + 1.07291035e+02 M1 6.9190e-07 6.9190e-07 10 -- 16 3/2 + --> 1/2 + 1.28288454e+02 M1 3.0230e-04 3.0230e-04 11 -- 13 5/2 + --> 3/2 + 1.97456074e+01 M1 1.3805e-03 1.3805e-03 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1 8.3958e-05 8.3958e-05 11 -- 15 5/2 + --> 3/2 + 9.09748588e+01 M1 6.4703e-04 6.4703e-04 12 -- 13 1/2 + --> 3/2 + 3.74972081e+00 M1 3.2606e-04 3.2606e-04 12 -- 15 1/2 + --> 3/2 + 7.49789722e+01 M1 9.4275e-05 9.4275e-05 12 -- 16 1/2 + --> 1/2 + 9.59763909e+01 M1 1.5274e-03 1.5274e-03 13 -- 14 3/2 + --> 5/2 + 4.80229649e+01 M1 1.1556e-03 1.1556e-03 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1 5.6825e-04 5.6825e-04 13 -- 16 3/2 + --> 1/2 + 9.22266701e+01 M1 1.3324e-08 1.3324e-08 14 -- 15 5/2 + --> 3/2 + 2.32062865e+01 M1 1.6963e-03 1.6963e-03 15 -- 16 3/2 + --> 1/2 + 2.09974187e+01 M1 8.8429e-09 8.8429e-09 ------------------------------------------------------------------------------------------------------- Photoexcitation cross sections for incident plane-wave photons with given exp. Stokes parameters P1 = 0.0, P2 = 0.0, P3 = 0.0: ... not yet correct !! ------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles Cou -- Cross section -- Bab [eV] [barn] [barn] ------------------------------------------------------------------------------------------------------- 1 -- 2 1/2 + --> 1/2 - 1.61081805e+01 E1 -5.600570e+07 -5.600570e+07 1 -- 3 1/2 + --> 3/2 - 2.96336903e+01 E1 -5.600570e+07 -5.600570e+07 1 -- 4 1/2 + --> 1/2 - 7.65871265e+01 E1 -5.600570e+07 -5.600570e+07 1 -- 6 1/2 + --> 1/2 + 1.10731005e+02 M1 -5.600570e+07 -5.600570e+07 1 -- 7 1/2 + --> 3/2 - 1.27236407e+02 E1 -5.600570e+07 -5.600570e+07 1 -- 8 1/2 + --> 1/2 - 1.47868565e+02 E1 -5.600570e+07 -5.600570e+07 1 -- 9 1/2 + --> 3/2 - 1.55018035e+02 E1 -5.600570e+07 -5.600570e+07 1 -- 10 1/2 + --> 3/2 + 1.56694658e+02 M1 -5.600570e+07 -5.600570e+07 1 -- 12 1/2 + --> 1/2 + 1.89006721e+02 M1 -5.600570e+07 -5.600570e+07 1 -- 13 1/2 + --> 3/2 + 1.92756442e+02 M1 -5.600570e+07 -5.600570e+07 1 -- 15 1/2 + --> 3/2 + 2.63985694e+02 M1 -5.600570e+07 -5.600570e+07 1 -- 16 1/2 + --> 1/2 + 2.84983112e+02 M1 -5.600570e+07 -5.600570e+07 2 -- 3 1/2 - --> 3/2 - 1.35255098e+01 M1 -5.600570e+07 -5.600570e+07 2 -- 4 1/2 - --> 1/2 - 6.04789460e+01 M1 -5.600570e+07 -5.600570e+07 2 -- 6 1/2 - --> 1/2 + 9.46228244e+01 E1 -5.600570e+07 -5.600570e+07 2 -- 7 1/2 - --> 3/2 - 1.11128226e+02 M1 -5.600570e+07 -5.600570e+07 2 -- 8 1/2 - --> 1/2 - 1.31760384e+02 M1 -5.600570e+07 -5.600570e+07 2 -- 9 1/2 - --> 3/2 - 1.38909854e+02 M1 -5.600570e+07 -5.600570e+07 2 -- 10 1/2 - --> 3/2 + 1.40586478e+02 E1 -5.600570e+07 -5.600570e+07 2 -- 12 1/2 - --> 1/2 + 1.72898541e+02 E1 -5.600570e+07 -5.600570e+07 2 -- 13 1/2 - --> 3/2 + 1.76648262e+02 E1 -5.600570e+07 -5.600570e+07 2 -- 15 1/2 - --> 3/2 + 2.47877513e+02 E1 -5.600570e+07 -5.600570e+07 2 -- 16 1/2 - --> 1/2 + 2.68874932e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 4 3/2 - --> 1/2 - 4.69534362e+01 M1 -5.600570e+07 -5.600570e+07 3 -- 5 3/2 - --> 5/2 - 5.39131311e+01 M1 -5.600570e+07 -5.600570e+07 3 -- 6 3/2 - --> 1/2 + 8.10973146e+01 E1 -5.600570e+07 -5.600570e+07 3 -- 7 3/2 - --> 3/2 - 9.76027165e+01 M1 -5.600570e+07 -5.600570e+07 3 -- 8 3/2 - --> 1/2 - 1.18234874e+02 M1 -5.600570e+07 -5.600570e+07 3 -- 9 3/2 - --> 3/2 - 1.25384345e+02 M1 -5.600570e+07 -5.600570e+07 3 -- 10 3/2 - --> 3/2 + 1.27060968e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 11 3/2 - --> 5/2 + 1.43377145e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 12 3/2 - --> 1/2 + 1.59373031e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 13 3/2 - --> 3/2 + 1.63122752e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 14 3/2 - --> 5/2 + 2.11145717e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 15 3/2 - --> 3/2 + 2.34352003e+02 E1 -5.600570e+07 -5.600570e+07 3 -- 16 3/2 - --> 1/2 + 2.55349422e+02 E1 -5.600570e+07 -5.600570e+07 4 -- 6 1/2 - --> 1/2 + 3.41438784e+01 E1 -5.600570e+07 -5.600570e+07 4 -- 7 1/2 - --> 3/2 - 5.06492803e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 8 1/2 - --> 1/2 - 7.12814382e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 9 1/2 - --> 3/2 - 7.84309084e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 10 1/2 - --> 3/2 + 8.01075318e+01 E1 -5.600570e+07 -5.600570e+07 4 -- 12 1/2 - --> 1/2 + 1.12419595e+02 E1 -5.600570e+07 -5.600570e+07 4 -- 13 1/2 - --> 3/2 + 1.16169316e+02 E1 -5.600570e+07 -5.600570e+07 4 -- 15 1/2 - --> 3/2 + 1.87398567e+02 E1 -5.600570e+07 -5.600570e+07 4 -- 16 1/2 - --> 1/2 + 2.08395986e+02 E1 -5.600570e+07 -5.600570e+07 5 -- 7 5/2 - --> 3/2 - 4.36895855e+01 M1 -5.600570e+07 -5.600570e+07 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1 -5.600570e+07 -5.600570e+07 5 -- 10 5/2 - --> 3/2 + 7.31478369e+01 E1 -5.600570e+07 -5.600570e+07 5 -- 11 5/2 - --> 5/2 + 8.94640135e+01 E1 -5.600570e+07 -5.600570e+07 5 -- 13 5/2 - --> 3/2 + 1.09209621e+02 E1 -5.600570e+07 -5.600570e+07 5 -- 14 5/2 - --> 5/2 + 1.57232586e+02 E1 -5.600570e+07 -5.600570e+07 5 -- 15 5/2 - --> 3/2 + 1.80438872e+02 E1 -5.600570e+07 -5.600570e+07 6 -- 7 1/2 + --> 3/2 - 1.65054019e+01 E1 -5.600570e+07 -5.600570e+07 6 -- 8 1/2 + --> 1/2 - 3.71375598e+01 E1 -5.600570e+07 -5.600570e+07 6 -- 9 1/2 + --> 3/2 - 4.42870300e+01 E1 -5.600570e+07 -5.600570e+07 6 -- 10 1/2 + --> 3/2 + 4.59636534e+01 M1 -5.600570e+07 -5.600570e+07 6 -- 12 1/2 + --> 1/2 + 7.82757165e+01 M1 -5.600570e+07 -5.600570e+07 6 -- 13 1/2 + --> 3/2 + 8.20254373e+01 M1 -5.600570e+07 -5.600570e+07 6 -- 15 1/2 + --> 3/2 + 1.53254689e+02 M1 -5.600570e+07 -5.600570e+07 6 -- 16 1/2 + --> 1/2 + 1.74252107e+02 M1 -5.600570e+07 -5.600570e+07 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1 -5.600570e+07 -5.600570e+07 7 -- 9 3/2 - --> 3/2 - 2.77816281e+01 M1 -5.600570e+07 -5.600570e+07 7 -- 10 3/2 - --> 3/2 + 2.94582515e+01 E1 -5.600570e+07 -5.600570e+07 7 -- 11 3/2 - --> 5/2 + 4.57744281e+01 E1 -5.600570e+07 -5.600570e+07 7 -- 12 3/2 - --> 1/2 + 6.17703146e+01 E1 -5.600570e+07 -5.600570e+07 7 -- 13 3/2 - --> 3/2 + 6.55200354e+01 E1 -5.600570e+07 -5.600570e+07 7 -- 14 3/2 - --> 5/2 + 1.13543000e+02 E1 -5.600570e+07 -5.600570e+07 7 -- 15 3/2 - --> 3/2 + 1.36749287e+02 E1 -5.600570e+07 -5.600570e+07 7 -- 16 3/2 - --> 1/2 + 1.57746706e+02 E1 -5.600570e+07 -5.600570e+07 8 -- 9 1/2 - --> 3/2 - 7.14947019e+00 M1 -5.600570e+07 -5.600570e+07 8 -- 10 1/2 - --> 3/2 + 8.82609359e+00 E1 -5.600570e+07 -5.600570e+07 8 -- 12 1/2 - --> 1/2 + 4.11381567e+01 E1 -5.600570e+07 -5.600570e+07 8 -- 13 1/2 - --> 3/2 + 4.48878775e+01 E1 -5.600570e+07 -5.600570e+07 8 -- 15 1/2 - --> 3/2 + 1.16117129e+02 E1 -5.600570e+07 -5.600570e+07 8 -- 16 1/2 - --> 1/2 + 1.37114548e+02 E1 -5.600570e+07 -5.600570e+07 9 -- 10 3/2 - --> 3/2 + 1.67662340e+00 E1 -5.600570e+07 -5.600570e+07 9 -- 11 3/2 - --> 5/2 + 1.79928000e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 12 3/2 - --> 1/2 + 3.39886865e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 13 3/2 - --> 3/2 + 3.77384074e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 14 3/2 - --> 5/2 + 8.57613723e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 15 3/2 - --> 3/2 + 1.08967659e+02 E1 -5.600570e+07 -5.600570e+07 9 -- 16 3/2 - --> 1/2 + 1.29965077e+02 E1 -5.600570e+07 -5.600570e+07 10 -- 11 3/2 + --> 5/2 + 1.63161766e+01 M1 -5.600570e+07 -5.600570e+07 10 -- 12 3/2 + --> 1/2 + 3.23120631e+01 M1 -5.600570e+07 -5.600570e+07 10 -- 13 3/2 + --> 3/2 + 3.60617840e+01 M1 -5.600570e+07 -5.600570e+07 10 -- 14 3/2 + --> 5/2 + 8.40847489e+01 M1 -5.600570e+07 -5.600570e+07 10 -- 15 3/2 + --> 3/2 + 1.07291035e+02 M1 -5.600570e+07 -5.600570e+07 10 -- 16 3/2 + --> 1/2 + 1.28288454e+02 M1 -5.600570e+07 -5.600570e+07 11 -- 13 5/2 + --> 3/2 + 1.97456074e+01 M1 -5.600570e+07 -5.600570e+07 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1 -5.600570e+07 -5.600570e+07 11 -- 15 5/2 + --> 3/2 + 9.09748588e+01 M1 -5.600570e+07 -5.600570e+07 12 -- 13 1/2 + --> 3/2 + 3.74972081e+00 M1 -5.600570e+07 -5.600570e+07 12 -- 15 1/2 + --> 3/2 + 7.49789722e+01 M1 -5.600570e+07 -5.600570e+07 12 -- 16 1/2 + --> 1/2 + 9.59763909e+01 M1 -5.600570e+07 -5.600570e+07 13 -- 14 3/2 + --> 5/2 + 4.80229649e+01 M1 -5.600570e+07 -5.600570e+07 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1 -5.600570e+07 -5.600570e+07 13 -- 16 3/2 + --> 1/2 + 9.22266701e+01 M1 -5.600570e+07 -5.600570e+07 14 -- 15 5/2 + --> 3/2 + 2.32062865e+01 M1 -5.600570e+07 -5.600570e+07 15 -- 16 3/2 + --> 1/2 + 2.09974187e+01 M1 -5.600570e+07 -5.600570e+07 ------------------------------------------------------------------------------------------------------- Statistical tensors rho_kq and alignment parameters A_kq for the excitation by incident plane-wave photons with given exp. Stokes parameters P1 = 0.0, P2 = 0.0, P3 = 0.0: ... not yet correct !! ------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Multipoles k q Cou -- rho_kq -- Bab Cou -- A_kq -- Bab [eV] ------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 2 1/2 + --> 1/2 - 1.61081805e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 3 1/2 + --> 3/2 - 2.96336903e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 4 1/2 + --> 1/2 - 7.65871265e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 6 1/2 + --> 1/2 + 1.10731005e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 7 1/2 + --> 3/2 - 1.27236407e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 8 1/2 + --> 1/2 - 1.47868565e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 9 1/2 + --> 3/2 - 1.55018035e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 10 1/2 + --> 3/2 + 1.56694658e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 12 1/2 + --> 1/2 + 1.89006721e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 13 1/2 + --> 3/2 + 1.92756442e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 15 1/2 + --> 3/2 + 2.63985694e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 1 -- 16 1/2 + --> 1/2 + 2.84983112e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 3 1/2 - --> 3/2 - 1.35255098e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 4 1/2 - --> 1/2 - 6.04789460e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 6 1/2 - --> 1/2 + 9.46228244e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 7 1/2 - --> 3/2 - 1.11128226e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 8 1/2 - --> 1/2 - 1.31760384e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 9 1/2 - --> 3/2 - 1.38909854e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 10 1/2 - --> 3/2 + 1.40586478e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 12 1/2 - --> 1/2 + 1.72898541e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 13 1/2 - --> 3/2 + 1.76648262e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 15 1/2 - --> 3/2 + 2.47877513e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 -- 16 1/2 - --> 1/2 + 2.68874932e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 4 3/2 - --> 1/2 - 4.69534362e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 5 3/2 - --> 5/2 - 5.39131311e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 6 3/2 - --> 1/2 + 8.10973146e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 7 3/2 - --> 3/2 - 9.76027165e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 8 3/2 - --> 1/2 - 1.18234874e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 9 3/2 - --> 3/2 - 1.25384345e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 10 3/2 - --> 3/2 + 1.27060968e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 11 3/2 - --> 5/2 + 1.43377145e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 12 3/2 - --> 1/2 + 1.59373031e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 13 3/2 - --> 3/2 + 1.63122752e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 14 3/2 - --> 5/2 + 2.11145717e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 15 3/2 - --> 3/2 + 2.34352003e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 3 -- 16 3/2 - --> 1/2 + 2.55349422e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 6 1/2 - --> 1/2 + 3.41438784e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 7 1/2 - --> 3/2 - 5.06492803e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 8 1/2 - --> 1/2 - 7.12814382e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 9 1/2 - --> 3/2 - 7.84309084e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 10 1/2 - --> 3/2 + 8.01075318e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 12 1/2 - --> 1/2 + 1.12419595e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 13 1/2 - --> 3/2 + 1.16169316e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 15 1/2 - --> 3/2 + 1.87398567e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 4 -- 16 1/2 - --> 1/2 + 2.08395986e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 7 5/2 - --> 3/2 - 4.36895855e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 10 5/2 - --> 3/2 + 7.31478369e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 11 5/2 - --> 5/2 + 8.94640135e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 13 5/2 - --> 3/2 + 1.09209621e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 14 5/2 - --> 5/2 + 1.57232586e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 5 -- 15 5/2 - --> 3/2 + 1.80438872e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 7 1/2 + --> 3/2 - 1.65054019e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 8 1/2 + --> 1/2 - 3.71375598e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 9 1/2 + --> 3/2 - 4.42870300e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 10 1/2 + --> 3/2 + 4.59636534e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 12 1/2 + --> 1/2 + 7.82757165e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 13 1/2 + --> 3/2 + 8.20254373e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 15 1/2 + --> 3/2 + 1.53254689e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 6 -- 16 1/2 + --> 1/2 + 1.74252107e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 9 3/2 - --> 3/2 - 2.77816281e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 10 3/2 - --> 3/2 + 2.94582515e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 11 3/2 - --> 5/2 + 4.57744281e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 12 3/2 - --> 1/2 + 6.17703146e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 13 3/2 - --> 3/2 + 6.55200354e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 14 3/2 - --> 5/2 + 1.13543000e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 15 3/2 - --> 3/2 + 1.36749287e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 7 -- 16 3/2 - --> 1/2 + 1.57746706e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 9 1/2 - --> 3/2 - 7.14947019e+00 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 10 1/2 - --> 3/2 + 8.82609359e+00 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 12 1/2 - --> 1/2 + 4.11381567e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 13 1/2 - --> 3/2 + 4.48878775e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 15 1/2 - --> 3/2 + 1.16117129e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 8 -- 16 1/2 - --> 1/2 + 1.37114548e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 10 3/2 - --> 3/2 + 1.67662340e+00 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 11 3/2 - --> 5/2 + 1.79928000e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 12 3/2 - --> 1/2 + 3.39886865e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 13 3/2 - --> 3/2 + 3.77384074e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 14 3/2 - --> 5/2 + 8.57613723e+01 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 15 3/2 - --> 3/2 + 1.08967659e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 9 -- 16 3/2 - --> 1/2 + 1.29965077e+02 E1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 11 3/2 + --> 5/2 + 1.63161766e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 12 3/2 + --> 1/2 + 3.23120631e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 13 3/2 + --> 3/2 + 3.60617840e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 14 3/2 + --> 5/2 + 8.40847489e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 15 3/2 + --> 3/2 + 1.07291035e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 10 -- 16 3/2 + --> 1/2 + 1.28288454e+02 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 11 -- 13 5/2 + --> 3/2 + 1.97456074e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 11 -- 15 5/2 + --> 3/2 + 9.09748588e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 12 -- 13 1/2 + --> 3/2 + 3.74972081e+00 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 12 -- 15 1/2 + --> 3/2 + 7.49789722e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 12 -- 16 1/2 + --> 1/2 + 9.59763909e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 13 -- 14 3/2 + --> 5/2 + 4.80229649e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 13 -- 16 3/2 + --> 1/2 + 9.22266701e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 14 -- 15 5/2 + --> 3/2 + 2.32062865e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 15 -- 16 3/2 + --> 1/2 + 2.09974187e+01 M1 2 -2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 2 2 -3.000000e+00 -3.000000e+00 1.000000e+00 1.000000e+00 ------------------------------------------------------------------------------------------------------------------------------------------------- Reduced density matrix of the fluorescence photons at selected solid angles for the prior excitation by incident plane-wave photons with given exp. Stokes parameters P1 = 0.0, P2 = 0.0, P3 = 0.0: Not yet implemented !! testModule_PhotoExcitation():: [OK] Test the module PhotoIonization ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572764e+02 -6.59583512e+02 +1.62949322e-05 2 2s_1/2 -1.65624847e+02 -1.65626275e+02 +8.62334519e-06 3 3s_1/2 -7.32843556e+01 -7.32847802e+01 +5.79409593e-06 4 4s_1/2 -4.10853272e+01 -4.10855060e+01 +4.35352564e-06 5 5s_1/2 -2.62328733e+01 -2.62329647e+01 +3.48433333e-06 6 6s_1/2 -1.81861022e+01 -1.81861550e+01 +2.90365538e-06 7 7s_1/2 -1.33439380e+01 -1.33439712e+01 +2.48854025e-06 : : 115 115s_1/2 +1.06760946e+08 -4.90278617e-02 +1.00000000e+00 116 116s_1/2 +2.82217379e+08 -4.81859467e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626256e+02 -1.65626275e+02 +1.15766243e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20935180e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29322806e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97487782e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04125087e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35251239e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82591794e-08 : : 115 116p_1/2 +1.30625448e+08 -4.81859467e-02 +1.00000000e+00 116 117p_1/2 +6.75242997e+08 -4.73655333e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704858e+02 -1.62704858e+02 +8.05810884e-13 2 3p_3/2 -7.24179626e+01 -7.24179626e+01 -2.57262561e-13 3 4p_3/2 -4.07203638e+01 -4.07203638e+01 -6.75288757e-13 4 5p_3/2 -2.60463105e+01 -2.60463105e+01 -3.60286648e-12 5 6p_3/2 -1.80782839e+01 -1.80782839e+01 -1.59965899e-12 6 7p_3/2 -1.32761162e+01 -1.32761162e+01 -1.52345752e-12 7 8p_3/2 -1.01607532e+01 -1.01607532e+01 -2.77080636e-12 : : 115 116p_3/2 +1.74860823e+08 -4.81711616e-02 +1.00000000e+00 116 117p_3/2 +6.75730993e+08 -4.73511241e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -5.5937618e+02; self-cons'cy = 8.2199e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1068188e+02; self-cons'cy = 1.9885e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0479775e+02; self-cons'cy = 2.2494e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0357197e+02; self-cons'cy = 2.2207e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -5.6711218e+02; self-cons'cy = 6.8674e-03 [1.8850e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1301928e+02; self-cons'cy = 1.0449e-02 [1.8850e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0705334e+02; self-cons'cy = 1.0647e-02 [1.5086e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0490813e+02; self-cons'cy = 6.4090e-03 [8.7842e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -5.6647744e+02; self-cons'cy = 5.5994e-04 [1.5905e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1281921e+02; self-cons'cy = 8.8593e-04 [1.5905e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0688129e+02; self-cons'cy = 8.0422e-04 [1.1653e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0482527e+02; self-cons'cy = 3.9507e-04 [5.5939e-04 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -5.6652257e+02; self-cons'cy = 3.9835e-05 [1.1291e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1283338e+02; self-cons'cy = 6.2794e-05 [1.1291e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0689248e+02; self-cons'cy = 5.2341e-05 [7.5686e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0483007e+02; self-cons'cy = 2.2872e-05 [3.2320e-05 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -5.6651963e+02; self-cons'cy = 2.5994e-06 [7.3523e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1283245e+02; self-cons'cy = 4.0837e-06 [7.3523e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0689179e+02; self-cons'cy = 3.2176e-06 [4.6514e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0482979e+02; self-cons'cy = 1.3045e-06 [1.8425e-06 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -5.6651981e+02; self-cons'cy = 1.6080e-07 [4.5447e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1283251e+02; self-cons'cy = 2.5191e-07 [4.5447e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0689183e+02; self-cons'cy = 1.9088e-07 [2.7596e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0482981e+02; self-cons'cy = 7.3538e-08 [1.0371e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -2.326453565556786e+03 -6.330602602997108e+04 -6.330602602997108e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^1 2p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^1 2p_1/2^2 2p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572764e+02 -6.59583512e+02 +1.62949322e-05 2 2s_1/2 -1.65624847e+02 -1.65626275e+02 +8.62334519e-06 3 3s_1/2 -7.32843556e+01 -7.32847802e+01 +5.79409593e-06 4 4s_1/2 -4.10853272e+01 -4.10855060e+01 +4.35352564e-06 5 5s_1/2 -2.62328733e+01 -2.62329647e+01 +3.48433333e-06 6 6s_1/2 -1.81861022e+01 -1.81861550e+01 +2.90365538e-06 7 7s_1/2 -1.33439380e+01 -1.33439712e+01 +2.48854025e-06 : : 115 115s_1/2 +1.06760946e+08 -4.90278617e-02 +1.00000000e+00 116 116s_1/2 +2.82217379e+08 -4.81859467e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626256e+02 -1.65626275e+02 +1.15766243e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20935180e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29322806e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97487782e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04125087e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35251239e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82591794e-08 : : 115 116p_1/2 +1.30625448e+08 -4.81859467e-02 +1.00000000e+00 116 117p_1/2 +6.75242997e+08 -4.73655333e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704858e+02 -1.62704858e+02 +8.05810884e-13 2 3p_3/2 -7.24179626e+01 -7.24179626e+01 -2.57262561e-13 3 4p_3/2 -4.07203638e+01 -4.07203638e+01 -6.75288757e-13 4 5p_3/2 -2.60463105e+01 -2.60463105e+01 -3.60286648e-12 5 6p_3/2 -1.80782839e+01 -1.80782839e+01 -1.59965899e-12 6 7p_3/2 -1.32761162e+01 -1.32761162e+01 -1.52345752e-12 7 8p_3/2 -1.01607532e+01 -1.01607532e+01 -2.77080636e-12 : : 115 116p_3/2 +1.74860823e+08 -4.81711616e-02 +1.00000000e+00 116 117p_3/2 +6.75730993e+08 -4.73511241e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -5.6789345e+02; self-cons'cy = 7.4690e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1602685e+02; self-cons'cy = 1.7610e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1058889e+02; self-cons'cy = 1.9926e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0915885e+02; self-cons'cy = 1.9696e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -5.7403577e+02; self-cons'cy = 5.3789e-03 [4.0347e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1788383e+02; self-cons'cy = 7.9389e-03 [4.0347e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1235424e+02; self-cons'cy = 7.9184e-03 [2.8505e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1017728e+02; self-cons'cy = 4.6432e-03 [1.5397e-02 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -5.7361167e+02; self-cons'cy = 3.6953e-04 [2.9019e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775168e+02; self-cons'cy = 5.6083e-04 [2.9019e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224389e+02; self-cons'cy = 4.9134e-04 [1.8328e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012691e+02; self-cons'cy = 2.2860e-04 [7.8775e-04 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -5.7363684e+02; self-cons'cy = 2.1941e-05 [1.7149e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775948e+02; self-cons'cy = 3.3110e-05 [1.7149e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224978e+02; self-cons'cy = 2.6261e-05 [9.7675e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012925e+02; self-cons'cy = 1.0597e-05 [3.6433e-05 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -5.7363548e+02; self-cons'cy = 1.1862e-06 [9.2349e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775906e+02; self-cons'cy = 1.7796e-06 [9.2349e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224949e+02; self-cons'cy = 1.3160e-06 [4.8921e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012914e+02; self-cons'cy = 4.8120e-07 [1.6533e-06 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -5.7363555e+02; self-cons'cy = 6.0346e-08 [4.6824e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775908e+02; self-cons'cy = 9.0093e-08 [4.6824e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224950e+02; self-cons'cy = 6.3217e-08 [2.3490e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012915e+02; self-cons'cy = 2.1479e-08 [7.3753e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 3/2 - -2.218891190360661e+03 -6.037910471728125e+04 -6.037910471728125e+04 2 1/2 - -2.216822151003409e+03 -6.032280328864048e+04 -6.032280328864048e+04 3 1/2 + -2.210106672582619e+03 -6.014006581302341e+04 -6.014006581302341e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 2.069039357252223e+00 5.630142864076291e+01 5.630142864076291e+01 3 1/2 + 6.715478420789168e+00 1.827374756170740e+02 1.827374756170740e+02 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 2.069039357252223e+00 5.630142864076291e+01 5.630142864076291e+01 3 1/2 + 8.784517778041391e+00 2.390389042578369e+02 2.390389042578369e+02 PhotoIonization.computeLines(): The computation of photo-ionization and properties starts now ... ------------------------------------------------------------------------------------------------- Selected photoionization lines: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy_fi omega Energy e_p List of multipoles, gauges, kappas and total symmetries [eV] [eV] [eV] partial (multipole, gauge, total J^P) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 0 + --> 3/2 - 2.9269e+03 3.0000e+03 7.3079e+01 d_5/2 (E1, Cou; 1 -), d_5/2 (E1, Bab; 1 -), s_1/2 (E1, Cou; 1 -), s_1/2 (E1, Bab; 1 -) d_3/2 (E1, Cou; 1 -), d_3/2 (E1, Bab; 1 -), p_3/2 (M1, Mag; 1 +), p_1/2 (M1, Mag; 1 +) f_5/2 (M1, Mag; 1 +) 1 -- 1 0 + --> 3/2 - 2.9269e+03 4.0000e+03 1.0731e+03 d_5/2 (E1, Cou; 1 -), d_5/2 (E1, Bab; 1 -), s_1/2 (E1, Cou; 1 -), s_1/2 (E1, Bab; 1 -) d_3/2 (E1, Cou; 1 -), d_3/2 (E1, Bab; 1 -), p_3/2 (M1, Mag; 1 +), p_1/2 (M1, Mag; 1 +) f_5/2 (M1, Mag; 1 +) 1 -- 2 0 + --> 1/2 - 2.9832e+03 3.0000e+03 1.6777e+01 s_1/2 (E1, Cou; 1 -), s_1/2 (E1, Bab; 1 -), d_3/2 (E1, Cou; 1 -), d_3/2 (E1, Bab; 1 -) p_3/2 (M1, Mag; 1 +), p_1/2 (M1, Mag; 1 +) 1 -- 2 0 + --> 1/2 - 2.9832e+03 4.0000e+03 1.0168e+03 s_1/2 (E1, Cou; 1 -), s_1/2 (E1, Bab; 1 -), d_3/2 (E1, Cou; 1 -), d_3/2 (E1, Bab; 1 -) p_3/2 (M1, Mag; 1 +), p_1/2 (M1, Mag; 1 +) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- A total of 30 channels need to be calculated. >> Calculate photoionization amplitudes and properties for line: 1 - 1 for the photon energy 3000.0 eV >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=8.3541e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21028361103270604, cPhase = -1.7535335575300308 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=8.3541e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21028361103270604, cPhase = -1.7535335575300308 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-4.5800e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6372191756293611, cPhase = 1.1736583208883227 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-4.5800e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6372191756293611, cPhase = 1.1736583208883227 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.1924e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21400809856563602, cPhase = -1.7433080925623112 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.1924e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21400809856563602, cPhase = -1.7433080925623112 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-2.2281e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.4330632693578616, cPhase = -0.3425331621630612 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-3.7203e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.4540934726344348, cPhase = -0.31150848739089754 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-2.4331e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.09040327387062883, cPhase = -3.07228781180842 (waC, waB) = (1.4772292154605084 + 6.248956055615466e-18im, 1.4877166931069565 + 3.7045630117680165e-18im) >> Calculate photoionization amplitudes and properties for line: 1 - 1 for the photon energy 4000.0 eV >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.5504e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.2051784420354024, cPhase = 2.9512924303252124 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.5504e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.2051784420354024, cPhase = 2.9512924303252124 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.8486e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6175352664074134, cPhase = -1.0483689148014181 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.8486e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6175352664074134, cPhase = -1.0483689148014181 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.8034e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.20917877727917383, cPhase = -3.3212523045266624 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.8034e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.20917877727917383, cPhase = -3.3212523045266624 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.0408e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.4085820938778319, cPhase = -2.3325653235148565 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.0972e-11]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.42951398323213125, cPhase = -2.3012351984724746 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.8756e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.09752698271994464, cPhase = 2.159494201913107 (waC, waB) = (1.4695830509308412 - 4.645875318933786e-18im, 1.475385114950263 - 3.19291478215119e-18im) >> Calculate photoionization amplitudes and properties for line: 1 - 2 for the photon energy 3000.0 eV >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-8.7666e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6394913832087026, cPhase = 2.5510407473379626 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-8.7666e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6394913832087026, cPhase = 2.5510407473379626 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-6.8477e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21540371088662652, cPhase = -0.49839442317077565 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-6.8477e-13]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21540371088662652, cPhase = -0.49839442317077565 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-1.3269e-14]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.4359530555851445, cPhase = 0.9903302231599316 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.0461e-12]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.4570047204323056, cPhase = 1.0213494791827 (waC, waB) = (1.4312064026701177 + 0.0im, 1.4468855323029233 - 2.797408010709086e-17im) >> Calculate photoionization amplitudes and properties for line: 1 - 2 for the photon energy 4000.0 eV >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.5000e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6194499623453956, cPhase = -1.1423747397961237 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.5000e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.6194499623453956, cPhase = -1.1423747397961237 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.8694e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21042406245281833, cPhase = -3.4354790486780944 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.8694e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.21042406245281833, cPhase = -3.4354790486780944 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.7704e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.41090542620409626, cPhase = -2.4344714489085013 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.9296e-10]. >> Radial potential with effective charge Zbar=2.7000e+01 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.43187697728006397, cPhase = -2.4031640335643254 (waC, waB) = (1.4402379438452448 + 0.0im, 1.4533958723583509 + 2.3882192307455732e-17im) Selected photoionization lines and phases: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy_fi omega Energy e_p List of multipoles, gauges, kappas and total symmetries [eV] [eV] [eV] partial (multipole, gauge, total J^P, phase) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 0 + --> 3/2 - 2.9269e+03 3.0000e+03 7.3079e+01 d_5/2 (E1, Cou; 1 -; -1.5432e+00), d_5/2 (E1, Bab; 1 -; -1.5432e+00) s_1/2 (E1, Cou; 1 -; 1.8109e+00), s_1/2 (E1, Bab; 1 -; 1.8109e+00), d_3/2 (E1, Cou; 1 -; -1.5293e+00) d_3/2 (E1, Bab; 1 -; -1.5293e+00), p_3/2 (M1, Mag; 1 +; 9.0530e-02) p_1/2 (M1, Mag; 1 +; 1.4258e-01), f_5/2 (M1, Mag; 1 +; -2.9819e+00) 1 -- 1 0 + --> 3/2 - 2.9269e+03 4.0000e+03 1.0731e+03 d_5/2 (E1, Cou; 1 -; 3.1565e+00), d_5/2 (E1, Bab; 1 -; 3.1565e+00), s_1/2 (E1, Cou; 1 -; -4.3083e-01) s_1/2 (E1, Bab; 1 -; -4.3083e-01), d_3/2 (E1, Cou; 1 -; -3.1121e+00) d_3/2 (E1, Bab; 1 -; -3.1121e+00), p_3/2 (M1, Mag; 1 +; -1.9240e+00) p_1/2 (M1, Mag; 1 +; -1.8717e+00), f_5/2 (M1, Mag; 1 +; 2.2570e+00) 1 -- 2 0 + --> 1/2 - 2.9832e+03 3.0000e+03 1.6777e+01 s_1/2 (E1, Cou; 1 -; 3.1905e+00), s_1/2 (E1, Bab; 1 -; 3.1905e+00), d_3/2 (E1, Cou; 1 -; -2.8299e-01) d_3/2 (E1, Bab; 1 -; -2.8299e-01), p_3/2 (M1, Mag; 1 +; 1.4263e+00) p_1/2 (M1, Mag; 1 +; 1.4784e+00) 1 -- 2 0 + --> 1/2 - 2.9832e+03 4.0000e+03 1.0168e+03 s_1/2 (E1, Cou; 1 -; -5.2292e-01), s_1/2 (E1, Bab; 1 -; -5.2292e-01) d_3/2 (E1, Cou; 1 -; -3.2251e+00), d_3/2 (E1, Bab; 1 -; -3.2251e+00) p_3/2 (M1, Mag; 1 +; -2.0236e+00), p_1/2 (M1, Mag; 1 +; -1.9713e+00) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- A total of 30 channels has been calculated. Total photoionization cross sections for initially unpolarized atoms by unpolarized plane-wave photons: ---------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f f--Energy--i omega Energy e_p Multipoles Cou -- Cross section -- Bab [eV] [eV] [eV] [barn] [barn] ---------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 0 + --> 3/2 - 2.926921e+03 3.000000e+03 7.307869e+01 E1, M1 7.838506e+04 7.555544e+04 1 -- 1 0 + --> 3/2 - 2.926921e+03 4.000000e+03 1.073079e+03 E1, M1 3.388894e+04 3.287357e+04 1 -- 2 0 + --> 1/2 - 2.983223e+03 3.000000e+03 1.677726e+01 E1, M1 4.184261e+04 4.002268e+04 1 -- 2 0 + --> 1/2 - 2.983223e+03 4.000000e+03 1.016777e+03 E1, M1 1.831381e+04 1.758001e+04 ---------------------------------------------------------------------------------------------------------------------------------- Angular beta-parameters in E1 approximation for unpolarized target atoms with Ji = 0, 1/2, 1: ------------------------------------------------------------------------------------------------------------------------ i-level-f i--J^P--f f--Energy--i omega Energy e_p Cou -- angular beta_2 -- Bab [eV] [eV] [eV] ------------------------------------------------------------------------------------------------------------------------ 1 -- 1 0 + --> 3/2 - 2.926921e+03 3.000000e+03 7.307869e+01 1.477229e+00 1.487717e+00 1 -- 1 0 + --> 3/2 - 2.926921e+03 4.000000e+03 1.073079e+03 1.469583e+00 1.475385e+00 1 -- 2 0 + --> 1/2 - 2.983223e+03 3.000000e+03 1.677726e+01 1.431206e+00 1.446886e+00 1 -- 2 0 + --> 1/2 - 2.983223e+03 4.000000e+03 1.016777e+03 1.440238e+00 1.453396e+00 ------------------------------------------------------------------------------------------------------------------------ testModule_PhotoIonization():: [OK] Test the module PhotoRecombination ... >>> include Configuration: 1s_1/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94660438e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49508834e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33208481e-07 4 4s_1/2 -4.50703162e+00 -4.50703270e+00 +2.39510488e-07 5 5s_1/2 -2.88264419e+00 -2.88376608e+00 +3.89188880e-04 6 6s_1/2 -1.92662024e+00 -2.00224317e+00 +3.92516040e-02 7 7s_1/2 -9.34171672e-01 -1.47082901e+00 +5.74474004e-01 : : 135 135s_1/2 +1.07032610e+08 -3.95084088e-03 +1.00000000e+00 136 136s_1/2 +2.82351245e+08 -3.89295227e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.1474422e+01; self-cons'cy = 7.9813e-02 [1.0000e+02 for sym-block kappa = -1] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.1704089e+01; self-cons'cy = 1.8645e-03 [8.0558e-03 for sym-block kappa = -1] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.1693752e+01; self-cons'cy = 8.3770e-05 [3.3363e-04 for sym-block kappa = -1] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.1694229e+01; self-cons'cy = 3.8657e-06 [1.5426e-05 for sym-block kappa = -1] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -6.1694207e+01; self-cons'cy = 1.7822e-07 [7.1116e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.368638873585516e+02 -3.724256071111345e+03 -3.724256071111345e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] >>> include Configuration: 1s_1/2^2 2s_1/2^1 >>> include Configuration: 1s_1/2^2 3s_1/2^1 >>> include Configuration: 1s_1/2^2 3p_1/2^0 3p_3/2^1 >>> include Configuration: 1s_1/2^2 3p_1/2^1 3p_3/2^0 >>> include Configuration: 1s_1/2^2 3d_3/2^0 3d_5/2^1 >>> include Configuration: 1s_1/2^2 3d_3/2^1 3d_5/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -7.21385092e+01 -7.21385593e+01 +6.94660438e-07 2 2s_1/2 -1.80433018e+01 -1.80433081e+01 +3.49508834e-07 3 3s_1/2 -8.01539068e+00 -8.01539255e+00 +2.33208481e-07 4 4s_1/2 -4.50703162e+00 -4.50703270e+00 +2.39510488e-07 5 5s_1/2 -2.88264419e+00 -2.88376608e+00 +3.89188880e-04 6 6s_1/2 -1.92662024e+00 -2.00224317e+00 +3.92516040e-02 7 7s_1/2 -9.34171672e-01 -1.47082901e+00 +5.74474004e-01 : : 135 135s_1/2 +1.07032610e+08 -3.95084088e-03 +1.00000000e+00 136 136s_1/2 +2.82351245e+08 -3.89295227e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.80433081e+01 -1.80433081e+01 +4.76194121e-10 2 3p_1/2 -8.01539254e+00 -8.01539255e+00 +3.76416069e-10 3 4p_1/2 -4.50703250e+00 -4.50703270e+00 +4.37531229e-08 4 5p_1/2 -2.88288886e+00 -2.88376608e+00 +3.04287375e-04 5 6p_1/2 -1.93600876e+00 -2.00224317e+00 +3.42118374e-02 6 7p_1/2 -9.73859945e-01 -1.47082901e+00 +5.10308561e-01 7 8p_1/2 +2.88781065e-01 -1.12597992e+00 +4.89907806e+00 : : 135 136p_1/2 +1.30925129e+08 -3.89295227e-03 +1.00000000e+00 136 137p_1/2 +6.75357908e+08 -3.83632670e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.80086350e+01 -1.80086350e+01 +1.70448489e-13 2 3p_3/2 -8.00511740e+00 -8.00511740e+00 +2.40986288e-13 3 4p_3/2 -4.50269837e+00 -4.50269857e+00 +4.44325931e-08 4 5p_3/2 -2.88065986e+00 -2.88154739e+00 +3.08100959e-04 5 6p_3/2 -1.93435905e+00 -2.00095940e+00 +3.44301871e-02 6 7p_3/2 -9.71732625e-01 -1.47002067e+00 +5.12783074e-01 7 8p_3/2 +2.91499617e-01 -1.12543844e+00 +4.86085736e+00 : : 135 136p_3/2 +1.75158918e+08 -3.89284215e-03 +1.00000000e+00 136 137p_3/2 +6.75846664e+08 -3.83621898e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_3/2 -8.00511740e+00 -8.00511740e+00 +2.64064165e-13 2 4d_3/2 -4.50269848e+00 -4.50269857e+00 +1.86369265e-08 3 5d_3/2 -2.88102423e+00 -2.88154739e+00 +1.81588065e-04 4 6d_3/2 -1.95076415e+00 -2.00095940e+00 +2.57310684e-02 5 7d_3/2 -1.04547073e+00 -1.47002067e+00 +4.06084963e-01 6 8d_3/2 +1.43705964e-01 -1.12543844e+00 +8.83153610e+00 7 9d_3/2 +1.61882578e+00 -8.89204706e-01 +1.54928993e+00 : : 135 137d_3/2 +2.08479605e+08 -3.83621898e-03 +1.00000000e+00 136 138d_3/2 +1.09948386e+09 -3.78082229e-03 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 3d_5/2 -8.00170477e+00 -8.00170477e+00 -1.10998649e-13 2 4d_5/2 -4.50125855e+00 -4.50125863e+00 +1.87770340e-08 3 5d_5/2 -2.88028486e+00 -2.88081013e+00 +1.82368130e-04 4 6d_5/2 -1.95024055e+00 -2.00053275e+00 +2.57876933e-02 5 7d_5/2 -1.04480979e+00 -1.46975200e+00 +4.06717295e-01 6 8d_5/2 +1.44558329e-01 -1.12525846e+00 +8.78411367e+00 7 9d_5/2 +1.61985938e+00 -8.89078304e-01 +1.54886141e+00 : : 135 137d_5/2 +2.56008681e+08 -3.83618315e-03 +1.00000000e+00 136 138d_5/2 +1.10017433e+09 -3.78078724e-03 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.0115198e+01; self-cons'cy = 9.0911e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.2930476e+01; self-cons'cy = 1.6507e-01 [1.0000e+02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.3698895e+00; self-cons'cy = 1.9764e-01 [1.0000e+02 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.1949502e+00; self-cons'cy = 2.1350e-01 [1.0000e+02 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.1924119e+00; self-cons'cy = 2.1312e-01 [1.0000e+02 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.0725029e+00; self-cons'cy = 2.2425e-01 [1.0000e+02 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.0843107e+00; self-cons'cy = 2.2294e-01 [1.0000e+02 for sym-block kappa = -3] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.0563671e+01; self-cons'cy = 3.7162e-03 [7.9184e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3054905e+01; self-cons'cy = 4.7885e-03 [7.9184e-02 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4424299e+00; self-cons'cy = 6.7091e-03 [7.9184e-02 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2587869e+00; self-cons'cy = 6.1066e-03 [7.1406e-02 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2523811e+00; self-cons'cy = 5.7415e-03 [6.4266e-02 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1134850e+00; self-cons'cy = 4.0234e-03 [1.4764e-01 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1117201e+00; self-cons'cy = 2.6882e-03 [9.9436e-02 for sym-block kappa = -3] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.0549131e+01; self-cons'cy = 1.2006e-04 [1.6264e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3052291e+01; self-cons'cy = 1.0013e-04 [1.6264e-03 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4414095e+00; self-cons'cy = 9.3761e-05 [1.6264e-03 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582575e+00; self-cons'cy = 5.0334e-05 [1.0521e-03 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518966e+00; self-cons'cy = 4.6124e-05 [9.2772e-04 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132005e+00; self-cons'cy = 2.7819e-05 [2.0036e-03 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115535e+00; self-cons'cy = 1.6290e-05 [1.1625e-03 for sym-block kappa = -3] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.0549744e+01; self-cons'cy = 5.0650e-06 [2.6180e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3052365e+01; self-cons'cy = 2.8329e-06 [2.6180e-05 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4414300e+00; self-cons'cy = 1.8835e-06 [2.6180e-05 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582573e+00; self-cons'cy = 1.9054e-08 [4.6808e-07 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518965e+00; self-cons'cy = 4.3810e-09 [2.5623e-07 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 7.8641e-08 [3.2626e-06 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 2.9598e-08 [7.9007e-07 for sym-block kappa = -3] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -6.0549715e+01; self-cons'cy = 2.3805e-07 [1.1715e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3052362e+01; self-cons'cy = 1.3092e-07 [1.1715e-06 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4414291e+00; self-cons'cy = 8.2877e-08 [1.1715e-06 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582574e+00; self-cons'cy = 6.3461e-09 [7.5595e-08 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518966e+00; self-cons'cy = 6.0759e-09 [7.4717e-08 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 2.1474e-09 [1.0864e-07 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 1.9294e-09 [1.0589e-07 for sym-block kappa = -3] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -6.0549717e+01; self-cons'cy = 1.1250e-08 [5.3870e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3052362e+01; self-cons'cy = 6.1442e-09 [5.3870e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4414291e+00; self-cons'cy = 3.8540e-09 [5.3870e-08 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582573e+00; self-cons'cy = 3.5856e-10 [5.1932e-09 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518966e+00; self-cons'cy = 3.4246e-10 [4.8236e-09 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 1.3656e-10 [8.0232e-09 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 1.1206e-10 [6.5110e-09 for sym-block kappa = -3] >>> Sign changed for orbital 3d_3/2 > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -1.503662060623664e+02 -4.091672877525915e+03 -4.091672877525915e+03 2 1/2 + -1.427004352046195e+02 -3.883076627574897e+03 -3.883076627574897e+03 3 1/2 - -1.425000505746678e+02 -3.877623884056808e+03 -3.877623884056808e+03 4 3/2 - -1.424942716309279e+02 -3.877466630987914e+03 -3.877466630987914e+03 5 3/2 + -1.424228199333369e+02 -3.875522331262980e+03 -3.875522331262980e+03 6 5/2 + -1.424211637558227e+02 -3.875477264377324e+03 -3.875477264377324e+03 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 + 7.665770857746907e+00 2.085962499510176e+02 2.085962499510176e+02 3 1/2 - 2.003846299516567e-01 5.452743518089386e+00 5.452743518089386e+00 4 3/2 - 5.778943739869646e-03 1.572530688934554e-01 1.572530688934554e-01 5 3/2 + 7.145169759107262e-02 1.944299724934981e+00 1.944299724934981e+00 6 5/2 + 1.656177514149704e-03 4.506688565517160e-02 4.506688565517160e-02 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 + 7.665770857746907e+00 2.085962499510176e+02 2.085962499510176e+02 3 1/2 - 7.866155487698563e+00 2.140489934691070e+02 2.140489934691070e+02 4 3/2 - 7.871934431438433e+00 2.142062465380004e+02 2.142062465380004e+02 5 3/2 + 7.943386129029506e+00 2.161505462629354e+02 2.161505462629354e+02 6 5/2 + 7.945042306543655e+00 2.161956131485906e+02 2.161956131485906e+02 PhotoRecombination.computeLines(): The computation of photo-recombination properties starts now ... --------------------------------------------------------------------------------------------------- Selected photorecombination lines: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy_if Energy e_r omega beta^2* List of multipoles, gauges, kappas and total symmetries [eV] [eV] [eV] gamma^2 partial (multipole, gauge, total J^P) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 0 + --> 1/2 + 3.6742e+02 1.0000e+01 3.7742e+02 3.91e-05 p_1/2 (E1, Cou; 1/2 -), p_3/2 (E1, Cou; 3/2 -), p_1/2 (E1, Bab; 1/2 -) p_3/2 (E1, Bab; 3/2 -), s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) 1 -- 2 0 + --> 1/2 + 1.5882e+02 1.0000e+01 1.6882e+02 3.91e-05 p_1/2 (E1, Cou; 1/2 -), p_3/2 (E1, Cou; 3/2 -), p_1/2 (E1, Bab; 1/2 -) p_3/2 (E1, Bab; 3/2 -), s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) 1 -- 3 0 + --> 1/2 - 1.5337e+02 1.0000e+01 1.6337e+02 3.91e-05 s_1/2 (E1, Cou; 1/2 +), d_3/2 (E1, Cou; 3/2 +), s_1/2 (E1, Bab; 1/2 +) d_3/2 (E1, Bab; 3/2 +), p_1/2 (M1, Mag; 1/2 -), p_3/2 (M1, Mag; 3/2 -) p_1/2 (M1, Mag; 1/2 -), p_3/2 (M1, Mag; 3/2 -) 1 -- 4 0 + --> 3/2 - 1.5321e+02 1.0000e+01 1.6321e+02 3.91e-05 s_1/2 (E1, Cou; 1/2 +), d_3/2 (E1, Cou; 3/2 +), s_1/2 (E1, Bab; 1/2 +) d_3/2 (E1, Bab; 3/2 +), p_1/2 (M1, Mag; 1/2 -), p_3/2 (M1, Mag; 3/2 -) p_1/2 (M1, Mag; 1/2 -), p_3/2 (M1, Mag; 3/2 -) 1 -- 5 0 + --> 3/2 + 1.5127e+02 1.0000e+01 1.6127e+02 3.91e-05 p_1/2 (E1, Cou; 1/2 -), p_3/2 (E1, Cou; 3/2 -), p_1/2 (E1, Bab; 1/2 -) p_3/2 (E1, Bab; 3/2 -), s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) s_1/2 (M1, Mag; 1/2 +), d_3/2 (M1, Mag; 3/2 +) 1 -- 6 0 + --> 5/2 + 1.5122e+02 1.0000e+01 1.6122e+02 3.91e-05 p_3/2 (E1, Cou; 3/2 -), p_3/2 (E1, Bab; 3/2 -), d_3/2 (M1, Mag; 3/2 +) d_3/2 (M1, Mag; 3/2 +) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=-5.2226e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.13867147255377502, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-1 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=3.9291e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.2713907342745274, cPhase = 1.0894850356822463 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.1344e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.1375328769064422, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=2.4543e-13]. >> Radial potential with effective charge Zbar=1.0000e+01 (Delta-Zbar=0.0000e+00) at r=6.5484e+00 a.u. >> Normalization with Coulomb functions: r = 4.611147932655431, iPhase = 0.048857804553426636, cPhase = -1.8009656799998717 Photorecombination cross sections: -------------------------------------------------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f i--Energy--f omega Energy e_r beta^2* Multipoles Cou -- Cross section -- Bab [eV] [eV] [eV] gamma^2 [barn] [barn] -------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 0 + --> 1/2 + 3.674168e+02 3.774168e+02 1.000000e+01 3.91e-05 E1, M1 1.735386e+03 1.720733e+03 1 -- 2 0 + --> 1/2 + 1.588206e+02 1.688206e+02 1.000000e+01 3.91e-05 E1, M1 5.500841e+02 5.639150e+02 1 -- 3 0 + --> 1/2 - 1.533678e+02 1.633678e+02 1.000000e+01 3.91e-05 E1, M1 5.889275e+02 5.799841e+02 1 -- 4 0 + --> 3/2 - 1.532106e+02 1.632106e+02 1.000000e+01 3.91e-05 E1, M1 9.470830e+01 9.739275e+01 1 -- 5 0 + --> 3/2 + 1.512663e+02 1.612663e+02 1.000000e+01 3.91e-05 E1, M1 1.037845e+01 1.209831e+01 1 -- 6 0 + --> 5/2 + 1.512212e+02 1.612212e+02 1.000000e+01 3.91e-05 E1, M1 1.027029e+01 1.200183e+01 -------------------------------------------------------------------------------------------------------------------------------------------------- testModule_PhotoRecombination():: [OK] Test the module AutoIonization ... >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572764e+02 -6.59583512e+02 +1.62951261e-05 2 2s_1/2 -1.65624847e+02 -1.65626275e+02 +8.62345488e-06 3 3s_1/2 -7.32843555e+01 -7.32847802e+01 +5.79417196e-06 4 4s_1/2 -4.10853271e+01 -4.10855060e+01 +4.35358428e-06 5 5s_1/2 -2.62328733e+01 -2.62329647e+01 +3.48438159e-06 6 6s_1/2 -1.81861022e+01 -1.81861550e+01 +2.90369578e-06 7 7s_1/2 -1.33439380e+01 -1.33439712e+01 +2.48857673e-06 : : 133 133s_1/2 +1.06764897e+08 -3.66521847e-02 +1.00000000e+00 134 134s_1/2 +2.82225127e+08 -3.61070376e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626256e+02 -1.65626275e+02 +1.15767213e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20944044e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29344300e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97504087e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04137610e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35279672e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82617049e-08 : : 133 134p_1/2 +1.30630577e+08 -3.61070376e-02 +1.00000000e+00 134 135p_1/2 +6.75262026e+08 -3.55739631e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704858e+02 -1.62704858e+02 +1.64987726e-12 2 3p_3/2 -7.24179626e+01 -7.24179626e+01 +1.24373006e-12 3 4p_3/2 -4.07203638e+01 -4.07203638e+01 +9.67913885e-13 4 5p_3/2 -2.60463105e+01 -2.60463105e+01 +9.14970408e-13 5 6p_3/2 -1.80782839e+01 -1.80782839e+01 -5.73833446e-14 6 7p_3/2 -1.32761162e+01 -1.32761162e+01 +1.64708959e-13 7 8p_3/2 -1.01607532e+01 -1.01607532e+01 -3.38811454e-13 : : 133 134p_3/2 +1.74866693e+08 -3.60974470e-02 +1.00000000e+00 134 135p_3/2 +6.75747487e+08 -3.55645841e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.1335232e+02; self-cons'cy = 3.6310e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3944862e+02; self-cons'cy = 8.5803e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3658004e+02; self-cons'cy = 9.6114e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3417583e+02; self-cons'cy = 9.6096e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.1480756e+02; self-cons'cy = 1.1849e-03 [4.0341e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3992841e+02; self-cons'cy = 1.7174e-03 [4.0341e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687987e+02; self-cons'cy = 1.0964e-03 [2.1636e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437449e+02; self-cons'cy = 7.3979e-04 [1.5469e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.1476490e+02; self-cons'cy = 3.4702e-05 [1.1522e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3991448e+02; self-cons'cy = 4.9789e-05 [1.1522e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687452e+02; self-cons'cy = 1.9531e-05 [3.8564e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437146e+02; self-cons'cy = 1.1285e-05 [2.3692e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.1476596e+02; self-cons'cy = 8.6578e-07 [2.8995e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3991483e+02; self-cons'cy = 1.2389e-06 [2.8995e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687460e+02; self-cons'cy = 3.0587e-07 [6.0051e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437151e+02; self-cons'cy = 1.6012e-07 [3.3289e-07 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -6.1476594e+02; self-cons'cy = 1.9631e-08 [6.6402e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3991482e+02; self-cons'cy = 2.8015e-08 [6.6402e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687460e+02; self-cons'cy = 4.3154e-09 [8.3779e-09 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437150e+02; self-cons'cy = 2.0354e-09 [4.1327e-09 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 - -1.731094151469083e+03 -4.710547119258957e+04 -4.710547119258957e+04 2 3/2 - -1.728766540929033e+03 -4.704213368368004e+04 -4.704213368368004e+04 3 1/2 + -1.257364931594811e+03 -3.421464252163730e+04 -3.421464252163730e+04 4 3/2 + -1.255614623717313e+03 -3.416701421832886e+04 -3.416701421832886e+04 5 5/2 + -1.255034461653397e+03 -3.415122720445346e+04 -3.415122720445346e+04 6 1/2 + -1.254492362016266e+03 -3.413647592196619e+04 -3.413647592196619e+04 7 3/2 + -1.254334448989505e+03 -3.413217888963741e+04 -3.413217888963741e+04 8 5/2 + -1.252648150625618e+03 -3.408629237391279e+04 -3.408629237391279e+04 9 3/2 + -1.251833479081960e+03 -3.406412403205881e+04 -3.406412403205881e+04 10 1/2 + -1.251327368725843e+03 -3.405035206778980e+04 -3.405035206778980e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 3/2 - 2.327610540050273e+00 6.333750890952864e+01 6.333750890952864e+01 3 1/2 + 4.714016093342216e+02 1.282749116204274e+04 1.282749116204274e+04 4 3/2 + 1.750307877498017e+00 4.762830330844540e+01 4.762830330844540e+01 5 5/2 + 5.801620639165321e-01 1.578701387539267e+01 1.578701387539267e+01 6 1/2 + 5.420996371308320e-01 1.475128248726899e+01 1.475128248726899e+01 7 3/2 + 1.579130267609798e-01 4.297032328779613e+00 4.297032328779613e+00 8 5/2 + 1.686298363887090e+00 4.588651572462604e+01 4.588651572462604e+01 9 3/2 + 8.146715436575960e-01 2.216834185397613e+01 2.216834185397613e+01 10 1/2 + 5.061103561167783e-01 1.377196426901332e+01 1.377196426901332e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 3/2 - 2.327610540050273e+00 6.333750890952864e+01 6.333750890952864e+01 3 1/2 + 4.737292198742718e+02 1.289082867095227e+04 1.289082867095227e+04 4 3/2 + 4.754795277517699e+02 1.293845697426071e+04 1.293845697426071e+04 5 5/2 + 4.760596898156864e+02 1.295424398813610e+04 1.295424398813610e+04 6 1/2 + 4.766017894528172e+02 1.296899527062337e+04 1.296899527062337e+04 7 3/2 + 4.767597024795782e+02 1.297329230295215e+04 1.297329230295215e+04 8 5/2 + 4.784460008434653e+02 1.301917881867678e+04 1.301917881867678e+04 9 3/2 + 4.792606723871229e+02 1.304134716053075e+04 1.304134716053075e+04 10 1/2 + 4.797667827432397e+02 1.305511912479977e+04 1.305511912479977e+04 >>> include Configuration: 1s_1/2^2 2s_1/2^2 >>> include Configuration: 1s_1/2^2 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^2 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -6.59572764e+02 -6.59583512e+02 +1.62951261e-05 2 2s_1/2 -1.65624847e+02 -1.65626275e+02 +8.62345488e-06 3 3s_1/2 -7.32843555e+01 -7.32847802e+01 +5.79417196e-06 4 4s_1/2 -4.10853271e+01 -4.10855060e+01 +4.35358428e-06 5 5s_1/2 -2.62328733e+01 -2.62329647e+01 +3.48438159e-06 6 6s_1/2 -1.81861022e+01 -1.81861550e+01 +2.90369578e-06 7 7s_1/2 -1.33439380e+01 -1.33439712e+01 +2.48857673e-06 : : 133 133s_1/2 +1.06764897e+08 -3.66521847e-02 +1.00000000e+00 134 134s_1/2 +2.82225127e+08 -3.61070376e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -1.65626256e+02 -1.65626275e+02 +1.15767213e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20944044e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29344300e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97504087e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04137610e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35279672e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82617049e-08 : : 133 134p_1/2 +1.30630577e+08 -3.61070376e-02 +1.00000000e+00 134 135p_1/2 +6.75262026e+08 -3.55739631e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -1.62704858e+02 -1.62704858e+02 +1.64987726e-12 2 3p_3/2 -7.24179626e+01 -7.24179626e+01 +1.24373006e-12 3 4p_3/2 -4.07203638e+01 -4.07203638e+01 +9.67913885e-13 4 5p_3/2 -2.60463105e+01 -2.60463105e+01 +9.14970408e-13 5 6p_3/2 -1.80782839e+01 -1.80782839e+01 -5.73833446e-14 6 7p_3/2 -1.32761162e+01 -1.32761162e+01 +1.64708959e-13 7 8p_3/2 -1.01607532e+01 -1.01607532e+01 -3.38811454e-13 : : 133 134p_3/2 +1.74866693e+08 -3.60974470e-02 +1.00000000e+00 134 135p_3/2 +6.75747487e+08 -3.55645841e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -6.0948099e+02; self-cons'cy = 3.9472e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4247717e+02; self-cons'cy = 7.5130e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3925130e+02; self-cons'cy = 8.6510e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3694840e+02; self-cons'cy = 8.5954e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -6.1067398e+02; self-cons'cy = 9.7774e-04 [2.4490e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4280829e+02; self-cons'cy = 1.1607e-03 [2.4490e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3962258e+02; self-cons'cy = 1.3313e-03 [2.6121e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3719798e+02; self-cons'cy = 9.1039e-04 [1.7147e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -6.1064761e+02; self-cons'cy = 2.1587e-05 [4.7130e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4280184e+02; self-cons'cy = 2.2578e-05 [4.7130e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3961595e+02; self-cons'cy = 2.3727e-05 [4.6111e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3719406e+02; self-cons'cy = 1.4303e-05 [2.7239e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -6.1064814e+02; self-cons'cy = 4.3341e-07 [8.5047e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4280196e+02; self-cons'cy = 4.0762e-07 [8.5047e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3961606e+02; self-cons'cy = 3.9248e-07 [7.6244e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3719412e+02; self-cons'cy = 2.2376e-07 [4.2618e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -1.593355089238804e+03 -4.335740040020865e+04 -4.335740040020865e+04 2 0 + -1.586788568399918e+03 -4.317871626685335e+04 -4.317871626685335e+04 3 1 + -1.584977483104542e+03 -4.312943412576573e+04 -4.312943412576573e+04 4 2 + -1.584554733496653e+03 -4.311793052299564e+04 -4.311793052299564e+04 5 2 + -1.582315474696957e+03 -4.305699718739844e+04 -4.305699718739844e+04 6 0 + -1.581063197341051e+03 -4.302292098486277e+04 -4.302292098486277e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 + 6.566520838885936e+00 1.786841333552994e+02 1.786841333552994e+02 3 1 + 1.811085295375960e+00 4.928214108762098e+01 4.928214108762098e+01 4 2 + 4.227496078897275e-01 1.150360277009101e+01 1.150360277009101e+01 5 2 + 2.239258799695790e+00 6.093333559720400e+01 6.093333559720400e+01 6 0 + 1.252277355906017e+00 3.407620253566355e+01 3.407620253566355e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 6.566520838885936e+00 1.786841333552994e+02 1.786841333552994e+02 3 1 + 8.377606134261896e+00 2.279662744429204e+02 2.279662744429204e+02 4 2 + 8.800355742151623e+00 2.394698772130114e+02 2.394698772130114e+02 5 2 + 1.103961454184741e+01 3.004032128102154e+02 3.004032128102154e+02 6 0 + 1.229189189775343e+01 3.344794153458790e+02 3.344794153458790e+02 AutoIonization.computeLines(): The computation of Auger rates and properties starts now ... ------------------------------------------------------------------------------------------- augerEnergyShift = 0.0 Selected Auger lines: ------------------------------------------------------------------------------------------------------------------------------------------------------ i-level-f i--J^P--f Energy Energy e_A List of kappas and total symmetries [eV] [eV] partial (total J^P) ------------------------------------------------------------------------------------------------------------------------------------------------------ 3 -- 1 1/2 + --> 0 + -3.42146425e+04 9.14275788e+03 s_1/2 (1/2 +) 4 -- 1 3/2 + --> 0 + -3.41670142e+04 9.19038618e+03 d_3/2 (3/2 +) 5 -- 1 5/2 + --> 0 + -3.41512272e+04 9.20617320e+03 6 -- 1 1/2 + --> 0 + -3.41364759e+04 9.22092448e+03 s_1/2 (1/2 +) ------------------------------------------------------------------------------------------------------------------------------------------------------ A total of 4 lines with 3 Auger channels will be compute. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.3599e+02, kappa=-1 [mpt=696, r[mtp]=6.5992e+00, smallest eigenvalue=3.6067e-06]. >> Radial potential with effective charge Zbar=3.2000e+01 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Normalization with Coulomb functions: r = 6.599182241036116, iPhase = 0.2351740156728607, cPhase = 0.31883897058521926 Compute (CoulombInteraction()) Auger matrix of dimension 3 x 3 in the continuum- and initial-state bases for the transition [3- ...] and for partial wave s_1/2 ... done. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.3774e+02, kappa=2 [mpt=696, r[mtp]=6.5992e+00, smallest eigenvalue=1.6428e-05]. >> Radial potential with effective charge Zbar=3.2000e+01 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Normalization with Coulomb functions: r = 6.599182241036116, iPhase = -0.12712945702957054, cPhase = -1.1649197479718505 Compute (CoulombInteraction()) Auger matrix of dimension 3 x 3 in the continuum- and initial-state bases for the transition [4- ...] and for partial wave d_3/2 ... done. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.3886e+02, kappa=-1 [mpt=696, r[mtp]=6.5992e+00, smallest eigenvalue=1.7855e-06]. >> Radial potential with effective charge Zbar=3.2000e+01 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Normalization with Coulomb functions: r = 6.599182241036116, iPhase = -0.13167918556273206, cPhase = 0.3201971803284853 Compute (CoulombInteraction()) Auger matrix of dimension 3 x 3 in the continuum- and initial-state bases for the transition [6- ...] and for partial wave s_1/2 ... done. Auger rates and intrinsic angular parameters: ---------------------------------------------------------------------------------------------------------- i-level-f i--J^P--f Energy Electron energy Auger rate alpha_2 [eV] [eV] [1/s] ---------------------------------------------------------------------------------------------------------- 3 -- 1 1/2 + --> 0 + -3.421464e+04 9.142758e+03 2.067172e+13 0.0000e+00 4 -- 1 3/2 + --> 0 + -3.416701e+04 9.190386e+03 6.732241e+12 -1.0000e+00 5 -- 1 5/2 + --> 0 + -3.415123e+04 9.206173e+03 0.000000e+00 NaN 6 -- 1 1/2 + --> 0 + -3.413648e+04 9.220924e+03 4.920058e+12 0.0000e+00 ---------------------------------------------------------------------------------------------------------- Auger lifetimes, total rates and widths: -------------------------------------------------------------------------------------------------------- Level J^P Lifetime Total rate Widths [sec] [1/s] Hartrees Kaysers eV -------------------------------------------------------------------------------------------------------- 3 1/2 + 4.837528e-14 2.067172e+13 5.000249e-04 1.097428e+02 1.360637e-02 4 3/2 + 1.485389e-13 6.732241e+12 1.628451e-04 3.574037e+01 4.431241e-03 5 5/2 + Inf 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6 1/2 + 2.032496e-13 4.920058e+12 1.190105e-04 2.611979e+01 3.238441e-03 -------------------------------------------------------------------------------------------------------- testModule_AutoIonization():: [OK] Test the module DielectronicRecombination ... >>> include Configuration: 1s_1/2^2 2s_1/2^1 >>> include Configuration: 1s_1/2^2 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2p_1/2^1 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095859e+02 -3.41097837e+02 +5.79978844e-06 2 2s_1/2 -8.54687031e+01 -8.54689584e+01 +2.98676246e-06 3 3s_1/2 -3.78993720e+01 -3.78994478e+01 +1.99932997e-06 4 4s_1/2 -2.12819065e+01 -2.12819385e+01 +1.50094729e-06 5 5s_1/2 -1.36039551e+01 -1.36039714e+01 +1.20104212e-06 6 6s_1/2 -9.43886377e+00 -9.43887322e+00 +1.00089018e-06 7 7s_1/2 -6.93005221e+00 -6.93005925e+00 +1.01492587e-06 : : 92 92s_1/2 +1.06858078e+08 -3.99494832e-02 +1.00000000e+00 93 93s_1/2 +2.82258729e+08 -3.90948102e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689566e+01 -8.54689584e+01 +2.03865603e-08 2 3p_1/2 -3.78994472e+01 -3.78994478e+01 +1.61656335e-08 3 4p_1/2 -2.12819382e+01 -2.12819385e+01 +1.27951067e-08 4 5p_1/2 -1.36039712e+01 -1.36039714e+01 +1.04822678e-08 5 6p_1/2 -9.43887313e+00 -9.43887322e+00 +8.84947969e-09 6 7p_1/2 -6.93005830e+00 -6.93005925e+00 +1.36549750e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644990e-04 : : 92 93p_1/2 +1.30731738e+08 -3.90948102e-02 +1.00000000e+00 93 94p_1/2 +6.75264619e+08 -3.82672736e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909743e+01 -8.46909743e+01 +1.28532170e-13 2 3p_3/2 -3.76687634e+01 -3.76687634e+01 +1.00143223e-12 3 4p_3/2 -2.11846929e+01 -2.11846929e+01 +4.59503260e-14 4 5p_3/2 -1.35542226e+01 -1.35542226e+01 -5.35231090e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.05582871e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38929202e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38472045e-04 : : 92 93p_3/2 +1.74965688e+08 -3.90871219e-02 +1.00000000e+00 93 94p_3/2 +6.75755740e+08 -3.82598282e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -3.1164967e+02; self-cons'cy = 4.5111e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2852917e+01; self-cons'cy = 7.9685e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.1089833e+01; self-cons'cy = 9.1845e-02 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.0491851e+01; self-cons'cy = 9.1499e-02 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -3.1224977e+02; self-cons'cy = 9.6185e-04 [3.2747e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.3001223e+01; self-cons'cy = 1.0168e-03 [3.2747e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.1211953e+01; self-cons'cy = 8.5817e-04 [2.5349e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.0587346e+01; self-cons'cy = 6.7689e-04 [2.0412e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.1223779e+02; self-cons'cy = 1.9176e-05 [4.5076e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2999131e+01; self-cons'cy = 1.4328e-05 [4.5076e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.1210901e+01; self-cons'cy = 7.3857e-06 [2.2545e-05 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.0586570e+01; self-cons'cy = 5.5029e-06 [1.7408e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.1223805e+02; self-cons'cy = 4.0109e-07 [7.3303e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2999166e+01; self-cons'cy = 2.4090e-07 [7.3303e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.1210909e+01; self-cons'cy = 5.7381e-08 [1.7603e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.0586575e+01; self-cons'cy = 4.1243e-08 [1.3147e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 1/2 + -7.410395746437503e+02 -2.016471392172769e+04 -2.016471392172769e+04 2 1/2 - -7.392505891614697e+02 -2.011603314718518e+04 -2.011603314718518e+04 3 3/2 - -7.386435657274587e+02 -2.009951519819912e+04 -2.009951519819912e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1/2 - 1.788985482280509e+00 4.868077454251080e+01 4.868077454251080e+01 3 3/2 - 6.070234340110119e-01 1.651794898605964e+01 1.651794898605964e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1/2 - 1.788985482280509e+00 4.868077454251080e+01 4.868077454251080e+01 3 3/2 - 2.396008916291521e+00 6.519872352857044e+01 6.519872352857044e+01 >>> include Configuration: 1s_1/2^2 2s_1/2^2 >>> include Configuration: 1s_1/2^2 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2s_1/2^1 2p_1/2^1 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095859e+02 -3.41097837e+02 +5.79978844e-06 2 2s_1/2 -8.54687031e+01 -8.54689584e+01 +2.98676246e-06 3 3s_1/2 -3.78993720e+01 -3.78994478e+01 +1.99932997e-06 4 4s_1/2 -2.12819065e+01 -2.12819385e+01 +1.50094729e-06 5 5s_1/2 -1.36039551e+01 -1.36039714e+01 +1.20104212e-06 6 6s_1/2 -9.43886377e+00 -9.43887322e+00 +1.00089018e-06 7 7s_1/2 -6.93005221e+00 -6.93005925e+00 +1.01492587e-06 : : 92 92s_1/2 +1.06858078e+08 -3.99494832e-02 +1.00000000e+00 93 93s_1/2 +2.82258729e+08 -3.90948102e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689566e+01 -8.54689584e+01 +2.03865603e-08 2 3p_1/2 -3.78994472e+01 -3.78994478e+01 +1.61656335e-08 3 4p_1/2 -2.12819382e+01 -2.12819385e+01 +1.27951067e-08 4 5p_1/2 -1.36039712e+01 -1.36039714e+01 +1.04822678e-08 5 6p_1/2 -9.43887313e+00 -9.43887322e+00 +8.84947969e-09 6 7p_1/2 -6.93005830e+00 -6.93005925e+00 +1.36549750e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644990e-04 : : 92 93p_1/2 +1.30731738e+08 -3.90948102e-02 +1.00000000e+00 93 94p_1/2 +6.75264619e+08 -3.82672736e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909743e+01 -8.46909743e+01 +1.28532170e-13 2 3p_3/2 -3.76687634e+01 -3.76687634e+01 +1.00143223e-12 3 4p_3/2 -2.11846929e+01 -2.11846929e+01 +4.59503260e-14 4 5p_3/2 -1.35542226e+01 -1.35542226e+01 -5.35231090e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.05582871e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38929202e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38472045e-04 : : 92 93p_3/2 +1.74965688e+08 -3.90871219e-02 +1.00000000e+00 93 94p_3/2 +6.75755740e+08 -3.82598282e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -3.0614510e+02; self-cons'cy = 5.4000e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9392534e+01; self-cons'cy = 1.0381e-01 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7403971e+01; self-cons'cy = 1.1817e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6840621e+01; self-cons'cy = 1.1780e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -3.0715893e+02; self-cons'cy = 1.6531e-03 [2.0047e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9669655e+01; self-cons'cy = 1.9928e-03 [2.0047e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7564721e+01; self-cons'cy = 1.1910e-03 [9.6935e-03 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6960747e+01; self-cons'cy = 8.9779e-04 [8.0234e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.0713224e+02; self-cons'cy = 4.3443e-05 [4.5471e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9663310e+01; self-cons'cy = 4.5541e-05 [4.5471e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7562705e+01; self-cons'cy = 1.4921e-05 [1.2541e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6959365e+01; self-cons'cy = 1.0319e-05 [9.5812e-05 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.0713290e+02; self-cons'cy = 1.0766e-06 [1.0084e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9663450e+01; self-cons'cy = 1.0073e-06 [1.0084e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7562726e+01; self-cons'cy = 1.5599e-07 [1.3007e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6959378e+01; self-cons'cy = 1.0050e-07 [9.2150e-07 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.0713289e+02; self-cons'cy = 2.6256e-08 [2.2650e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9663447e+01; self-cons'cy = 2.2649e-08 [2.2650e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7562726e+01; self-cons'cy = 1.1229e-09 [9.1591e-09 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6959378e+01; self-cons'cy = 5.6725e-10 [4.8966e-09 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 1^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 + -8.125023887148963e+02 -2.210931614149313e+04 -2.210931614149313e+04 2 0 - -8.111876942713130e+02 -2.207354148349044e+04 -2.207354148349044e+04 3 1 - -8.110371461622849e+02 -2.206944486078110e+04 -2.206944486078110e+04 4 2 - -8.106013225398848e+02 -2.205758549595533e+04 -2.205758549595533e+04 5 1 - -8.092730363082402e+02 -2.202144098656100e+04 -2.202144098656100e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 - 1.314694443583221e+00 3.577465800269214e+01 3.577465800269214e+01 3 1 - 1.505481090281364e-01 4.096622709345668e+00 4.096622709345668e+00 4 2 - 4.358236224001075e-01 1.185936482576404e+01 1.185936482576404e+01 5 1 - 1.328286231644597e+00 3.614450939433227e+01 3.614450939433227e+01 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 - 1.314694443583221e+00 3.577465800269214e+01 3.577465800269214e+01 3 1 - 1.465242552611357e+00 3.987128071203781e+01 3.987128071203781e+01 4 2 - 1.901066175011465e+00 5.173064553780185e+01 5.173064553780185e+01 5 1 - 3.229352406656062e+00 8.787515493213412e+01 8.787515493213412e+01 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 1s_1/2 -3.41095859e+02 -3.41097837e+02 +5.79978844e-06 2 2s_1/2 -8.54687031e+01 -8.54689584e+01 +2.98676246e-06 3 3s_1/2 -3.78993720e+01 -3.78994478e+01 +1.99932997e-06 4 4s_1/2 -2.12819065e+01 -2.12819385e+01 +1.50094729e-06 5 5s_1/2 -1.36039551e+01 -1.36039714e+01 +1.20104212e-06 6 6s_1/2 -9.43886377e+00 -9.43887322e+00 +1.00089018e-06 7 7s_1/2 -6.93005221e+00 -6.93005925e+00 +1.01492587e-06 : : 92 92s_1/2 +1.06858078e+08 -3.99494832e-02 +1.00000000e+00 93 93s_1/2 +2.82258729e+08 -3.90948102e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_1/2 -8.54689566e+01 -8.54689584e+01 +2.03865603e-08 2 3p_1/2 -3.78994472e+01 -3.78994478e+01 +1.61656335e-08 3 4p_1/2 -2.12819382e+01 -2.12819385e+01 +1.27951067e-08 4 5p_1/2 -1.36039712e+01 -1.36039714e+01 +1.04822678e-08 5 6p_1/2 -9.43887313e+00 -9.43887322e+00 +8.84947969e-09 6 7p_1/2 -6.93005830e+00 -6.93005925e+00 +1.36549750e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644990e-04 : : 92 93p_1/2 +1.30731738e+08 -3.90948102e-02 +1.00000000e+00 93 94p_1/2 +6.75264619e+08 -3.82672736e-02 +1.00000000e+00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Index Subshell Energies [a.u.] Dirac-E [a.u.] Delta-E / |E| ----------------------------------------------------------------------------- 1 2p_3/2 -8.46909743e+01 -8.46909743e+01 +1.28532170e-13 2 3p_3/2 -3.76687634e+01 -3.76687634e+01 +1.00143223e-12 3 4p_3/2 -2.11846929e+01 -2.11846929e+01 +4.59503260e-14 4 5p_3/2 -1.35542226e+01 -1.35542226e+01 -5.35231090e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.05582871e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38929202e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38472045e-04 : : 92 93p_3/2 +1.74965688e+08 -3.90871219e-02 +1.00000000e+00 93 94p_3/2 +6.75755740e+08 -3.82598282e-02 +1.00000000e+00 ----------------------------------------------------------------------------- settings.scField = JenaAtomicCalculator.Basics.DFSField(1.0) >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: Iteration 1 for symmetries ... 1s_1/2:: en [a.u.] = -3.1467386e+02; self-cons'cy = 4.0292e-02 [1.0000e+02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0691222e+01; self-cons'cy = 9.4630e-02 [1.0000e+02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9004471e+01; self-cons'cy = 1.0658e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8427326e+01; self-cons'cy = 1.0622e-01 [1.0000e+02 for sym-block kappa = -2] Iteration 2 for symmetries ... 1s_1/2:: en [a.u.] = -3.1559871e+02; self-cons'cy = 1.4674e-03 [1.7235e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0991753e+01; self-cons'cy = 2.1212e-03 [1.7235e-02 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9242829e+01; self-cons'cy = 1.7241e-03 [1.1360e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8586648e+01; self-cons'cy = 1.1628e-03 [8.2966e-03 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.1556948e+02; self-cons'cy = 4.6309e-05 [5.1733e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0982474e+01; self-cons'cy = 6.5359e-05 [5.1733e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9237064e+01; self-cons'cy = 4.1634e-05 [2.7361e-04 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8583307e+01; self-cons'cy = 2.4356e-05 [1.7500e-04 for sym-block kappa = -2] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.1557026e+02; self-cons'cy = 1.2440e-06 [1.3893e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0982720e+01; self-cons'cy = 1.7365e-06 [1.3893e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9237190e+01; self-cons'cy = 9.1280e-07 [5.9903e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8583375e+01; self-cons'cy = 4.9902e-07 [3.5771e-06 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.1557024e+02; self-cons'cy = 3.0370e-08 [3.3840e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0982714e+01; self-cons'cy = 4.2041e-08 [3.3840e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9237188e+01; self-cons'cy = 1.9159e-08 [1.2561e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8583374e+01; self-cons'cy = 1.0098e-08 [7.2260e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 6 x 6 for the symmetry 1^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 0^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 1^- ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 3^+ ... ... done. > Compute CI matrix of dimension 5 x 5 for the symmetry 2^+ ... ... done. Eigenenergies: Level J Parity Hartrees eV [eV] 1 0 - -5.698773548959698e+02 -1.550715268813077e+04 -1.550715268813077e+04 2 1 - -5.697458560314855e+02 -1.550357442176809e+04 -1.550357442176809e+04 3 1 + -5.694049761485674e+02 -1.549429860768756e+04 -1.549429860768756e+04 4 2 - -5.692259223037943e+02 -1.548942630439907e+04 -1.548942630439907e+04 5 2 + -5.691262676116988e+02 -1.548671456210376e+04 -1.548671456210376e+04 6 3 + -5.688422831398509e+02 -1.547898695101662e+04 -1.547898695101662e+04 7 1 - -5.685780721409724e+02 -1.547179740353541e+04 -1.547179740353541e+04 8 0 + -5.677000850868549e+02 -1.544790615888525e+04 -1.544790615888525e+04 9 1 + -5.675564790930416e+02 -1.544399844075281e+04 -1.544399844075281e+04 10 2 + -5.674694844829747e+02 -1.544163119683662e+04 -1.544163119683662e+04 11 1 + -5.673185067080059e+02 -1.543752288232151e+04 -1.543752288232151e+04 12 3 + -5.672835048414271e+02 -1.543657043301861e+04 -1.543657043301861e+04 13 2 + -5.670421390486526e+02 -1.543000253525940e+04 -1.543000253525940e+04 14 1 + -5.667113751566892e+02 -1.542100199131371e+04 -1.542100199131371e+04 15 0 + -5.666452407849565e+02 -1.541920238339530e+04 -1.541920238339530e+04 16 2 + -5.663420052856254e+02 -1.541095092516803e+04 -1.541095092516803e+04 17 1 + -5.661704700437516e+02 -1.540628321348537e+04 -1.540628321348537e+04 18 2 + -5.659058362130330e+02 -1.539908216016374e+04 -1.539908216016374e+04 19 1 + -5.654774770918428e+02 -1.538742591476184e+04 -1.538742591476184e+04 20 0 + -5.652847314895500e+02 -1.538218103977420e+04 -1.538218103977420e+04 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 1 - 1.314988644843424e-01 3.578266362675111e+00 3.578266362675111e+00 3 1 + 3.408798829181023e-01 9.275814080536886e+00 9.275814080536886e+00 4 2 - 1.790538447730796e-01 4.872303288485429e+00 4.872303288485429e+00 5 2 + 9.965469209544153e-02 2.711742295313302e+00 2.711742295313302e+00 6 3 + 2.839844718479299e-01 7.727611087139842e+00 7.727611087139842e+00 7 1 - 2.642109988785251e-01 7.189547481213332e+00 7.189547481213332e+00 8 0 + 8.779870541175114e-01 2.389124465015423e+01 2.389124465015423e+01 9 1 + 1.436059938132530e-01 3.907718132438159e+00 3.907718132438159e+00 10 2 + 8.699461006688125e-02 2.367243916189284e+00 2.367243916189284e+00 11 1 + 1.509777749688510e-01 4.108314515118098e+00 4.108314515118098e+00 12 3 + 3.500186657879567e-02 9.524493028961457e-01 9.524493028961457e-01 13 2 + 2.413657927744453e-01 6.567897759208757e+00 6.567897759208757e+00 14 1 + 3.307638919634428e-01 9.000543945694817e+00 9.000543945694817e+00 15 0 + 6.613437173268721e-02 1.799607918408328e+00 1.799607918408328e+00 16 2 + 3.032354993310946e-01 8.251458227265868e+00 8.251458227265868e+00 17 1 + 1.715352418738121e-01 4.667711682662368e+00 4.667711682662368e+00 18 2 + 2.646338307185943e-01 7.201053321635002e+00 7.201053321635002e+00 19 1 + 4.283591211901694e-01 1.165624540189366e+01 1.165624540189366e+01 20 0 + 1.927456022928027e-01 5.244874987646851e+00 5.244874987646851e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 1 - 1.314988644843424e-01 3.578266362675111e+00 3.578266362675111e+00 3 1 + 4.723787474024448e-01 1.285408044321200e+01 1.285408044321200e+01 4 2 - 6.514325921755244e-01 1.772638373169742e+01 1.772638373169742e+01 5 2 + 7.510872842709659e-01 2.043812602701073e+01 2.043812602701073e+01 6 3 + 1.035071756118896e+00 2.816573711415057e+01 2.816573711415057e+01 7 1 - 1.299282754997421e+00 3.535528459536390e+01 3.535528459536390e+01 8 0 + 2.177269809114932e+00 5.924652924551813e+01 5.924652924551813e+01 9 1 + 2.320875802928185e+00 6.315424737795630e+01 6.315424737795630e+01 10 2 + 2.407870412995067e+00 6.552149129414558e+01 6.552149129414558e+01 11 1 + 2.558848187963918e+00 6.962980580926367e+01 6.962980580926367e+01 12 3 + 2.593850054542713e+00 7.058225511215983e+01 7.058225511215983e+01 13 2 + 2.835215847317158e+00 7.715015287136858e+01 7.715015287136858e+01 14 1 + 3.165979739280601e+00 8.615069681706339e+01 8.615069681706339e+01 15 0 + 3.232114111013288e+00 8.795030473547172e+01 8.795030473547172e+01 16 2 + 3.535349610344383e+00 9.620176296273759e+01 9.620176296273759e+01 17 1 + 3.706884852218195e+00 1.008694746454000e+02 1.008694746454000e+02 18 2 + 3.971518682936789e+00 1.080705279670350e+02 1.080705279670350e+02 19 1 + 4.399877804126959e+00 1.197267733689286e+02 1.197267733689286e+02 20 0 + 4.592623406419762e+00 1.249716483565755e+02 1.249716483565755e+02 DielectronicRecombination.computePathways(): The computation of dielectronic resonance strength, etc. starts now ... ------------------------------------------------------------------------------------------------------- Check the energies and orbital representation: ---------------------------------------------- > Initial occupied subshells: Subshell[1s_1/2, 2s_1/2, 2p_1/2, 2p_3/2] > Intermediate occupied subshells: Subshell[1s_1/2, 2s_1/2, 2p_1/2, 2p_3/2] > Final occupied subshells: Subshell[1s_1/2, 2s_1/2, 2p_1/2, 2p_3/2] (NoCoreElectrons, intermediateShellList, finalShellList) = (3, Shell[1s, 2s, 2p], Shell[1s, 2s, 2p]) > An EmpiricalTreatment is defined with the following parameters: doEmpiricalCorrections: false doHydrogenicCorrections: false doMaximumlCorrection: false nCore: 2 nFinal: 2 nHydrogenic: 0 nLowestCaptured: 0 nUpperEmpirical: 0 maximum_l: 1000 hydrogenicEffectiveZ: 1.0 hydrogenicRateScaling: 1.0 empiricalEffectiveZ: 0.0 empiricalRateScaling: 1.0 resonanceEnergyMin: 0.0 resonanceEnergyMax: 1.0e8 length(intermediateMultiplet.levels) = 20 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=1.7116e+02, kappa=1 [mpt=409, r[mtp]=3.3323e+00, smallest eigenvalue=1.8806e-06]. >> Radial potential with effective charge Zbar=2.3000e+01 (Delta-Zbar=0.0000e+00) at r=7.0475e+00 a.u. >> Normalization with Coulomb functions: r = 3.3322734809719043, iPhase = 0.15908102055203038, cPhase = -0.605253916284153 Compute (CoulombInteraction()) Auger matrix of dimension 1 x 1 in the continuum- and initial-state bases for the transition [1- ...] and for partial wave p_1/2 ... done. >> pathway: 1--1--1 ... Partial (Auger) capture and radiative decay rates: ------------------------------------------------------------------------------------------------------------------------------------------------------ Levels J^P symmetries Energies [eV] Multipoles Rates [1/s] i -- m -- f i -- m -- f electron m--i photon (Auger) capture Cou--photon--Bab ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 -- 1 -- 3 1/2 + --> 0 - --> 1 - 4.6576e+03 4.6576e+03 6.5623e+03 M1 8.0439e+13 1.1666e+09 1.1666e+09 1 -- 1 -- 5 1/2 + --> 0 - --> 1 - 4.6576e+03 4.6576e+03 6.5143e+03 M1 8.0439e+13 2.7513e+08 2.7513e+08 ------------------------------------------------------------------------------------------------------------------------------------------------------ Partial resonance strength: -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Levels J^P symmetries Energies [eV] Multipoles S * Gamma_m [cm^2 eV^2] Width_m [eV] i -- m -- f i -- m -- f electron m--i photon Cou -- photon -- Bab Cou -- width -- Bab -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 -- 3 1/2 + --> 0 - --> 1 - 4.6576e+03 4.6576e+03 6.5623e+03 M1 1.6338e-26 1.6338e-26 5.2947e-02 5.2947e-02 1 -- 1 -- 5 1/2 + --> 0 - --> 1 - 4.6576e+03 4.6576e+03 6.5143e+03 M1 3.8530e-27 3.8530e-27 5.2947e-02 5.2947e-02 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Total Auger rates, radiative rates and resonance strengths: ---------------------------------------------------------------------------------------------------------------------------------------------------------------- i-level-m i--J^P--m Energy Auger rate Cou -- rad. rates -- Bab Cou -- res. strength -- Bab Widths Gamma_m [eV] [1/s] [1/s] [1/s] [cm^2 eV] [cm^2 eV] [eV] ---------------------------------------------------------------------------------------------------------------------------------------------------------------- 1 -- 1 1/2 + --> 0 - 4.6576e+03 8.0439e+13 1.4418e+09 1.4418e+09 3.8134e-25 3.8134e-25 5.2947e-02 (5.2947e-02) ---------------------------------------------------------------------------------------------------------------------------------------------------------------- testModule_DielectronicRecombination():: [OK] Test Summary: | Pass Total Time Name | 28 28 9m02.0s Testing JenaAtomicCalculator tests passed Testing completed after 592.7s PkgEval succeeded after 877.81s