Package evaluation of JenaAtomicCalculator on Julia 1.13.0-DEV.880 (5ebc5b463e*) started at 2025-07-23T05:11:31.712 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 10.94s ################################################################################ # Installation # Installing JenaAtomicCalculator... Resolving package versions... Installed Qt6Base_jll ────────────────── v6.8.2+1 Installed libaom_jll ─────────────────── v3.12.1+0 Installed Bzip2_jll ──────────────────── v1.0.9+0 Installed HarfBuzz_jll ───────────────── v8.5.1+0 Installed libass_jll ─────────────────── v0.15.2+0 Installed CommonWorldInvalidations ───── v1.0.0 Installed Libuuid_jll ────────────────── v2.41.0+0 Installed Libtiff_jll ────────────────── v4.7.1+0 Installed Cairo_jll ──────────────────── v1.18.5+0 Installed Xorg_libXinerama_jll ───────── v1.1.6+0 Installed libinput_jll ───────────────── v1.28.1+0 Installed Graphite2_jll ──────────────── v1.3.15+0 Installed OrderedCollections ─────────── v1.8.1 Installed PlotThemes ─────────────────── v3.3.0 Installed Malt ───────────────────────── v1.1.2 Installed GracefulPkg ────────────────── v2.2.1 Installed MIMEs ──────────────────────── v1.1.0 Installed Fontconfig_jll ─────────────── v2.16.0+0 Installed fzf_jll ────────────────────── v0.61.1+0 Installed Compiler ───────────────────── v0.1.1 Installed GaussQuadrature ────────────── v0.5.8 Installed NaNMath ────────────────────── v1.1.3 Installed QuadGK ─────────────────────── v2.11.2 Installed FileIO ─────────────────────── v1.17.0 Installed Revise ─────────────────────── v3.8.0 Installed OpenSpecFun_jll ────────────── v0.5.6+0 Installed Opus_jll ───────────────────── v1.5.2+0 Installed LoweredCodeUtils ───────────── v3.4.2 Installed Ogg_jll ────────────────────── v1.3.6+0 Installed Xorg_libxcb_jll ────────────── v1.17.1+0 Installed ScopedValues ───────────────── v1.4.0 Installed MsgPack ────────────────────── v1.2.1 Installed Tables ─────────────────────── v1.12.1 Installed GSL_jll ────────────────────── v2.8.1+0 Installed Unzip ──────────────────────── v0.2.0 Installed LZO_jll ────────────────────── v2.10.3+0 Installed Reexport ───────────────────── v1.2.2 Installed FFMPEG ─────────────────────── v0.4.2 Installed Xorg_xcb_util_wm_jll ───────── v0.4.2+0 Installed Preferences ────────────────── v1.4.3 Installed BandedMatrices ─────────────── v1.9.4 Installed Static ─────────────────────── v1.2.0 Installed LERC_jll ───────────────────── v4.0.1+0 Installed Missings ───────────────────── v1.2.0 Installed HypertextLiteral ───────────── v0.9.5 Installed TableTraits ────────────────── v1.0.1 Installed LLVMOpenMP_jll ─────────────── v18.1.8+0 Installed RegistryInstances ──────────── v0.1.0 Installed SortingAlgorithms ──────────── v1.2.1 Installed LaTeXStrings ───────────────── v1.4.0 Installed Xorg_libICE_jll ────────────── v1.1.2+0 Installed Grisu ──────────────────────── v1.0.2 Installed eudev_jll ──────────────────── v3.2.14+0 Installed EpollShim_jll ──────────────── v0.0.20230411+1 Installed Format ─────────────────────── v1.3.7 Installed Configurations ─────────────── v0.17.6 Installed MacroTools ─────────────────── v0.5.16 Installed BSplineKit ─────────────────── v0.19.0 Installed URIs ───────────────────────── v1.6.1 Installed DataStructures ─────────────── v0.18.22 Installed DiffResults ────────────────── v1.1.0 Installed Xorg_xcb_util_jll ──────────── v0.4.1+0 Installed Tricks ─────────────────────── v0.1.10 Installed DelimitedFiles ─────────────── v1.9.1 Installed UnitfulLatexify ────────────── v1.7.0 Installed FillArrays ─────────────────── v1.13.0 Installed StatsBase ──────────────────── v0.34.5 Installed UnicodeFun ─────────────────── v0.4.1 Installed CodecZlib ──────────────────── v0.7.8 Installed Xorg_libXau_jll ────────────── v1.0.13+0 Installed Xorg_libXfixes_jll ─────────── v6.0.1+0 Installed x264_jll ───────────────────── v2021.5.5+0 Installed ExpressionExplorer ─────────── v1.1.3 Installed SymEngine ──────────────────── v0.12.0 Installed mtdev_jll ──────────────────── v1.1.7+0 Installed Qt6ShaderTools_jll ─────────── v6.8.2+1 Installed DataValueInterfaces ────────── v1.0.0 Installed PrecompileSignatures ───────── v3.0.3 Installed LoggingExtras ──────────────── v1.1.0 Installed CommonSubexpressions ───────── v0.3.1 Installed Libffi_jll ─────────────────── v3.4.7+0 Installed Pixman_jll ─────────────────── v0.44.2+0 Installed Pluto ──────────────────────── v0.20.13 Installed Expat_jll ──────────────────── v2.6.5+0 Installed IrrationalConstants ────────── v0.2.4 Installed libdecor_jll ───────────────── v0.2.2+0 Installed libpng_jll ─────────────────── v1.6.50+0 Installed Xorg_libXcursor_jll ────────── v1.2.4+0 Installed IntegerMathUtils ───────────── v0.1.3 Installed Xorg_xcb_util_keysyms_jll ──── v0.4.1+0 Installed ColorVectorSpace ───────────── v0.11.0 Installed StableRNGs ─────────────────── v1.0.3 Installed BitFlags ───────────────────── v0.1.9 Installed HTTP ───────────────────────── v1.10.17 Installed ArrayLayouts ───────────────── v1.11.2 Installed Contour ────────────────────── v0.6.3 Installed libfdk_aac_jll ─────────────── v2.0.4+0 Installed FFMPEG_jll ─────────────────── v4.4.4+1 Installed Scratch ────────────────────── v1.3.0 Installed SimpleBufferStream ─────────── v1.2.0 Installed BenchmarkTools ─────────────── v1.6.0 Installed LRUCache ───────────────────── v1.6.2 Installed Qt6Declarative_jll ─────────── v6.8.2+1 Installed FortranFiles ───────────────── v0.6.2 Installed DocStringExtensions ────────── v0.9.5 Installed MPC_jll ────────────────────── v1.3.1+0 Installed RationalRoots ──────────────── v0.2.1 Installed ZMQ ────────────────────────── v1.4.1 Installed ForwardDiff ────────────────── v1.0.1 Installed WignerSymbols ──────────────── v2.0.0 Installed VersionParsing ─────────────── v1.3.0 Installed SymEngine_jll ──────────────── v0.12.0+0 Installed Plots ──────────────────────── v1.40.17 Installed RelocatableFolders ─────────── v1.0.1 Installed PlutoDependencyExplorer ────── v1.2.1 Installed AliasTables ────────────────── v1.1.3 Installed GSL ────────────────────────── v1.0.1 Installed JLFzf ──────────────────────── v0.1.11 Installed ConcurrentUtilities ────────── v2.5.0 Installed HalfIntegers ───────────────── v1.6.0 Installed HashArrayMappedTries ───────── v0.2.0 Installed IteratorInterfaceExtensions ── v1.0.0 Installed Xorg_libXi_jll ─────────────── v1.8.3+0 Installed RecipesBase ────────────────── v1.3.4 Installed DataAPI ────────────────────── v1.16.0 Installed Cubature ───────────────────── v1.5.1 Installed libevdev_jll ───────────────── v1.13.4+0 Installed Wayland_jll ────────────────── v1.24.0+0 Installed Conda ──────────────────────── v1.10.2 Installed Measures ───────────────────── v0.3.2 Installed StaticArraysCore ───────────── v1.4.3 Installed Colors ─────────────────────── v0.13.1 Installed FastGaussQuadrature ────────── v1.0.2 Installed ColorSchemes ───────────────── v3.30.0 Installed StaticArrays ───────────────── v1.9.14 Installed Xorg_libxkbfile_jll ────────── v1.1.3+0 Installed CodeTracking ───────────────── v1.3.9 Installed Libglvnd_jll ───────────────── v1.7.1+1 Installed Xorg_xkbcomp_jll ───────────── v1.4.7+0 Installed Requires ───────────────────── v1.3.1 Installed ColorTypes ─────────────────── v0.12.1 Installed Glib_jll ───────────────────── v2.84.3+0 Installed Latexify ───────────────────── v0.16.8 Installed LogExpFunctions ────────────── v0.3.29 Installed DiffRules ──────────────────── v1.15.1 Installed JuliaInterpreter ───────────── v0.10.3 Installed libsodium_jll ──────────────── v1.0.21+0 Installed Xorg_xcb_util_cursor_jll ───── v0.1.5+0 Installed Vulkan_Loader_jll ──────────── v1.3.243+0 Installed JSON ───────────────────────── v0.21.4 Installed Xorg_xcb_util_renderutil_jll ─ v0.3.10+0 Installed Parsers ────────────────────── v2.8.3 Installed IJulia ─────────────────────── v1.29.0 Installed Unitful ────────────────────── v1.23.1 Installed Xorg_libXdmcp_jll ──────────── v1.1.6+0 Installed Xorg_xkeyboard_config_jll ──── v2.44.0+0 Installed ZeroMQ_jll ─────────────────── v4.3.6+0 Installed Xorg_libSM_jll ─────────────── v1.2.6+0 Installed JLLWrappers ────────────────── v1.7.0 Installed XZ_jll ─────────────────────── v5.8.1+0 Installed x265_jll ───────────────────── v3.5.0+0 Installed Primes ─────────────────────── v0.5.7 Installed Pango_jll ──────────────────── v1.56.3+0 Installed GR_jll ─────────────────────── v0.73.17+0 Installed Xorg_xtrans_jll ────────────── v1.6.0+0 Installed RecipesPipeline ────────────── v0.6.12 Installed Dbus_jll ───────────────────── v1.16.2+0 Installed JpegTurbo_jll ──────────────── v3.1.1+0 Installed HypergeometricFunctions ────── v0.3.28 Installed JLD2 ───────────────────────── v0.5.15 Installed Libmount_jll ───────────────── v2.41.0+0 Installed ExceptionUnwrapping ────────── v0.1.11 Installed Xorg_libX11_jll ────────────── v1.8.12+0 Installed Compat ─────────────────────── v4.17.0 Installed TensorCore ─────────────────── v0.1.1 Installed PlotUtils ──────────────────── v1.4.3 Installed Statistics ─────────────────── v1.11.1 Installed TranscodingStreams ─────────── v0.11.3 Installed StatsAPI ───────────────────── v1.7.1 Installed Xorg_xcb_util_image_jll ────── v0.4.1+0 Installed ProgressMeter ──────────────── v1.10.4 Installed OpenSSL ────────────────────── v1.5.0 Installed MbedTLS ────────────────────── v1.1.9 Installed PrecompileTools ────────────── v1.3.2 Installed ExproniconLite ─────────────── v0.10.14 Installed xkbcommon_jll ──────────────── v1.9.2+0 Installed GettextRuntime_jll ─────────── v0.22.4+0 Installed GLFW_jll ───────────────────── v3.4.0+2 Installed FriBidi_jll ────────────────── v1.0.17+0 Installed LAME_jll ───────────────────── v3.100.3+0 Installed Xorg_libXrender_jll ────────── v0.9.12+0 Installed Cubature_jll ───────────────── v1.0.5+0 Installed IfElse ─────────────────────── v0.1.1 Installed libvorbis_jll ──────────────── v1.3.8+0 Installed LazilyInitializedFields ────── v1.3.0 Installed PtrArrays ──────────────────── v1.3.0 Installed FixedPointNumbers ──────────── v0.8.5 Installed Showoff ────────────────────── v1.0.3 Installed FreeType2_jll ──────────────── v2.13.4+0 Installed SpecialFunctions ───────────── v2.5.1 Installed MbedTLS_jll ────────────────── v2.28.6+2 Installed Xorg_libXext_jll ───────────── v1.3.7+0 Installed Libiconv_jll ───────────────── v1.18.0+0 Installed Xorg_libXrandr_jll ─────────── v1.5.5+0 Installed Qt6Wayland_jll ─────────────── v6.8.2+1 Installed SoftGlobalScope ────────────── v1.1.0 Installed GR ─────────────────────────── v0.73.17 Installed JenaAtomicCalculator ───────── v0.1.0 Installing 81 artifacts Installed artifact Xorg_xcb_util_image 54.3 KiB Installed artifact Xorg_libXau 36.6 KiB Installed artifact Xorg_libXfixes 195.9 KiB Installed artifact Wayland 390.6 KiB Installed artifact Xorg_xcb_util_wm 147.9 KiB Installed artifact Dbus 489.8 KiB Installed artifact Fontconfig 522.5 KiB Installed artifact Xorg_libXinerama 50.1 KiB Installed artifact Graphite2 120.2 KiB Installed artifact xkbcommon 263.7 KiB Installed artifact libinput 1.0 MiB Installed artifact MPC 209.8 KiB Installed artifact GLFW 180.1 KiB Installed artifact Libglvnd 833.5 KiB Installed artifact Xorg_xcb_util_renderutil 32.1 KiB Installed artifact x265 1.1 MiB Installed artifact Xorg_libICE 384.9 KiB Installed artifact Vulkan_Loader 177.3 KiB Installed artifact eudev 3.9 MiB Installed artifact Xorg_xtrans 48.2 KiB Installed artifact SymEngine 1.9 MiB Installed artifact libaom 6.4 MiB Installed artifact Libffi 44.2 KiB Installed artifact Pango 1.1 MiB Installed artifact mtdev 79.6 KiB Installed artifact HarfBuzz 1.7 MiB Installed artifact libevdev 117.1 KiB Installed artifact Bzip2 503.5 KiB Installed artifact Xorg_libXi 1.6 MiB Installed artifact ZeroMQ 316.1 KiB Installed artifact Expat 271.4 KiB Installed artifact FreeType2 1.5 MiB Installed artifact fzf 3.3 MiB Installed artifact Ogg 250.3 KiB Installed artifact libsodium 1.6 MiB Installed artifact LZO 208.9 KiB Installed artifact Pixman 372.2 KiB Installed artifact Xorg_libXrender 435.9 KiB Installed artifact Xorg_libxkbfile 486.7 KiB Installed artifact Xorg_libXcursor 227.1 KiB Installed artifact MbedTLS 2.1 MiB Installed artifact GR 16.2 MiB Installed artifact Libtiff 3.2 MiB Installed artifact Xorg_xcb_util_keysyms 17.8 KiB Installed artifact LERC 272.9 KiB Installed artifact Libuuid 3.5 MiB Installed artifact OpenSpecFun 194.9 KiB Installed artifact Xorg_xcb_util_cursor 56.8 KiB Installed artifact FriBidi 78.9 KiB Installed artifact FFMPEG 10.6 MiB Installed artifact Cairo 2.2 MiB Installed artifact Xorg_libXrandr 354.5 KiB Installed artifact libdecor 44.1 KiB Installed artifact Qt6ShaderTools 2.1 MiB Installed artifact Qt6Wayland 2.2 MiB Installed artifact Opus 925.5 KiB Installed artifact LLVMOpenMP 661.6 KiB Installed artifact LAME 292.5 KiB Installed artifact JpegTurbo 1.6 MiB Installed artifact Cubature 9.9 MiB Installed artifact libvorbis 271.0 KiB Installed artifact GSL 4.6 MiB Installed artifact Xorg_libxcb 2.1 MiB Installed artifact Xorg_xkbcomp 274.8 KiB Installed artifact libpng 328.4 KiB Installed artifact Xorg_libXdmcp 67.7 KiB Installed artifact Libmount 6.4 MiB Installed artifact Xorg_libXext 699.9 KiB Installed artifact Xorg_xkeyboard_config 537.5 KiB Installed artifact XZ 1.5 MiB Installed artifact GettextRuntime 543.0 KiB Installed artifact Xorg_xcb_util 39.5 KiB Installed artifact libfdk_aac 2.8 MiB Installed artifact Xorg_libSM 164.1 KiB Installed artifact x264 2.0 MiB Installed artifact libass 372.4 KiB Installed artifact Libiconv 1.9 MiB Installed artifact Xorg_libX11 13.9 MiB Installed artifact Glib 7.7 MiB Installed artifact Qt6Base 20.6 MiB Installed artifact Qt6Declarative 21.6 MiB Updating `~/.julia/environments/v1.13/Project.toml` [830ae420] + JenaAtomicCalculator v0.1.0 Updating `~/.julia/environments/v1.13/Manifest.toml` [66dad0bd] + AliasTables v1.1.3 [4c555306] + ArrayLayouts v1.11.2 [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 v3.4.2 [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 v1.40.17 [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 v1.4.0 [6c6a2e73] + Scratch v1.3.0 [992d4aef] + Showoff v1.0.3 [777ac1f9] + SimpleBufferStream v1.2.0 [b85f4697] + SoftGlobalScope v1.1.0 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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 [35ca27e7] + eudev_jll v3.2.14+0 [214eeab7] + fzf_jll v0.61.1+0 [a4ae2306] + libaom_jll v3.12.1+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 v1.7.0 [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 v8.14.1+1 [e37daf67] + LibGit2_jll v1.9.1+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [3a97d323] + MPFR_jll v4.2.2+0 [14a3606d] + MozillaCACerts_jll v2025.7.15 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.5.1+0 [efcefdf7] + PCRE2_jll v10.45.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.13.1+0 [8e850ede] + nghttp2_jll v1.65.0+0 [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 86.01s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling packages... 4782.4 ms ✓ TestEnv 1 dependency successfully precompiled in 5 seconds. 26 already precompiled. Precompiling package dependencies... Precompilation completed after 1042.69s ################################################################################ # Testing # Testing JenaAtomicCalculator Status `/tmp/jl_lQU8cX/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 v1.40.17 [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_lQU8cX/Manifest.toml` [66dad0bd] AliasTables v1.1.3 [4c555306] ArrayLayouts v1.11.2 [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] 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[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 v3.4.2 [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 v1.40.17 [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 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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 2^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... 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 2^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... 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 -3.612926232617496e+02 -3.612926232617496e+02 3 0 + -1.306162306821561e+01 -3.554248673569518e+02 -3.554248673569518e+02 Energy of each level relative to immediately lower level: Level J Parity Hartrees eV [eV] 2 0 + 1.297607778129018e+00 3.530970615322323e+01 3.530970615322323e+01 3 0 + 2.156360539843494e-01 5.867755904797690e+00 5.867755904797690e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 1.297607778129018e+00 3.530970615322323e+01 3.530970615322323e+01 3 0 + 1.513243832113368e+00 4.117746205802092e+01 4.117746205802092e+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 + 4.014446635222324e-01 1.092386570477248e+01 1.092386570477248e+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 + 4.014446635222324e-01 1.092386570477248e+01 1.092386570477248e+01 3 0 + 4.990818879698420e-01 1.358070990913776e+01 1.358070990913776e+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 -3.925819717521333e+02 -3.925819717521333e+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 + 3.269586766567638e-01 8.896998763095564e+00 8.896998763095564e+00 3 0 + 8.988570416724251e-02 2.445914593774358e+00 2.445914593774358e+00 Energy of each level relative to lowest level: Level J Parity Hartrees eV [eV] 2 0 + 3.269586766567638e-01 8.896998763095564e+00 8.896998763095564e+00 3 0 + 4.168443808240063e-01 1.134291335686992e+01 1.134291335686992e+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^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 >> 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 >> 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^2 2s^0 2p^1 (3) 1s^2 2s^0 3s^1 (4) 1s^2 2s^0 3p^1 (5) 1s^2 2s^0 3d^1 (6) 1s^2 2s^0 4s^1 (7) 1s^2 2s^0 4p^1 (8) 1s^2 2s^0 4d^1 (9) 1s^2 2s^0 5s^1 (10) 1s^2 2s^0 5p^1 (11) 1s^2 2s^0 5d^1 (12) 1s^1 2s^2 (13) 1s^1 2s^1 2p^1 (14) 1s^1 2s^1 3s^1 (15) 1s^1 2s^1 3p^1 (16) 1s^1 2s^1 3d^1 (17) 1s^1 2s^1 4s^1 (18) 1s^1 2s^1 4p^1 (19) 1s^1 2s^1 4d^1 (20) 1s^1 2s^1 5s^1 (21) 1s^1 2s^1 5p^1 (22) 1s^1 2s^1 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]: -64.0803590756679 ... -38.74272624080906 Channel with 3/2 + symmetry, 15 levels and energies [Hartree]: -61.015689426533335 ... -38.705545408201054 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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -4.981534059987702e+02 -1.355544462781032e+04 -1.355544462781032e+04 2 1/2 - -4.977445256232411e+02 -1.354431842607580e+04 -1.354431842607580e+04 3 3/2 - -4.975618493005817e+02 -1.353934755014320e+04 -1.353934755014320e+04 4 5/2 - -4.971293943877188e+02 -1.352757985257304e+04 -1.352757985257304e+04 5 1/2 - -4.962326644484177e+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 - -4.953367084328208e+02 -1.347879838304168e+04 -1.347879838304168e+04 9 3/2 + -4.953007557740429e+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 + -4.943484791260395e+02 -1.345190729389857e+04 -1.345190729389857e+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 - 1.826763226594039e-01 4.970875932599113e+00 4.970875932599113e+00 4 5/2 - 4.324549128629087e-01 1.176769757015807e+01 1.176769757015807e+01 5 1/2 - 8.967299393011103e-01 2.440126453401368e+01 2.440126453401368e+01 6 3/2 - 3.742961423230895e-01 1.018511681455045e+01 1.018511681455045e+01 7 1/2 + 2.545030963194677e-01 6.925381997234275e+00 6.925381997234275e+00 8 1/2 - 2.671567769543230e-01 7.269706185563124e+00 7.269706185563124e+00 9 3/2 + 3.595265877794418e-02 9.783216764519805e-01 9.783216764519805e-01 10 3/2 - 7.674244449231082e-02 2.088268281198693e+00 2.088268281198693e+00 11 5/2 + 1.999612588920741e-01 5.441223004757385e+00 5.441223004757385e+00 12 3/2 + 6.755729446189775e-01 1.838327618069508e+01 1.838327618069508e+01 13 1/2 + 7.258917051871094e-02 1.975251939856247e+00 1.975251939856247e+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 - 5.915566981884695e-01 1.609707766712308e+01 1.609707766712308e+01 4 5/2 - 1.024011611051378e+00 2.786477523728115e+01 2.786477523728115e+01 5 1/2 - 1.920741550352489e+00 5.226603977129483e+01 5.226603977129483e+01 6 3/2 - 2.295037692675578e+00 6.245115658584528e+01 6.245115658584528e+01 7 1/2 + 2.549540788995046e+00 6.937653858307955e+01 6.937653858307955e+01 8 1/2 - 2.816697565949369e+00 7.664624476864267e+01 7.664624476864267e+01 9 3/2 + 2.852650224727313e+00 7.762456644509466e+01 7.762456644509466e+01 10 3/2 - 2.929392669219624e+00 7.971283472629335e+01 7.971283472629335e+01 11 5/2 + 3.129353928111698e+00 8.515405773105074e+01 8.515405773105074e+01 12 3/2 + 3.804926872730675e+00 1.035373339117458e+02 1.035373339117458e+02 13 1/2 + 3.877516043249386e+00 1.055125858516021e+02 1.055125858516021e+02 14 5/2 + 4.068512333606293e+00 1.107098596368918e+02 1.107098596368918e+02 15 3/2 + 4.540579733078630e+00 1.235554678713912e+02 1.235554678713912e+02 16 1/2 + 5.265599224377809e+00 1.432842531211571e+02 1.432842531211571e+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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -4.981534059987702e+02 -1.355544462781032e+04 -1.355544462781032e+04 2 1/2 - -4.977445256232411e+02 -1.354431842607580e+04 -1.354431842607580e+04 3 3/2 - -4.975618493005817e+02 -1.353934755014320e+04 -1.353934755014320e+04 4 5/2 - -4.971293943877188e+02 -1.352757985257304e+04 -1.352757985257304e+04 5 1/2 - -4.962326644484177e+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 - -4.953367084328208e+02 -1.347879838304168e+04 -1.347879838304168e+04 9 3/2 + -4.953007557740429e+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 + -4.943484791260395e+02 -1.345190729389857e+04 -1.345190729389857e+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 - 1.826763226594039e-01 4.970875932599113e+00 4.970875932599113e+00 4 5/2 - 4.324549128629087e-01 1.176769757015807e+01 1.176769757015807e+01 5 1/2 - 8.967299393011103e-01 2.440126453401368e+01 2.440126453401368e+01 6 3/2 - 3.742961423230895e-01 1.018511681455045e+01 1.018511681455045e+01 7 1/2 + 2.545030963194677e-01 6.925381997234275e+00 6.925381997234275e+00 8 1/2 - 2.671567769543230e-01 7.269706185563124e+00 7.269706185563124e+00 9 3/2 + 3.595265877794418e-02 9.783216764519805e-01 9.783216764519805e-01 10 3/2 - 7.674244449231082e-02 2.088268281198693e+00 2.088268281198693e+00 11 5/2 + 1.999612588920741e-01 5.441223004757385e+00 5.441223004757385e+00 12 3/2 + 6.755729446189775e-01 1.838327618069508e+01 1.838327618069508e+01 13 1/2 + 7.258917051871094e-02 1.975251939856247e+00 1.975251939856247e+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 - 5.915566981884695e-01 1.609707766712308e+01 1.609707766712308e+01 4 5/2 - 1.024011611051378e+00 2.786477523728115e+01 2.786477523728115e+01 5 1/2 - 1.920741550352489e+00 5.226603977129483e+01 5.226603977129483e+01 6 3/2 - 2.295037692675578e+00 6.245115658584528e+01 6.245115658584528e+01 7 1/2 + 2.549540788995046e+00 6.937653858307955e+01 6.937653858307955e+01 8 1/2 - 2.816697565949369e+00 7.664624476864267e+01 7.664624476864267e+01 9 3/2 + 2.852650224727313e+00 7.762456644509466e+01 7.762456644509466e+01 10 3/2 - 2.929392669219624e+00 7.971283472629335e+01 7.971283472629335e+01 11 5/2 + 3.129353928111698e+00 8.515405773105074e+01 8.515405773105074e+01 12 3/2 + 3.804926872730675e+00 1.035373339117458e+02 1.035373339117458e+02 13 1/2 + 3.877516043249386e+00 1.055125858516021e+02 1.055125858516021e+02 14 5/2 + 4.068512333606293e+00 1.107098596368918e+02 1.107098596368918e+02 15 3/2 + 4.540579733078630e+00 1.235554678713912e+02 1.235554678713912e+02 16 1/2 + 5.265599224377809e+00 1.432842531211571e+02 1.432842531211571e+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. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. 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-02-5.44502410e-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-01-3.20374603e-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+002.12951622e+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. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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) || 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. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. 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-011.12684189e+00 testModule_ParityNonConservation():: [Fail] JAC amplitudes: Test Failed at /home/pkgeval/.julia/packages/JenaAtomicCalculator/zvGIw/test/runtests.jl:32 Expression: TestFrames.testModule_ParityNonConservation() Stacktrace: [1] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/zvGIw/test/runtests.jl:5 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1858 [inlined] [3] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/zvGIw/test/runtests.jl:31 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1858 [inlined] [5] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/zvGIw/test/runtests.jl:32 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:741 [inlined] 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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -9.711504212090782e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900311e+02 -2.641024081452561e+04 -2.641024081452561e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011057e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021922e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409184e+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 + -9.642045522528895e+02 -2.623734227359464e+04 -2.623734227359464e+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 - 4.970533204116236e-01 1.352550977424344e+01 1.352550977424344e+01 4 1/2 - 1.725506968513741e+00 4.695343620042740e+01 4.695343620042740e+01 5 5/2 - 2.557640715223215e-01 6.959694880240779e+00 6.959694880240779e+00 6 1/2 + 9.990003273911725e-01 2.718418354274757e+01 2.718418354274757e+01 7 3/2 - 6.065623376753138e-01 1.650540191567655e+01 1.650540191567655e+01 8 1/2 - 7.582178235984429e-01 2.063215788518150e+01 2.063215788518150e+01 9 3/2 - 2.627381855313615e-01 7.149470188688257e+00 7.149470188688257e+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 + 5.878379936847296e-01 1.599588656337750e+01 1.599588656337750e+01 13 3/2 + 1.377996994310706e-01 3.749720814658837e+00 3.749720814658837e+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 - 1.089018039458779e+00 2.963369025445642e+01 2.963369025445642e+01 4 1/2 - 2.814525007972520e+00 7.658712645488382e+01 7.658712645488382e+01 5 5/2 - 3.070289079494842e+00 8.354682133512460e+01 8.354682133512460e+01 6 1/2 + 4.069289406886014e+00 1.107310048778722e+02 1.107310048778722e+02 7 3/2 - 4.675851744561328e+00 1.272364067935487e+02 1.272364067935487e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691132e+00 1.550180348674185e+02 1.550180348674185e+02 10 3/2 + 5.758422527587527e+00 1.566946582644483e+02 1.566946582644483e+02 11 5/2 + 6.358030962504017e+00 1.730108348478090e+02 1.730108348478090e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619817e+00 1.927564422258453e+02 1.927564422258453e+02 14 5/2 + 8.848480079291789e+00 2.407794071278891e+02 2.407794071278891e+02 15 3/2 + 9.701295385029084e+00 2.639856936160709e+02 2.639856936160709e+02 16 1/2 + 1.047293629626063e+01 2.849831123204170e+02 2.849831123204170e+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 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 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 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 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 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 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 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 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 , 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^1 2s^2 2p^6 , 1s) 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. 0.477250 seconds (175.31 k allocations: 9.192 MiB, 99.45% 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 , 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^1 2s^2 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^0 2p^6 , 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^1 2p^5 , 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] (conf, holeShell) = (Configuration: 1s^2 2s^2 2p^4 , 1s) 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=1.0824e-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 = -1.5526140998445388, 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=1.5018e-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 = 0.9649035729173187, 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=2.4094e-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 = 0.3957299760918835, 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=-6.9361e-14]. >> 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 = 0.9651212096217611, 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=1.8323e-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 = 0.9696666461755675, 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=1.7310e-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 = 0.9697797540351762, 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=1.2367e-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 = 0.9677299593671915, 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=1.2120e-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 = 0.9722679702930193, 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=2.2136e-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 = 0.6020479083960699, 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=2.0865e-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 = 0.6033274974618295, 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=3.0440e-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 = 1.5694736606884825, 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=2.1305e-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 = 0.6035122565726766, 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=3.0153e-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 = 1.5695704539780022, 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=2.8552e-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 = 0.6023630718527712, 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=2.9824e-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 = 0.6036409878744681, 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=8.0883e-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 = -1.5689233141033283, cPhase = 0.22266988401176224 Step 3:: A total of 5 Auger lines are calculated, giving now rise to a total of 10 Auger decay lines. 4.823196 seconds (51.70 M allocations: 948.427 MiB, 4.68% gc time, 19.55% 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 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 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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -9.711504212090782e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900311e+02 -2.641024081452561e+04 -2.641024081452561e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011057e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021922e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409184e+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 + -9.642045522528895e+02 -2.623734227359464e+04 -2.623734227359464e+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 - 4.970533204116236e-01 1.352550977424344e+01 1.352550977424344e+01 4 1/2 - 1.725506968513741e+00 4.695343620042740e+01 4.695343620042740e+01 5 5/2 - 2.557640715223215e-01 6.959694880240779e+00 6.959694880240779e+00 6 1/2 + 9.990003273911725e-01 2.718418354274757e+01 2.718418354274757e+01 7 3/2 - 6.065623376753138e-01 1.650540191567655e+01 1.650540191567655e+01 8 1/2 - 7.582178235984429e-01 2.063215788518150e+01 2.063215788518150e+01 9 3/2 - 2.627381855313615e-01 7.149470188688257e+00 7.149470188688257e+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 + 5.878379936847296e-01 1.599588656337750e+01 1.599588656337750e+01 13 3/2 + 1.377996994310706e-01 3.749720814658837e+00 3.749720814658837e+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 - 1.089018039458779e+00 2.963369025445642e+01 2.963369025445642e+01 4 1/2 - 2.814525007972520e+00 7.658712645488382e+01 7.658712645488382e+01 5 5/2 - 3.070289079494842e+00 8.354682133512460e+01 8.354682133512460e+01 6 1/2 + 4.069289406886014e+00 1.107310048778722e+02 1.107310048778722e+02 7 3/2 - 4.675851744561328e+00 1.272364067935487e+02 1.272364067935487e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691132e+00 1.550180348674185e+02 1.550180348674185e+02 10 3/2 + 5.758422527587527e+00 1.566946582644483e+02 1.566946582644483e+02 11 5/2 + 6.358030962504017e+00 1.730108348478090e+02 1.730108348478090e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619817e+00 1.927564422258453e+02 1.927564422258453e+02 14 5/2 + 8.848480079291789e+00 2.407794071278891e+02 2.407794071278891e+02 15 3/2 + 9.701295385029084e+00 2.639856936160709e+02 2.639856936160709e+02 16 1/2 + 1.047293629626063e+01 2.849831123204170e+02 2.849831123204170e+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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -9.711504212090782e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900311e+02 -2.641024081452561e+04 -2.641024081452561e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011057e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021922e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409184e+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 + -9.642045522528895e+02 -2.623734227359464e+04 -2.623734227359464e+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 - 4.970533204116236e-01 1.352550977424344e+01 1.352550977424344e+01 4 1/2 - 1.725506968513741e+00 4.695343620042740e+01 4.695343620042740e+01 5 5/2 - 2.557640715223215e-01 6.959694880240779e+00 6.959694880240779e+00 6 1/2 + 9.990003273911725e-01 2.718418354274757e+01 2.718418354274757e+01 7 3/2 - 6.065623376753138e-01 1.650540191567655e+01 1.650540191567655e+01 8 1/2 - 7.582178235984429e-01 2.063215788518150e+01 2.063215788518150e+01 9 3/2 - 2.627381855313615e-01 7.149470188688257e+00 7.149470188688257e+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 + 5.878379936847296e-01 1.599588656337750e+01 1.599588656337750e+01 13 3/2 + 1.377996994310706e-01 3.749720814658837e+00 3.749720814658837e+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 - 1.089018039458779e+00 2.963369025445642e+01 2.963369025445642e+01 4 1/2 - 2.814525007972520e+00 7.658712645488382e+01 7.658712645488382e+01 5 5/2 - 3.070289079494842e+00 8.354682133512460e+01 8.354682133512460e+01 6 1/2 + 4.069289406886014e+00 1.107310048778722e+02 1.107310048778722e+02 7 3/2 - 4.675851744561328e+00 1.272364067935487e+02 1.272364067935487e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691132e+00 1.550180348674185e+02 1.550180348674185e+02 10 3/2 + 5.758422527587527e+00 1.566946582644483e+02 1.566946582644483e+02 11 5/2 + 6.358030962504017e+00 1.730108348478090e+02 1.730108348478090e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619817e+00 1.927564422258453e+02 1.927564422258453e+02 14 5/2 + 8.848480079291789e+00 2.407794071278891e+02 2.407794071278891e+02 15 3/2 + 9.701295385029084e+00 2.639856936160709e+02 2.639856936160709e+02 16 1/2 + 1.047293629626063e+01 2.849831123204170e+02 2.849831123204170e+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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -9.711504212090782e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900311e+02 -2.641024081452561e+04 -2.641024081452561e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011057e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021922e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409184e+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 + -9.642045522528895e+02 -2.623734227359464e+04 -2.623734227359464e+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 - 4.970533204116236e-01 1.352550977424344e+01 1.352550977424344e+01 4 1/2 - 1.725506968513741e+00 4.695343620042740e+01 4.695343620042740e+01 5 5/2 - 2.557640715223215e-01 6.959694880240779e+00 6.959694880240779e+00 6 1/2 + 9.990003273911725e-01 2.718418354274757e+01 2.718418354274757e+01 7 3/2 - 6.065623376753138e-01 1.650540191567655e+01 1.650540191567655e+01 8 1/2 - 7.582178235984429e-01 2.063215788518150e+01 2.063215788518150e+01 9 3/2 - 2.627381855313615e-01 7.149470188688257e+00 7.149470188688257e+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 + 5.878379936847296e-01 1.599588656337750e+01 1.599588656337750e+01 13 3/2 + 1.377996994310706e-01 3.749720814658837e+00 3.749720814658837e+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 - 1.089018039458779e+00 2.963369025445642e+01 2.963369025445642e+01 4 1/2 - 2.814525007972520e+00 7.658712645488382e+01 7.658712645488382e+01 5 5/2 - 3.070289079494842e+00 8.354682133512460e+01 8.354682133512460e+01 6 1/2 + 4.069289406886014e+00 1.107310048778722e+02 1.107310048778722e+02 7 3/2 - 4.675851744561328e+00 1.272364067935487e+02 1.272364067935487e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691132e+00 1.550180348674185e+02 1.550180348674185e+02 10 3/2 + 5.758422527587527e+00 1.566946582644483e+02 1.566946582644483e+02 11 5/2 + 6.358030962504017e+00 1.730108348478090e+02 1.730108348478090e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619817e+00 1.927564422258453e+02 1.927564422258453e+02 14 5/2 + 8.848480079291789e+00 2.407794071278891e+02 2.407794071278891e+02 15 3/2 + 9.701295385029084e+00 2.639856936160709e+02 2.639856936160709e+02 16 1/2 + 1.047293629626063e+01 2.849831123204170e+02 2.849831123204170e+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 4 x 4 for the symmetry 1/2^+ ... ... 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 2 x 2 for the symmetry 5/2^+ ... ... 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 + -9.711504212090782e+02 -2.642634899500582e+04 -2.642634899500582e+04 2 1/2 - -9.705584564900311e+02 -2.641024081452561e+04 -2.641024081452561e+04 3 3/2 - -9.700614031696194e+02 -2.639671530475136e+04 -2.639671530475136e+04 4 1/2 - -9.683358962011057e+02 -2.634976186855094e+04 -2.634976186855094e+04 5 5/2 - -9.680801321295834e+02 -2.634280217367070e+04 -2.634280217367070e+04 6 1/2 + -9.670811318021922e+02 -2.631561799012795e+04 -2.631561799012795e+04 7 3/2 - -9.664745694645169e+02 -2.629911258821227e+04 -2.629911258821227e+04 8 1/2 - -9.657163516409184e+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 + -9.642045522528895e+02 -2.623734227359464e+04 -2.623734227359464e+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 - 4.970533204116236e-01 1.352550977424344e+01 1.352550977424344e+01 4 1/2 - 1.725506968513741e+00 4.695343620042740e+01 4.695343620042740e+01 5 5/2 - 2.557640715223215e-01 6.959694880240779e+00 6.959694880240779e+00 6 1/2 + 9.990003273911725e-01 2.718418354274757e+01 2.718418354274757e+01 7 3/2 - 6.065623376753138e-01 1.650540191567655e+01 1.650540191567655e+01 8 1/2 - 7.582178235984429e-01 2.063215788518150e+01 2.063215788518150e+01 9 3/2 - 2.627381855313615e-01 7.149470188688257e+00 7.149470188688257e+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 + 5.878379936847296e-01 1.599588656337750e+01 1.599588656337750e+01 13 3/2 + 1.377996994310706e-01 3.749720814658837e+00 3.749720814658837e+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 - 1.089018039458779e+00 2.963369025445642e+01 2.963369025445642e+01 4 1/2 - 2.814525007972520e+00 7.658712645488382e+01 7.658712645488382e+01 5 5/2 - 3.070289079494842e+00 8.354682133512460e+01 8.354682133512460e+01 6 1/2 + 4.069289406886014e+00 1.107310048778722e+02 1.107310048778722e+02 7 3/2 - 4.675851744561328e+00 1.272364067935487e+02 1.272364067935487e+02 8 1/2 - 5.434069568159771e+00 1.478685646787302e+02 1.478685646787302e+02 9 3/2 - 5.696807753691132e+00 1.550180348674185e+02 1.550180348674185e+02 10 3/2 + 5.758422527587527e+00 1.566946582644483e+02 1.566946582644483e+02 11 5/2 + 6.358030962504017e+00 1.730108348478090e+02 1.730108348478090e+02 12 1/2 + 6.945868956188747e+00 1.890067214111864e+02 1.890067214111864e+02 13 3/2 + 7.083668655619817e+00 1.927564422258453e+02 1.927564422258453e+02 14 5/2 + 8.848480079291789e+00 2.407794071278891e+02 2.407794071278891e+02 15 3/2 + 9.701295385029084e+00 2.639856936160709e+02 2.639856936160709e+02 16 1/2 + 1.047293629626063e+01 2.849831123204170e+02 2.849831123204170e+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 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 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=4.9410e-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 = 0.21028361107768068, 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=4.9410e-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 = 0.21028361107768068, 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=-5.7801e-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 = 0.637219175550368, 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=-5.7801e-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 = 0.637219175550368, 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=1.4059e-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 = 0.21400809913017738, 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=1.4059e-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 = 0.21400809913017738, 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=-5.3731e-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 = 0.4330632694497696, 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=-5.5075e-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 = 0.45409347277092493, 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=-5.6926e-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 = 0.09040327393231533, cPhase = -3.07228781180842 (waC, waB) = (1.4772292154147846 + 8.927080077364889e-18im, 1.4877166930463608 - 6.019914892276037e-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=1.6909e-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 = 0.2051784418464434, 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=1.6909e-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 = 0.2051784418464434, 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=3.9258e-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 = 0.6175352661403697, 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=3.9258e-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 = 0.6175352661403697, 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=1.7646e-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 = 0.2091787774586727, 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=1.7646e-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 = 0.2091787774586727, 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=-5.5228e-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 = 0.408582093655999, 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=1.0244e-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 = 0.4295139834987041, 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=2.8620e-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 = 0.09752698231386184, cPhase = 2.159494201913107 (waC, waB) = (1.4695830508934729 - 9.29175063583825e-18im, 1.4753851149199286 - 7.98228695392757e-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=-2.4665e-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 = 0.6394913833687499, 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=-2.4665e-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 = 0.6394913833687499, 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=9.9874e-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 = 0.21540371062928962, 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=9.9874e-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 = 0.21540371062928962, 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=-8.3959e-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 = 0.4359530557893726, 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=5.1909e-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 = 0.4570047205679991, cPhase = 1.0213494791827 (waC, waB) = (1.431206402331621 + 0.0im, 1.446885531962454 + 0.0im) >> 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=1.4930e-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 = 0.6194499622164237, 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=1.4930e-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 = 0.6194499622164237, 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=2.8671e-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 = 0.21042406274262593, 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=2.8671e-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 = 0.21042406274262593, 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=1.7418e-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 = 0.4109054264440038, 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=1.9341e-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 = 0.4318769774803633, cPhase = -2.4031640335643254 (waC, waB) = (1.4402379437456254 + 0.0im, 1.4533958722571154 + 0.0im) 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 2 x 2 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 5/2^+ ... ... 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=-6.1039e-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 = 0.13867147238185357, 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=8.5520e-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 = 0.13753287674218084, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=1.1759e-12]. >> 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 = 0.27139073432518235, 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=-1.4264e-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 = 0.04885780471928592, 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=8.5520e-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 = 0.13753287674218084, 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=8.5520e-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 = 0.13753287674218084, 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=-1.4264e-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 = 0.04885780471928592, 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=-1.4264e-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 = 0.04885780471928592, 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 3 x 3 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... 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. 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 -3.421464252163731e+04 -3.421464252163731e+04 4 3/2 + -1.255614623717313e+03 -3.416701421832885e+04 -3.416701421832885e+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 -3.406412403205882e+04 -3.406412403205882e+04 10 1/2 + -1.251327368725843e+03 -3.405035206778979e+04 -3.405035206778979e+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 + 4.714016093342213e+02 1.282749116204273e+04 1.282749116204273e+04 4 3/2 + 1.750307877498471e+00 4.762830330845778e+01 4.762830330845778e+01 5 5/2 + 5.801620639163048e-01 1.578701387538648e+01 1.578701387538648e+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 + 8.146715436573686e-01 2.216834185396994e+01 2.216834185396994e+01 10 1/2 + 5.061103561172331e-01 1.377196426902570e+01 1.377196426902570e+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 + 4.737292198742716e+02 1.289082867095226e+04 1.289082867095226e+04 4 3/2 + 4.754795277517701e+02 1.293845697426072e+04 1.293845697426072e+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 + 4.792606723871227e+02 1.304134716053075e+04 1.304134716053075e+04 10 1/2 + 4.797667827432399e+02 1.305511912479978e+04 1.305511912479978e+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 2 x 2 for the symmetry 2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... 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 + 1.252277355906244e+00 3.407620253566974e+01 3.407620253566974e+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 + 1.229189189775366e+01 3.344794153458851e+02 3.344794153458851e+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 = 0.2351737033890074, cPhase = 0.31883897058522015 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 = -0.12712970752474342, cPhase = -1.1649197479718503 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 = -0.1316791245859645, 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 4.920059e+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 + 4.837527e-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 3.574038e+01 4.431242e-03 5 5/2 + Inf 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6 1/2 + 2.032496e-13 4.920059e+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 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 + -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 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. > 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 2 x 2 for the symmetry 3^+ ... ... done. > Compute CI matrix of dimension 6 x 6 for the symmetry 1^+ ... ... 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. > Compute CI matrix of dimension 5 x 5 for the symmetry 2^+ ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... 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 + -5.694049761485671e+02 -1.549429860768755e+04 -1.549429860768755e+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 + -5.675564790930417e+02 -1.544399844075282e+04 -1.544399844075282e+04 10 2 + -5.674694844829746e+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 + -5.659058362130331e+02 -1.539908216016374e+04 -1.539908216016374e+04 19 1 + -5.654774770918430e+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 + 3.408798829183297e-01 9.275814080543073e+00 9.275814080543073e+00 4 2 - 1.790538447728522e-01 4.872303288479242e+00 4.872303288479242e+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 + 1.436059938131393e-01 3.907718132435066e+00 3.907718132435066e+00 10 2 + 8.699461006710862e-02 2.367243916195471e+00 2.367243916195471e+00 11 1 + 1.509777749687373e-01 4.108314515115005e+00 4.108314515115005e+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 + 2.646338307184806e-01 7.201053321631909e+00 7.201053321631909e+00 19 1 + 4.283591211901694e-01 1.165624540189366e+01 1.165624540189366e+01 20 0 + 1.927456022929164e-01 5.244874987649944e+00 5.244874987649944e+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 + 4.723787474026722e-01 1.285408044321818e+01 1.285408044321818e+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 + 2.320875802928072e+00 6.315424737795320e+01 6.315424737795320e+01 10 2 + 2.407870412995180e+00 6.552149129414867e+01 6.552149129414867e+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 + 3.971518682936676e+00 1.080705279670319e+02 1.080705279670319e+02 19 1 + 4.399877804126845e+00 1.197267733689255e+02 1.197267733689255e+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 = 0.15908102116875594, 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 Fail Total Time Name | 27 1 28 8m54.9s JAC methods | 1 1 6.1s JAC evaluations | 9 9 2m57.4s JAC representations | 3 3 1m30.6s JAC amplitudes | 1 1 2 2m37.7s JAC properties | 7 7 44.4s JAC processes | 6 6 58.0s JAC cascades | 0 0.0s RNG of the outermost testset: Random.Xoshiro(0xe88c1c19bfb201d3, 0x8380452101bd8e64, 0x90982e258f1ff241, 0xc3a79b7d12938767, 0x9f9b12a412931c15) ERROR: LoadError: Some tests did not pass: 27 passed, 1 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/JenaAtomicCalculator/zvGIw/test/runtests.jl:4 Testing failed after 589.75s ERROR: LoadError: Package JenaAtomicCalculator errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2661 [3] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2510 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:537 [5] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:168 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [7] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [inlined] [8] #test#81 @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:155 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [10] include(mod::Module, _path::String) @ Base ./Base.jl:309 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:320 [12] _start() @ Base ./client.jl:553 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 1765.73s: package has test failures