Package evaluation to test JenaAtomicCalculator on Julia 1.14.0-DEV.2802 (918269a29b*) started at 2026-07-29T18:36:57.922 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 15.89s ################################################################################ # Installation # Installing JenaAtomicCalculator... Resolving package versions... Installed CommonWorldInvalidations ───── v1.1.1 Installed Libtiff_jll ────────────────── v4.7.3+0 Installed Qt6Base_jll ────────────────── v6.10.2+2 Installed libass_jll ─────────────────── v0.17.4+0 Installed Bzip2_jll ──────────────────── v1.0.9+0 Installed HarfBuzz_jll ───────────────── v8.5.1+0 Installed libaom_jll ─────────────────── v3.13.3+0 Installed Libuuid_jll ────────────────── v2.42.0+0 Installed Cairo_jll ──────────────────── v1.18.7+0 Installed OrderedCollections ─────────── v1.8.2 Installed Graphite2_jll ──────────────── v1.3.16+0 Installed GracefulPkg ────────────────── v2.4.3 Installed PlotThemes ─────────────────── v3.3.0 Installed FileIO ─────────────────────── v1.20.0 Installed Xorg_libXinerama_jll ───────── v1.1.7+0 Installed Xorg_libpciaccess_jll ──────── v0.19.0+0 Installed libinput_jll ───────────────── v1.28.1+0 Installed Malt ───────────────────────── v1.4.1 Installed MIMEs ──────────────────────── v1.1.0 Installed Revise ─────────────────────── v3.16.2 Installed NaNMath ────────────────────── v1.1.4 Installed LoweredCodeUtils ───────────── v3.8.0 Installed GaussQuadrature ────────────── v0.5.8 Installed Compiler ───────────────────── v0.1.1 Installed Fontconfig_jll ─────────────── v2.17.1+0 Installed fzf_jll ────────────────────── v0.61.1+0 Installed OpenSpecFun_jll ────────────── v0.5.6+0 Installed Opus_jll ───────────────────── v1.6.1+0 Installed QuadGK ─────────────────────── v2.11.3 Installed ScopedValues ───────────────── v1.6.2 Installed Tables ─────────────────────── v1.13.0 Installed Ogg_jll ────────────────────── v1.3.6+0 Installed MsgPack ────────────────────── v1.2.1 Installed GSL_jll ────────────────────── v2.8.1+0 Installed libva_jll ──────────────────── v2.23.0+0 Installed Xorg_libxcb_jll ────────────── v1.17.1+0 Installed Reexport ───────────────────── v1.2.2 Installed Unzip ──────────────────────── v0.2.0 Installed BandedMatrices ─────────────── v1.11.0 Installed Static ─────────────────────── v1.4.4 Installed Xorg_xcb_util_wm_jll ───────── v0.4.2+0 Installed FFMPEG ─────────────────────── v0.4.5 Installed LERC_jll ───────────────────── v4.1.0+0 Installed Missings ───────────────────── v1.2.0 Installed RegistryInstances ──────────── v0.1.0 Installed Preferences ────────────────── v1.5.2 Installed HypertextLiteral ───────────── v1.0.0 Installed TableTraits ────────────────── v1.0.1 Installed LLVMOpenMP_jll ─────────────── v22.1.7+0 Installed SortingAlgorithms ──────────── v1.2.3 Installed libdrm_jll ─────────────────── v2.4.134+0 Installed Xorg_libICE_jll ────────────── v1.1.2+0 Installed eudev_jll ──────────────────── v3.2.14+0 Installed Grisu ──────────────────────── v1.0.2 Installed LaTeXStrings ───────────────── v1.4.0 Installed EpollShim_jll ──────────────── v0.0.20230411+1 (no artifacts on this platform) Installed Format ─────────────────────── v1.3.7 Installed Configurations ─────────────── v0.17.6 Installed DataStructures ─────────────── v0.18.22 Installed BSplineKit ─────────────────── v0.19.2 Installed MacroTools ─────────────────── v0.5.16 Installed FillArrays ─────────────────── v1.17.0 Installed StatsBase ──────────────────── v0.34.12 Installed DiffResults ────────────────── v1.1.0 Installed URIs ───────────────────────── v1.6.1 Installed SymEngine ──────────────────── v0.12.0 Installed Tricks ─────────────────────── v0.1.13 Installed DelimitedFiles ─────────────── v1.9.1 Installed Xorg_xcb_util_jll ──────────── v0.4.1+0 Installed x264_jll ───────────────────── v10164.0.1+0 Installed UnicodeFun ─────────────────── v0.4.1 Installed ExpressionExplorer ─────────── v1.1.4 Installed CodecZlib ──────────────────── v0.7.8 Installed Xorg_libXfixes_jll ─────────── v6.0.2+0 Installed Xorg_libXau_jll ────────────── v1.0.13+0 Installed mtdev_jll ──────────────────── v1.1.7+0 Installed Qt6ShaderTools_jll ─────────── v6.10.2+1 Installed DataValueInterfaces ────────── v1.0.0 Installed PrecompileSignatures ───────── v3.0.3 Installed CommonSubexpressions ───────── v0.3.1 Installed Pluto ──────────────────────── v0.20.28 Installed Expat_jll ──────────────────── v2.8.2+0 Installed StructUtils ────────────────── v2.8.2 Installed LoggingExtras ──────────────── v1.2.0 Installed IntegerMathUtils ───────────── v0.1.4 Installed Libffi_jll ─────────────────── v3.4.7+0 Installed IrrationalConstants ────────── v0.2.6 Installed libdecor_jll ───────────────── v0.2.2+0 Installed Pixman_jll ─────────────────── v0.46.4+0 Installed Contour ────────────────────── v0.6.3 Installed Xorg_libXcursor_jll ────────── v1.2.4+0 Installed libpng_jll ─────────────────── v1.6.58+0 Installed Dierckx_jll ────────────────── v0.2.0+0 Installed ColorVectorSpace ───────────── v0.11.0 Installed StableRNGs ─────────────────── v1.0.4 Installed ArrayLayouts ───────────────── v1.12.2 Installed FortranFiles ───────────────── v0.6.2 Installed HTTP ───────────────────────── v1.11.0 Installed BitFlags ───────────────────── v0.1.10 Installed FFMPEG_jll ─────────────────── v8.1.2+0 Installed Xorg_xcb_util_keysyms_jll ──── v0.4.1+0 Installed libfdk_aac_jll ─────────────── v2.0.4+0 Installed MPC_jll ────────────────────── v1.4.1+0 Installed SimpleBufferStream ─────────── v1.2.0 Installed Scratch ────────────────────── v1.3.0 Installed Qt6Svg_jll ─────────────────── v6.10.2+0 Installed BenchmarkTools ─────────────── v1.8.0 Installed Qt6Declarative_jll ─────────── v6.10.2+2 Installed ForwardDiff ────────────────── v1.4.3 Installed LRUCache ───────────────────── v1.6.2 Installed RationalRoots ──────────────── v0.2.1 Installed DocStringExtensions ────────── v0.9.5 Installed WignerSymbols ──────────────── v2.0.0 Installed Plots ──────────────────────── v1.41.6 Installed ZMQ ────────────────────────── v1.5.1 Installed ColorSchemes ───────────────── v3.31.0 Installed SymEngine_jll ──────────────── v0.12.0+0 Installed Ghostscript_jll ────────────── v9.55.1+0 Installed VersionParsing ─────────────── v1.3.0 Installed RelocatableFolders ─────────── v1.0.1 Installed PlutoDependencyExplorer ────── v1.2.2 Installed HalfIntegers ───────────────── v1.6.0 Installed GSL ────────────────────────── v1.0.1 Installed AliasTables ────────────────── v1.1.3 Installed JLFzf ──────────────────────── v0.1.11 Installed ConcurrentUtilities ────────── v2.5.1 Installed HashArrayMappedTries ───────── v0.2.0 Installed RecipesBase ────────────────── v1.3.4 Installed DataAPI ────────────────────── v1.16.0 Installed Cubature ───────────────────── v1.5.1 Installed IteratorInterfaceExtensions ── v1.0.0 Installed FastGaussQuadrature ────────── v1.3.0 Installed Conda ──────────────────────── v1.10.3 Installed Wayland_jll ────────────────── v1.24.0+0 Installed libevdev_jll ───────────────── v1.13.4+0 Installed Xorg_libXi_jll ─────────────── v1.8.3+0 Installed Measures ───────────────────── v0.3.3 Installed StaticArraysCore ───────────── v1.4.4 Installed StaticArrays ───────────────── v1.9.18 Installed Colors ─────────────────────── v0.13.1 Installed SciMLPublic ────────────────── v1.2.4 Installed Latexify ───────────────────── v0.16.11 Installed LogExpFunctions ────────────── v1.0.1 Installed CodeTracking ───────────────── v3.0.2 Installed Libglvnd_jll ───────────────── v1.7.1+1 Installed Xorg_libxkbfile_jll ────────── v1.2.0+0 Installed Xorg_xkbcomp_jll ───────────── v1.4.7+0 Installed Requires ───────────────────── v1.3.1 Installed ColorTypes ─────────────────── v0.12.1 Installed Glib_jll ───────────────────── v2.86.3+0 Installed Gamma ──────────────────────── v1.1.0 Installed Parsers ────────────────────── v2.8.6 Installed Vulkan_Loader_jll ──────────── v1.3.243+0 Installed Xorg_xcb_util_cursor_jll ───── v0.1.6+0 Installed JuliaInterpreter ───────────── v0.11.4 Installed JSON ───────────────────────── v1.6.1 Installed DiffRules ──────────────────── v1.16.0 Installed Xorg_xkeyboard_config_jll ──── v2.47.0+2 Installed libsodium_jll ──────────────── v1.0.21+0 Installed Xorg_xcb_util_renderutil_jll ─ v0.3.10+0 Installed ZeroMQ_jll ─────────────────── v4.3.6+0 Installed Xorg_libSM_jll ─────────────── v1.2.6+0 Installed JLLWrappers ────────────────── v1.8.0 Installed Xorg_libXdmcp_jll ──────────── v1.1.6+0 Installed XZ_jll ─────────────────────── v5.8.3+0 Installed x265_jll ───────────────────── v4.1.0+0 Installed Primes ─────────────────────── v0.5.7 Installed Pango_jll ──────────────────── v1.57.1+0 Installed RecipesPipeline ────────────── v0.6.12 Installed Xorg_xtrans_jll ────────────── v1.6.0+0 Installed IJulia ─────────────────────── v1.34.4 Installed GR_jll ─────────────────────── v0.73.26+0 Installed JpegTurbo_jll ──────────────── v3.2.0+0 Installed HypergeometricFunctions ────── v0.3.29 Installed Dierckx ────────────────────── v0.5.4 Installed Dbus_jll ───────────────────── v1.16.2+0 Installed Libmount_jll ───────────────── v2.42.0+0 Installed Xorg_libX11_jll ────────────── v1.8.13+0 Installed ExceptionUnwrapping ────────── v0.1.11 Installed Compat ─────────────────────── v4.18.1 Installed JLD2 ───────────────────────── v0.5.15 Installed TranscodingStreams ─────────── v0.11.3 Installed GR ─────────────────────────── v0.73.26 Installed PlotUtils ──────────────────── v1.4.4 Installed StatsAPI ───────────────────── v1.8.0 Installed ProgressMeter ──────────────── v1.11.0 Installed MbedTLS ────────────────────── v1.1.10 Installed TensorCore ─────────────────── v0.1.1 Installed Statistics ─────────────────── v1.11.1 Installed ExproniconLite ─────────────── v0.10.14 Installed PrecompileTools ────────────── v1.3.4 Installed GettextRuntime_jll ─────────── v0.22.4+0 Installed xkbcommon_jll ──────────────── v1.13.0+0 Installed OpenSSL ────────────────────── v1.6.1 Installed GLFW_jll ───────────────────── v3.4.1+1 Installed FriBidi_jll ────────────────── v1.0.17+0 Installed Cubature_jll ───────────────── v1.0.5+0 Installed Xorg_xcb_util_image_jll ────── v0.4.1+0 Installed LazilyInitializedFields ────── v1.3.0 Installed LAME_jll ───────────────────── v3.100.3+0 Installed FixedPointNumbers ──────────── v0.8.6 Installed SpecialFunctions ───────────── v2.8.0 Installed libvorbis_jll ──────────────── v1.3.8+0 Installed Xorg_libXrender_jll ────────── v0.9.12+0 Installed PtrArrays ──────────────────── v1.4.0 Installed IfElse ─────────────────────── v0.1.1 Installed FreeType2_jll ──────────────── v2.14.3+1 Installed Libiconv_jll ───────────────── v1.18.0+0 Installed MbedTLS_jll ────────────────── v2.28.1010+0 Installed Xorg_libXext_jll ───────────── v1.3.8+0 Installed Xorg_libXrandr_jll ─────────── v1.5.6+0 Installed Qt6Wayland_jll ─────────────── v6.10.2+1 Installed Showoff ────────────────────── v1.0.3 Installed JenaAtomicCalculator ───────── v0.3.0 Installing 86 artifacts Installed artifact LLVMOpenMP 573.2 KiB Installed artifact libass 361.1 KiB Installed artifact Pango 1.3 MiB Installed artifact Qt6ShaderTools 1.7 MiB Installed artifact MbedTLS 1.0 MiB Installed artifact Xorg_libXinerama 21.7 KiB Installed artifact Xorg_libICE 254.5 KiB Installed artifact Libiconv 1022.9 KiB Installed artifact GettextRuntime 345.6 KiB Installed artifact Xorg_xcb_util_cursor 24.2 KiB Installed artifact Xorg_libXext 187.3 KiB Installed artifact libva 187.1 KiB Installed artifact Xorg_libXfixes 41.4 KiB Installed artifact Pixman 343.0 KiB Installed artifact Qt6Svg 303.6 KiB Installed artifact Expat 255.2 KiB Installed artifact Xorg_libX11 2.3 MiB Installed artifact ZeroMQ 264.5 KiB Installed artifact Bzip2 152.8 KiB Installed artifact Opus 792.2 KiB Installed artifact Xorg_libXrender 174.0 KiB Installed artifact libsodium 862.0 KiB Installed artifact Vulkan_Loader 146.2 KiB Installed artifact Xorg_libXrandr 69.9 KiB Installed artifact Xorg_libXi 500.2 KiB Installed artifact libdrm 304.7 KiB Installed artifact Libuuid 1.9 MiB Installed artifact mtdev 55.5 KiB Installed artifact xkbcommon 252.5 KiB Installed artifact LERC 220.3 KiB Installed artifact Fontconfig 443.8 KiB Installed artifact Xorg_xcb_util_wm 95.5 KiB Installed artifact libpng 234.7 KiB Installed artifact LAME 243.9 KiB Installed artifact Xorg_xcb_util_keysyms 14.3 KiB Installed artifact Xorg_xcb_util_renderutil 22.4 KiB Installed artifact Xorg_xcb_util 26.3 KiB Installed artifact MPC 193.5 KiB Installed artifact Xorg_libSM 104.8 KiB Installed artifact GSL 3.6 MiB Installed artifact eudev 2.3 MiB Installed artifact Dbus 398.5 KiB Installed artifact Libmount 3.4 MiB Installed artifact x264 908.7 KiB Installed artifact libvorbis 226.3 KiB Installed artifact Graphite2 109.8 KiB Installed artifact HarfBuzz 1.2 MiB Installed artifact Libglvnd 482.2 KiB Installed artifact Xorg_libxkbfile 81.0 KiB Installed artifact Xorg_libXau 25.8 KiB Installed artifact libfdk_aac 2.4 MiB Installed artifact FriBidi 67.6 KiB Installed artifact x265 1.1 MiB Installed artifact FFMPEG 10.2 MiB Installed artifact Xorg_xcb_util_image 33.8 KiB Installed artifact Xorg_libxcb 1.3 MiB Installed artifact libevdev 91.2 KiB Installed artifact Libtiff 1.7 MiB Installed artifact Libffi 39.2 KiB Installed artifact Xorg_libXcursor 137.4 KiB Installed artifact Xorg_libpciaccess 23.4 KiB Installed artifact Ogg 213.4 KiB Installed artifact OpenSpecFun 105.4 KiB Installed artifact Dierckx 131.8 KiB Installed artifact FreeType2 1.2 MiB Installed artifact GLFW 159.6 KiB Installed artifact Qt6Wayland 930.6 KiB Installed artifact Xorg_xkeyboard_config 375.9 KiB Installed artifact SymEngine 1.4 MiB Installed artifact Xorg_libXdmcp 49.9 KiB Installed artifact XZ 1018.2 KiB Installed artifact libinput 555.0 KiB Installed artifact JpegTurbo 705.6 KiB Installed artifact libdecor 36.5 KiB Installed artifact Glib 4.2 MiB Installed artifact Wayland 266.5 KiB Installed artifact Xorg_xtrans 39.5 KiB Installed artifact Cairo 1.5 MiB Installed artifact Xorg_xkbcomp 230.5 KiB Installed artifact fzf 3.0 MiB Installed artifact GR 15.1 MiB Installed artifact libaom 3.9 MiB Installed artifact Cubature 9.2 MiB Installed artifact Qt6Base 17.1 MiB Installed artifact Ghostscript 30.0 MiB Installed artifact Qt6Declarative 15.7 MiB Updating `~/.julia/environments/v1.14/Project.toml` [830ae420] + JenaAtomicCalculator v0.3.0 Updating `~/.julia/environments/v1.14/Manifest.toml` [66dad0bd] + AliasTables v1.1.3 [4c555306] + ArrayLayouts v1.12.2 [093aae92] + BSplineKit v0.19.2 [aae01518] + BandedMatrices v1.11.0 [6e4b80f9] + BenchmarkTools v1.8.0 [d1d4a3ce] + BitFlags v0.1.10 [da1fd8a2] + CodeTracking v3.0.2 [944b1d66] + CodecZlib v0.7.8 [35d6a980] + ColorSchemes v3.31.0 [3da002f7] + ColorTypes v0.12.1 [c3611d14] + ColorVectorSpace v0.11.0 [5ae59095] + Colors v0.13.1 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.1.1 [34da2185] + Compat v4.18.1 [807dbc54] + Compiler v0.1.1 [f0e56b4a] + ConcurrentUtilities v2.5.1 [8f4d0f93] + Conda v1.10.3 [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 [39dd38d3] + Dierckx v0.5.4 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.16.0 [ffbed154] + DocStringExtensions v0.9.5 [460bff9d] + ExceptionUnwrapping v0.1.11 [21656369] + ExpressionExplorer v1.1.4 [55351af7] + ExproniconLite v0.10.14 [c87230d0] + FFMPEG v0.4.5 [442a2c76] + FastGaussQuadrature v1.3.0 [5789e2e9] + FileIO v1.20.0 [1a297f60] + FillArrays v1.17.0 ⌅ [53c48c17] + FixedPointNumbers v0.8.6 [1fa38f19] + Format v1.3.7 [c58ffaec] + FortranFiles v0.6.2 [f6369f11] + ForwardDiff v1.4.3 [28b8d3ca] + GR v0.73.26 [92c85e6c] + GSL v1.0.1 [a0844989] + Gamma v1.1.0 [d54b0c1a] + GaussQuadrature v0.5.8 [828d9ff0] + GracefulPkg v2.4.3 [42e2da0e] + Grisu v1.0.2 ⌅ [cd3eb016] + HTTP v1.11.0 [f0d1745a] + HalfIntegers v1.6.0 [076d061b] + HashArrayMappedTries v0.2.0 [34004b35] + HypergeometricFunctions v0.3.29 [ac1192a8] + HypertextLiteral v1.0.0 [7073ff75] + IJulia v1.34.4 [615f187c] + IfElse v0.1.1 [18e54dd8] + IntegerMathUtils v0.1.4 [92d709cd] + IrrationalConstants v0.2.6 [82899510] + IteratorInterfaceExtensions v1.0.0 ⌅ [033835bb] + JLD2 v0.5.15 [1019f520] + JLFzf v0.1.11 [692b3bcd] + JLLWrappers v1.8.0 [682c06a0] + JSON v1.6.1 [830ae420] + JenaAtomicCalculator v0.3.0 [aa1ae85d] + JuliaInterpreter v0.11.4 [8ac3fa9e] + LRUCache v1.6.2 [b964fa9f] + LaTeXStrings v1.4.0 [23fbe1c1] + Latexify v0.16.11 [0e77f7df] + LazilyInitializedFields v1.3.0 [2ab3a3ac] + LogExpFunctions v1.0.1 [e6f89c97] + LoggingExtras v1.2.0 [6f1432cf] + LoweredCodeUtils v3.8.0 [6c6e2e6c] + MIMEs v1.1.0 [1914dd2f] + MacroTools v0.5.16 [36869731] + Malt v1.4.1 [739be429] + MbedTLS v1.1.10 [442fdcdd] + Measures v0.3.3 [e1d29d7a] + Missings v1.2.0 [99f44e22] + MsgPack v1.2.1 [77ba4419] + NaNMath v1.1.4 [4d8831e6] + OpenSSL v1.6.1 ⌅ [bac558e1] + OrderedCollections v1.8.2 [69de0a69] + Parsers v2.8.6 [ccf2f8ad] + PlotThemes v3.3.0 [995b91a9] + PlotUtils v1.4.4 [91a5bcdd] + Plots v1.41.6 ⌅ [c3e4b0f8] + Pluto v0.20.28 [72656b73] + PlutoDependencyExplorer v1.2.2 [91cefc8d] + PrecompileSignatures v3.0.3 [aea7be01] + PrecompileTools v1.3.4 [21216c6a] + Preferences v1.5.2 [27ebfcd6] + Primes v0.5.7 [92933f4c] + ProgressMeter v1.11.0 [43287f4e] + PtrArrays v1.4.0 [1fd47b50] + QuadGK v2.11.3 [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 v3.16.2 [431bcebd] + SciMLPublic v1.2.4 [7e506255] + ScopedValues v1.6.2 [6c6a2e73] + Scratch v1.3.0 [992d4aef] + Showoff v1.0.3 [777ac1f9] + SimpleBufferStream v1.2.0 [a2af1166] + SortingAlgorithms v1.2.3 [276daf66] + SpecialFunctions v2.8.0 [860ef19b] + StableRNGs v1.0.4 [aedffcd0] + Static v1.4.4 [90137ffa] + StaticArrays v1.9.18 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [2913bbd2] + StatsBase v0.34.12 [ec057cc2] + StructUtils v2.8.2 ⌅ [123dc426] + SymEngine v0.12.0 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.13.0 [62fd8b95] + TensorCore v0.1.1 [3bb67fe8] + TranscodingStreams v0.11.3 [410a4b4d] + Tricks v0.1.13 [5c2747f8] + URIs v1.6.1 [1cfade01] + UnicodeFun v0.4.1 [41fe7b60] + Unzip v0.2.0 [81def892] + VersionParsing v1.3.0 [9f57e263] + WignerSymbols v2.0.0 [c2297ded] + ZMQ v1.5.1 [6e34b625] + Bzip2_jll v1.0.9+0 [83423d85] + Cairo_jll v1.18.7+0 [7bc98958] + Cubature_jll v1.0.5+0 [ee1fde0b] + Dbus_jll v1.16.2+0 [cd4c43a9] + Dierckx_jll v0.2.0+0 [2702e6a9] + EpollShim_jll v0.0.20230411+1 [2e619515] + Expat_jll v2.8.2+0 [b22a6f82] + FFMPEG_jll v8.1.2+0 [a3f928ae] + Fontconfig_jll v2.17.1+0 [d7e528f0] + FreeType2_jll v2.14.3+1 [559328eb] + FriBidi_jll v1.0.17+0 [0656b61e] + GLFW_jll v3.4.1+1 [d2c73de3] + GR_jll v0.73.26+0 [1b77fbbe] + GSL_jll v2.8.1+0 ⌅ [b0724c58] + GettextRuntime_jll v0.22.4+0 [61579ee1] + Ghostscript_jll v9.55.1+0 [7746bdde] + Glib_jll v2.86.3+0 [3b182d85] + Graphite2_jll v1.3.16+0 ⌅ [2e76f6c2] + HarfBuzz_jll v8.5.1+0 [aacddb02] + JpegTurbo_jll v3.2.0+0 [c1c5ebd0] + LAME_jll v3.100.3+0 [88015f11] + LERC_jll v4.1.0+0 [1d63c593] + LLVMOpenMP_jll v22.1.7+0 ⌅ [e9f186c6] + Libffi_jll v3.4.7+0 [7e76a0d4] + Libglvnd_jll v1.7.1+1 [94ce4f54] + Libiconv_jll v1.18.0+0 [4b2f31a3] + Libmount_jll v2.42.0+0 [89763e89] + Libtiff_jll v4.7.3+0 [38a345b3] + Libuuid_jll v2.42.0+0 [2ce0c516] + MPC_jll v1.4.1+0 [c8ffd9c3] + MbedTLS_jll v2.28.1010+0 [e7412a2a] + Ogg_jll v1.3.6+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [91d4177d] + Opus_jll v1.6.1+0 [36c8627f] + Pango_jll v1.57.1+0 [30392449] + Pixman_jll v0.46.4+0 [c0090381] + Qt6Base_jll v6.10.2+2 [629bc702] + Qt6Declarative_jll v6.10.2+2 [ce943373] + Qt6ShaderTools_jll v6.10.2+1 [6de9746b] + Qt6Svg_jll v6.10.2+0 [e99dba38] + Qt6Wayland_jll v6.10.2+1 [3428059b] + SymEngine_jll v0.12.0+0 [a44049a8] + Vulkan_Loader_jll v1.3.243+0 [a2964d1f] + Wayland_jll v1.24.0+0 [ffd25f8a] + XZ_jll v5.8.3+0 [f67eecfb] + Xorg_libICE_jll v1.1.2+0 [c834827a] + Xorg_libSM_jll v1.2.6+0 [4f6342f7] + Xorg_libX11_jll v1.8.13+0 [0c0b7dd1] + Xorg_libXau_jll v1.0.13+0 [935fb764] + Xorg_libXcursor_jll v1.2.4+0 [a3789734] + Xorg_libXdmcp_jll v1.1.6+0 [1082639a] + Xorg_libXext_jll v1.3.8+0 [d091e8ba] + Xorg_libXfixes_jll v6.0.2+0 [a51aa0fd] + Xorg_libXi_jll v1.8.3+0 [d1454406] + Xorg_libXinerama_jll v1.1.7+0 [ec84b674] + Xorg_libXrandr_jll v1.5.6+0 [ea2f1a96] + Xorg_libXrender_jll v0.9.12+0 [a65dc6b1] + Xorg_libpciaccess_jll v0.19.0+0 [c7cfdc94] + Xorg_libxcb_jll v1.17.1+0 [cc61e674] + Xorg_libxkbfile_jll v1.2.0+0 [e920d4aa] + Xorg_xcb_util_cursor_jll v0.1.6+0 [12413925] + Xorg_xcb_util_image_jll v0.4.1+0 [2def613f] + Xorg_xcb_util_jll v0.4.1+0 [975044d2] + Xorg_xcb_util_keysyms_jll v0.4.1+0 [0d47668e] + Xorg_xcb_util_renderutil_jll v0.3.10+0 [c22f9ab0] + Xorg_xcb_util_wm_jll v0.4.2+0 [35661453] + Xorg_xkbcomp_jll v1.4.7+0 [33bec58e] + Xorg_xkeyboard_config_jll v2.47.0+2 [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 v3.13.3+0 [0ac62f75] + libass_jll v0.17.4+0 [1183f4f0] + libdecor_jll v0.2.2+0 [8e53e030] + libdrm_jll v2.4.134+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 v1.6.58+0 [a9144af2] + libsodium_jll v1.0.21+0 [9a156e7d] + libva_jll v2.23.0+0 [f27f6e37] + libvorbis_jll v1.3.8+0 [009596ad] + mtdev_jll v1.1.7+0 ⌅ [1270edf5] + x264_jll v10164.0.1+0 [dfaa095f] + x265_jll v4.1.0+0 [d8fb68d0] + xkbcommon_jll v1.13.0+0 [0dad84c5] + ArgTools v1.2.0 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [8bf52ea8] + CRC32c 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 v1.13.0 [b27032c2] + LibCURL v1.0.0 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.14.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.14.0 [de0858da] + Printf v1.11.0 [9abbd945] + Profile v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.13.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.13.0 [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 v1.5.7+0 [781609d7] + GMP_jll v6.3.0+4 [deac9b47] + LibCURL_jll v8.21.0+0 [e37daf67] + LibGit2_jll v1.9.6+0 [29816b5a] + LibSSH2_jll v1.11.103+0 [3a97d323] + MPFR_jll v4.2.2+0 [14a3606d] + MozillaCACerts_jll v2026.7.16 [4536629a] + OpenBLAS_jll v0.3.34+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.7+0 [efcefdf7] + PCRE2_jll v10.47.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.2+0 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.69.0+0 [3f19e933] + p7zip_jll v17.8.0+0 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/8f06b0cfa4c514c7b9546756dbae91fcfbc92dc9/build.log` Building IJulia → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/102656c4efc9737f892e1bca7e66ae374c650740/build.log` Installation completed after 72.86s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling project... 4.0 s ✓ TestEnv 1 dependency successfully precompiled in 4 seconds. 27 already precompiled. Precompiling package dependencies... Precompiling project... 3.7 s ✓ MacroTools 0.5 s ✓ Reexport 0.6 s ✓ TensorCore 2.0 s ✓ IrrationalConstants 0.6 s ✓ Measures 0.5 s ✓ DataValueInterfaces 0.6 s ✓ StatsAPI 0.5 s ✓ LazilyInitializedFields 1.8 s ✓ Format 1.9 s ✓ PrecompileSignatures 0.5 s ✓ VersionParsing 0.6 s ✓ Contour 0.8 s ✓ TranscodingStreams 0.5 s ✓ LaTeXStrings 0.8 s ✓ Statistics 0.5 s ✓ Tricks 0.7 s ✓ StaticArraysCore 0.7 s ✓ StableRNGs 0.5 s ✓ IfElse 0.6 s ✓ LRUCache 0.5 s ✓ PtrArrays 0.5 s ✓ SimpleBufferStream 0.7 s ✓ HalfIntegers 0.8 s ✓ FortranFiles 1.0 s ✓ Grisu 0.6 s ✓ DataAPI 0.5 s ✓ SciMLPublic 3.3 s ✓ ExproniconLite 0.6 s ✓ CommonWorldInvalidations 0.9 s ✓ URIs 0.6 s ✓ BitFlags 2.3 s ✓ FillArrays 0.8 s ✓ IntegerMathUtils 0.6 s ✓ RationalRoots 3.0 s ✓ MIMEs 1.0 s ✓ OrderedCollections 0.7 s ✓ HashArrayMappedTries 0.8 s ✓ DocStringExtensions 0.8 s ✓ Unzip 1.0 s ✓ Gamma 1.4 s ✓ Compiler 1.1 s ✓ ExpressionExplorer 0.5 s ✓ IteratorInterfaceExtensions 0.6 s ✓ NaNMath 0.8 s ✓ Requires 1.1 s ✓ ConcurrentUtilities 1.1 s ✓ MsgPack 2.2 s ✓ ProgressMeter 0.9 s ✓ DelimitedFiles 1.1 s ✓ Scratch 1.2 s ✓ LoggingExtras 1.4 s ✓ StructUtils 0.8 s ✓ Compat 1.2 s ✓ Preferences 1.3 s ✓ ExceptionUnwrapping 3.5 s ✓ UnicodeFun 2.9 s ✓ CodeTracking 1.0 s ✓ CommonSubexpressions 3.8 s ✓ RegistryInstances 1.3 s ✓ CodecZlib 1.1 s ✓ Statistics → SparseArraysExt 2.7 s ✓ FixedPointNumbers 0.7 s ✓ HypertextLiteral 0.5 s ✓ DiffResults 0.5 s ✓ LRUCache → SerializationExt 0.6 s ✓ AliasTables 0.7 s ✓ Showoff 0.8 s ✓ Missings 3.5 s ✓ OpenSSL 1.3 s ✓ FillArrays → FillArraysSparseArraysExt 0.7 s ✓ FillArrays → FillArraysStatisticsExt 0.7 s ✓ Primes 4.1 s ✓ Configurations 0.7 s ✓ ScopedValues 1.2 s ✓ LogExpFunctions 1.2 s ✓ HypergeometricFunctions 1.0 s ✓ PlutoDependencyExplorer 0.4 s ✓ TableTraits 5.8 s ✓ FileIO 0.7 s ✓ RelocatableFolders 0.6 s ✓ StructUtils → StructUtilsStaticArraysCoreExt 0.7 s ✓ Compat → CompatLinearAlgebraExt 1.0 s ✓ PrecompileTools 0.8 s ✓ JLLWrappers 8.7 s ✓ JuliaInterpreter 1.8 s ✓ ColorTypes 1.9 s ✓ WignerSymbols 1.1 s ✓ Tables 2.8 s ✓ Malt 4.2 s ✓ GracefulPkg 4.5 s ✓ DataStructures 13.9 s ✓ StaticArrays 3.3 s ✓ RecipesBase 9.6 s ✓ Parsers 2.0 s ✓ Static 49.4 s ✓ JLD2 1.8 s ✓ GSL_jll 1.6 s ✓ Libffi_jll 1.3 s ✓ Xorg_libICE_jll 1.0 s ✓ eudev_jll 1.1 s ✓ mtdev_jll 1.5 s ✓ libsodium_jll 1.5 s ✓ Bzip2_jll 1.1 s ✓ XZ_jll 1.0 s ✓ OpenSpecFun_jll 1.0 s ✓ Xorg_xtrans_jll 1.3 s ✓ Opus_jll 1.2 s ✓ Cubature_jll 1.2 s ✓ x265_jll 1.1 s ✓ fzf_jll 1.1 s ✓ libpng_jll 1.1 s ✓ Dierckx_jll 1.0 s ✓ EpollShim_jll 1.0 s ✓ Libmount_jll 1.2 s ✓ libfdk_aac_jll 1.0 s ✓ Libuuid_jll 1.1 s ✓ FriBidi_jll 1.0 s ✓ LERC_jll 1.1 s ✓ Xorg_libXau_jll 1.0 s ✓ Ogg_jll 1.1 s ✓ libevdev_jll 1.1 s ✓ LAME_jll 1.1 s ✓ Graphite2_jll 1.3 s ✓ x264_jll 1.1 s ✓ Xorg_libpciaccess_jll 1.2 s ✓ LLVMOpenMP_jll 1.2 s ✓ Libiconv_jll 1.2 s ✓ MbedTLS_jll 1.0 s ✓ libaom_jll 1.0 s ✓ Xorg_libXdmcp_jll 1.4 s ✓ Expat_jll 1.5 s ✓ JpegTurbo_jll 1.2 s ✓ MPC_jll 23.9 s ✓ LoweredCodeUtils 1.1 s ✓ ColorTypes → StyledStringsExt 5.4 s ✓ Colors 1.9 s ✓ ColorVectorSpace 0.8 s ✓ StructUtils → StructUtilsTablesExt 1.2 s ✓ SortingAlgorithms 2.5 s ✓ QuadGK 1.4 s ✓ StaticArrays → StaticArraysStatisticsExt 2.0 s ✓ FillArrays → FillArraysStaticArraysExt 6.7 s ✓ JSON 15.7 s ✓ GSL 1.1 s ✓ Xorg_libSM_jll 1.1 s ✓ ZeroMQ_jll 1.1 s ✓ FreeType2_jll 5.1 s ✓ SpecialFunctions 0.8 s ✓ Cubature 2.4 s ✓ JLFzf 1.2 s ✓ Dierckx 1.1 s ✓ libvorbis_jll 1.1 s ✓ libinput_jll 1.6 s ✓ libdrm_jll 1.1 s ✓ Pixman_jll 1.2 s ✓ GettextRuntime_jll 1.8 s ✓ MbedTLS 1.2 s ✓ Xorg_libxcb_jll 1.4 s ✓ Dbus_jll 1.2 s ✓ Wayland_jll 1.2 s ✓ Ghostscript_jll 1.2 s ✓ Libtiff_jll 1.2 s ✓ SymEngine_jll 7.9 s ✓ Revise 9.4 s ✓ ColorSchemes 5.1 s ✓ StatsBase 23.2 s ✓ ArrayLayouts 1.8 s ✓ Conda 11.3 s ✓ BenchmarkTools 5.5 s ✓ ZMQ 1.6 s ✓ Fontconfig_jll 3.9 s ✓ FastGaussQuadrature 1.4 s ✓ GaussQuadrature 1.1 s ✓ DiffRules 1.5 s ✓ ColorVectorSpace → SpecialFunctionsExt 1.2 s ✓ Glib_jll 26.0 s ✓ HTTP 1.2 s ✓ Xorg_xcb_util_jll 1.3 s ✓ Xorg_libX11_jll 6.1 s ✓ Latexify 3.6 s ✓ SymEngine 4.7 s ✓ Revise → DistributedExt 22.3 s ✓ PlotUtils 29.0 s ✓ BandedMatrices 4.3 s ✓ ArrayLayouts → ArrayLayoutsSparseArraysExt 18.9 s ✓ IJulia 7.3 s ✓ ForwardDiff 5.9 s ✓ FileIO → HTTPExt 33.6 s ✓ Pluto 1.0 s ✓ Xorg_xcb_util_renderutil_jll 0.8 s ✓ Xorg_xcb_util_wm_jll 0.8 s ✓ Xorg_xcb_util_image_jll 0.9 s ✓ Xorg_xcb_util_keysyms_jll 0.8 s ✓ Xorg_libXfixes_jll 0.9 s ✓ Xorg_libXrender_jll 0.9 s ✓ Xorg_libXext_jll 0.9 s ✓ Xorg_libxkbfile_jll 2.4 s ✓ Latexify → SparseArraysExt 2.2 s ✓ Latexify → SymEngineExt 10.3 s ✓ PlotThemes 8.7 s ✓ RecipesPipeline 5.4 s ✓ BandedMatrices → BandedMatricesSparseArraysExt 29.0 s ✓ IJulia → IJuliaReviseExt 1.8 s ✓ ForwardDiff → ForwardDiffStaticArraysExt 1.3 s ✓ Xorg_xcb_util_cursor_jll 1.1 s ✓ Xorg_libXcursor_jll 1.2 s ✓ Xorg_libXrandr_jll 1.6 s ✓ Xorg_libXinerama_jll 1.1 s ✓ Xorg_libXi_jll 1.5 s ✓ Cairo_jll 1.2 s ✓ libva_jll 1.2 s ✓ Libglvnd_jll 1.1 s ✓ Xorg_xkbcomp_jll 24.8 s ✓ BSplineKit 1.7 s ✓ HarfBuzz_jll 1.7 s ✓ Xorg_xkeyboard_config_jll 1.4 s ✓ libass_jll 1.9 s ✓ Pango_jll 1.1 s ✓ xkbcommon_jll 1.7 s ✓ FFMPEG_jll 1.3 s ✓ Vulkan_Loader_jll 1.4 s ✓ libdecor_jll 1.0 s ✓ FFMPEG 1.3 s ✓ Qt6Base_jll 1.5 s ✓ GLFW_jll 1.4 s ✓ Qt6ShaderTools_jll 1.5 s ✓ Qt6Svg_jll 1.4 s ✓ GR_jll 1.4 s ✓ Qt6Declarative_jll 1.8 s ✓ Qt6Wayland_jll 5.5 s ✓ GR 4.3 s ✓ GR → IJuliaExt 121.1 s ✓ Plots 18.8 s ✓ Plots → FileIOExt 12.2 s ✓ Plots → IJuliaExt Welcome to JenaAtomicCalculator (JAC): A community approach to the computation of atomic structures, cascades and time evolutions [(C) Copyright by Stephan Fritzsche, Jena (2018-2025)]. 44.8 s ✓ JenaAtomicCalculator 236 dependencies successfully precompiled in 911 seconds. 41 already precompiled. 1 dependency had output during precompilation: ┌ JenaAtomicCalculator │ Welcome to JenaAtomicCalculator (JAC): A community approach to the computation of atomic structures, cascades and time evolutions [(C) Copyright by Stephan Fritzsche, Jena (2018-2025)]. └ Precompilation completed after 902.17s ################################################################################ # Testing # Testing JenaAtomicCalculator Status `/tmp/jl_uBDieq/Project.toml` [093aae92] BSplineKit v0.19.2 [6e4b80f9] BenchmarkTools v1.8.0 [667455a9] Cubature v1.5.1 ⌅ [864edb3b] DataStructures v0.18.22 [8bb1440f] DelimitedFiles v1.9.1 [39dd38d3] Dierckx v0.5.4 [442a2c76] FastGaussQuadrature v1.3.0 [c58ffaec] FortranFiles v0.6.2 [92c85e6c] GSL v1.0.1 [d54b0c1a] GaussQuadrature v0.5.8 [34004b35] HypergeometricFunctions v0.3.29 [7073ff75] IJulia v1.34.4 ⌅ [033835bb] JLD2 v0.5.15 [830ae420] JenaAtomicCalculator v0.3.0 [1914dd2f] MacroTools v0.5.16 [91a5bcdd] Plots v1.41.6 ⌅ [c3e4b0f8] Pluto v0.20.28 [92933f4c] ProgressMeter v1.11.0 [1fd47b50] QuadGK v2.11.3 [3cdcf5f2] RecipesBase v1.3.4 [295af30f] Revise v3.16.2 [276daf66] SpecialFunctions v2.8.0 ⌅ [123dc426] SymEngine v0.12.0 [9f57e263] WignerSymbols v2.0.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [37e2e46d] LinearAlgebra v1.14.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_uBDieq/Manifest.toml` [66dad0bd] AliasTables v1.1.3 [4c555306] ArrayLayouts v1.12.2 [093aae92] BSplineKit v0.19.2 [aae01518] BandedMatrices v1.11.0 [6e4b80f9] BenchmarkTools v1.8.0 [d1d4a3ce] BitFlags v0.1.10 [da1fd8a2] CodeTracking v3.0.2 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.31.0 [3da002f7] ColorTypes v0.12.1 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.1 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.1.1 [34da2185] Compat v4.18.1 [807dbc54] Compiler v0.1.1 [f0e56b4a] ConcurrentUtilities v2.5.1 [8f4d0f93] Conda v1.10.3 [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 [39dd38d3] Dierckx v0.5.4 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.16.0 [ffbed154] DocStringExtensions v0.9.5 [460bff9d] 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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] ... (Re-) Define the standard grid with 392 grid points. >>> 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 -9.06949401e-01 -8.89331258e-01 -1.94257185e-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 -4.75787661e-08 2 3p_1/2 -3.55860352e+00 -3.55858988e+00 -3.83149941e-06 3 4p_1/2 -2.00142216e+00 -2.00138659e+00 -1.77697464e-05 4 5p_1/2 -1.28084290e+00 -1.28074263e+00 -7.82857264e-05 5 6p_1/2 -8.89800349e-01 -8.89331258e-01 -5.27187714e-04 6 7p_1/2 -6.52074683e-01 -6.53345470e-01 +1.94883585e-03 7 8p_1/2 -6.26517293e-01 -5.00193270e-01 -2.01628948e-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 -6.80358274e-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 ----------------------------------------------------------------------------- >> (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.] = -3.8058495e-01; self-cons'cy = 9.0927e-01 [1.0000e+02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.8258231e-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.] = -2.0724761e+01; self-cons'cy = 1.8649e-01 [1.1237e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.9263570e+00; self-cons'cy = 9.9566e-01 [1.1237e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8303757e-01; self-cons'cy = 1.4699e-01 [1.0281e+00 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.5120529e-01; self-cons'cy = 6.7615e-01 [1.8860e+00 for sym-block kappa = -2] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -1.8681228e+01; self-cons'cy = 5.1858e-02 [1.2316e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.5476012e-01; self-cons'cy = 3.8531e-01 [1.2316e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -4.2635901e-01; self-cons'cy = 2.0203e-01 [2.0203e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.7834732e-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.] = -1.8477813e+01; self-cons'cy = 5.4742e-03 [1.0085e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2652129e-01; self-cons'cy = 8.1098e-02 [1.0085e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.1956395e-01; self-cons'cy = 3.2015e-01 [3.2015e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8692373e-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 [1.0404e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.7408327e-01; self-cons'cy = 9.2191e-02 [1.0404e+00 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.1025819e-01; self-cons'cy = 1.7118e-01 [1.7118e-01 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.7227527e-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.] = -1.8688307e+01; self-cons'cy = 3.8761e-03 [7.2290e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1675970e-01; self-cons'cy = 3.3902e-02 [7.2290e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.9606169e-01; self-cons'cy = 2.3414e-02 [2.3414e-02 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.9927164e-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 = 9.5417e-05 [5.8812e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1261996e-01; self-cons'cy = 2.5407e-03 [5.8812e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8142948e-01; self-cons'cy = 2.5338e-02 [2.5338e-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 = 9.9824e-04 [6.4967e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2855753e-01; self-cons'cy = 9.7111e-03 [6.4967e-01 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.9319562e-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 [2.6188e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.1964549e-01; self-cons'cy = 5.4071e-03 [2.6188e-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.] = -2.8943571e-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 [2.1576e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2135020e-01; self-cons'cy = 1.0388e-03 [2.1576e-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 = 5.8445e-05 [5.4669e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2237311e-01; self-cons'cy = 6.2231e-04 [5.4669e-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 = 9.2596e-04 [9.2596e-04 for sym-block kappa = -2] Iteration 12 for symmetries ... 1s_1/2:: en [a.u.] = -1.8704442e+01; self-cons'cy = 6.5599e-05 [3.7819e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2135765e-01; self-cons'cy = 6.1778e-04 [3.7819e-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 = 9.3764e-05 [9.3764e-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 [1.0419e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2173436e-01; self-cons'cy = 2.2927e-04 [1.0419e-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 = 5.5906e-07 [2.5901e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2174232e-01; self-cons'cy = 4.8478e-06 [2.5901e-03 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8969094e-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 = 5.7401e-06 [3.9843e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2164980e-01; self-cons'cy = 5.6302e-05 [3.9843e-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 [4.0302e-05 for sym-block kappa = -2] Iteration 16 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705319e+01; self-cons'cy = 3.6099e-06 [1.8136e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2170403e-01; self-cons'cy = 3.3002e-05 [1.8136e-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 [2.2275e-05 for sym-block kappa = -2] Iteration 17 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705287e+01; self-cons'cy = 8.5277e-07 [1.7120e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169268e-01; self-cons'cy = 6.9059e-06 [1.7120e-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.] = -1.8705275e+01; self-cons'cy = 3.2292e-07 [3.1791e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2168694e-01; self-cons'cy = 3.4918e-06 [3.1791e-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 = 5.8886e-06 [4.1929e-05 for sym-block kappa = -2] Iteration 19 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705289e+01; self-cons'cy = 3.9412e-07 [2.3249e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169306e-01; self-cons'cy = 3.7230e-06 [2.3249e-04 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964205e-01; self-cons'cy = 6.3253e-06 [6.3253e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830646e-01; self-cons'cy = 3.9733e-07 [4.4020e-05 for sym-block kappa = -2] Iteration 20 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705283e+01; self-cons'cy = 1.6375e-07 [6.6956e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169069e-01; self-cons'cy = 1.4442e-06 [6.6956e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964143e-01; self-cons'cy = 1.0622e-06 [1.0622e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830739e-01; self-cons'cy = 1.6108e-06 [1.3108e-05 for sym-block kappa = -2] Iteration 21 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705283e+01; self-cons'cy = 7.5598e-09 [1.3480e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169070e-01; self-cons'cy = 9.1833e-09 [1.3480e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964095e-01; self-cons'cy = 8.2777e-07 [8.2777e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830688e-01; self-cons'cy = 8.8387e-07 [4.3184e-05 for sym-block kappa = -2] Iteration 22 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705285e+01; self-cons'cy = 3.3515e-08 [2.3732e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169125e-01; self-cons'cy = 3.3042e-07 [2.3732e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964139e-01; self-cons'cy = 7.4887e-07 [7.4887e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830697e-01; self-cons'cy = 1.6101e-07 [3.6199e-05 for sym-block kappa = -2] Iteration 23 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705284e+01; self-cons'cy = 2.2073e-08 [1.1236e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169091e-01; self-cons'cy = 2.0241e-07 [1.1236e-05 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964124e-01; self-cons'cy = 2.6136e-07 [2.6136e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830703e-01; self-cons'cy = 1.0805e-07 [7.2311e-06 for sym-block kappa = -2] Iteration 24 for symmetries ... 1s_1/2:: en [a.u.] = -1.8705284e+01; self-cons'cy = 5.5826e-09 [1.3252e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -8.2169099e-01; self-cons'cy = 4.5802e-08 [1.3252e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -2.8964123e-01; self-cons'cy = 1.5808e-08 [5.2659e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -2.8830697e-01; self-cons'cy = 1.0293e-07 [3.4020e-06 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 2 x 2 for the symmetry 2^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 2 + -7.484772830474e+01 -2.036710427620e+03 -2.036710427620e+03 0.000000000e+00 0.000000000e+00 2 1 + -7.484696566564e+01 -2.036689675154e+03 -2.036689675154e+03 2.075246676e-02 2.075246676e-02 3 0 + -7.484659191289e+01 -2.036679504823e+03 -2.036679504823e+03 1.017033053e-02 3.092279730e-02 4 2 + -7.477019410429e+01 -2.034600614562e+03 -2.034600614562e+03 2.078890261e+00 2.109813058e+00 5 0 + -7.465447013823e+01 -2.031451605050e+03 -2.031451605050e+03 3.149009512e+00 5.258822570e+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 2 x 2 for the symmetry 2^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 2 + -7.484772830474e+01 -2.036710427620e+03 -2.036710427620e+03 0.000000000e+00 0.000000000e+00 2 1 + -7.484696566564e+01 -2.036689675154e+03 -2.036689675154e+03 2.075246676e-02 2.075246676e-02 3 0 + -7.484659191289e+01 -2.036679504823e+03 -2.036679504823e+03 1.017033053e-02 3.092279730e-02 4 2 + -7.477019410429e+01 -2.034600614562e+03 -2.034600614562e+03 2.078890261e+00 2.109813058e+00 5 0 + -7.465447013823e+01 -2.031451605050e+03 -2.031451605050e+03 3.149009512e+00 5.258822570e+00 testRepresentation_MeanFieldBasis_CiExpansion():: [OK] (Re-) Define the standard grid with 392 grid points. >>> 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 -7.74269252e-05 5 5s_1/2 -3.20136366e-01 -3.20046366e-01 -2.81131542e-04 6 6s_1/2 -2.25879477e-01 -2.22249843e-01 -1.60688947e-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 ----------------------------------------------------------------------------- >> (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.] = -4.2214416e+00; self-cons'cy = 1.8144e-01 [1.1174e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.2853225e-01; self-cons'cy = 9.0826e-01 [1.1174e+00 for sym-block kappa = -1] Iteration 3 for symmetries ... 1s_1/2:: en [a.u.] = -3.6476974e+00; self-cons'cy = 7.2911e-02 [1.1152e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3016460e-01; self-cons'cy = 4.3246e-01 [1.1152e+00 for sym-block kappa = -1] Iteration 4 for symmetries ... 1s_1/2:: en [a.u.] = -3.8485931e+00; self-cons'cy = 2.6799e-02 [1.1653e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.8645179e-01; self-cons'cy = 1.7778e-01 [1.1653e+00 for sym-block kappa = -1] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -3.7725132e+00; self-cons'cy = 9.9828e-03 [1.1364e+00 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6396375e-01; self-cons'cy = 6.4175e-02 [1.1364e+00 for sym-block kappa = -1] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -3.8009422e+00; self-cons'cy = 3.7538e-03 [1.2575e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.7220394e-01; self-cons'cy = 2.4512e-02 [1.2575e-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 [7.7245e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6907502e-01; self-cons'cy = 9.1682e-03 [7.7245e-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 [2.1096e-02 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.7024752e-01; self-cons'cy = 3.4554e-03 [2.1096e-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 [8.7087e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6980600e-01; self-cons'cy = 1.2984e-03 [8.7087e-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 [3.1515e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6997195e-01; self-cons'cy = 4.8839e-04 [3.1515e-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 [1.2007e-03 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6990953e-01; self-cons'cy = 1.8363e-04 [1.2007e-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 [4.4897e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6993300e-01; self-cons'cy = 6.9055e-05 [4.4897e-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 [1.6983e-04 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992418e-01; self-cons'cy = 2.5966e-05 [1.6983e-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 [6.4011e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992749e-01; self-cons'cy = 9.7642e-06 [6.4011e-05 for sym-block kappa = -1] Iteration 15 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931584e+00; self-cons'cy = 5.6367e-07 [2.3022e-05 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992625e-01; self-cons'cy = 3.6716e-06 [2.3022e-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 [8.2157e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992672e-01; self-cons'cy = 1.3807e-06 [8.2157e-06 for sym-block kappa = -1] Iteration 17 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931594e+00; self-cons'cy = 7.9706e-08 [3.9223e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992654e-01; self-cons'cy = 5.1918e-07 [3.9223e-06 for sym-block kappa = -1] Iteration 18 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931597e+00; self-cons'cy = 2.9973e-08 [2.6997e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992661e-01; self-cons'cy = 1.9523e-07 [2.6997e-06 for sym-block kappa = -1] Iteration 19 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931596e+00; self-cons'cy = 1.1275e-08 [2.6602e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992658e-01; self-cons'cy = 7.3402e-08 [2.6602e-06 for sym-block kappa = -1] Iteration 20 for symmetries ... 1s_1/2:: en [a.u.] = -3.7931596e+00; self-cons'cy = 4.2405e-09 [4.0151e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.6992659e-01; self-cons'cy = 2.7611e-08 [4.0151e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.457046945229e+01 -3.964826687589e+02 -3.964826687589e+02 0.000000000e+00 0.000000000e+00 >> (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 -7.74269252e-05 5 5s_1/2 -3.20136366e-01 -3.20046366e-01 -2.81131542e-04 6 6s_1/2 -2.25879477e-01 -2.22249843e-01 -1.60688947e-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 -4.91030123e-08 2 3p_1/2 -8.89081795e-01 -8.89078304e-01 -3.92629513e-06 3 4p_1/2 -5.00096724e-01 -5.00086566e-01 -2.03124403e-05 4 5p_1/2 -3.20065208e-01 -3.20046366e-01 -5.88693317e-05 5 6p_1/2 -2.22291131e-01 -2.22249843e-01 -1.85735971e-04 6 7p_1/2 -1.62728742e-01 -1.63283055e-01 +3.40636217e-03 7 8p_1/2 -1.58069649e-01 -1.25012068e-01 -2.09133003e-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 -8.88957966e-01 -8.88952009e-01 -6.70156702e-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 -7.04708976e-07 2 4d_3/2 -5.00036446e-01 -5.00033286e-01 -6.31968642e-06 3 5d_3/2 -3.20014801e-01 -3.20019087e-01 +1.33927283e-05 4 6d_3/2 -2.22148336e-01 -2.22234057e-01 +3.85873793e-04 5 7d_3/2 -1.62874058e-01 -1.63273114e-01 +2.45009054e-03 6 8d_3/2 -1.39476509e-01 -1.25005409e-01 -1.03752959e-01 7 9d_3/2 -1.18763832e-01 -9.87693283e-02 -1.68355155e-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 -8.88911102e-01 -8.88909927e-01 -1.32084842e-06 2 4d_5/2 -5.00036275e-01 -5.00015532e-01 -4.14825424e-05 3 5d_5/2 -3.20146955e-01 -3.20009998e-01 -4.27795659e-04 4 6d_5/2 -2.40808045e-01 -2.22228797e-01 -7.71537679e-02 5 7d_5/2 -2.21129918e-01 -1.63269801e-01 -2.61656664e-01 6 8d_5/2 -1.61821810e-01 -1.25003190e-01 -2.27525696e-01 7 9d_5/2 -1.20254082e-01 -9.87677697e-02 -1.78674286e-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 -1.26027591e-06 2 5f_5/2 -3.20007905e-01 -3.20009998e-01 +6.53981285e-06 3 6f_5/2 -2.22184025e-01 -2.22228797e-01 +2.01507634e-04 4 7f_5/2 -1.63262528e-01 -1.63269801e-01 +4.45522663e-05 5 8f_5/2 -1.30787217e-01 -1.25003190e-01 -4.42247174e-02 6 9f_5/2 -1.12855692e-01 -9.87677697e-02 -1.24831298e-01 7 10f_5/2 -8.59981875e-02 -8.00017609e-02 -6.97273599e-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 -5.00009874e-01 -5.00006657e-01 -6.43548655e-06 2 5f_7/2 -3.20047093e-01 -3.20005453e-01 -1.30106622e-04 3 6f_7/2 -2.22846577e-01 -2.22226167e-01 -2.78402551e-03 4 7f_7/2 -1.88956253e-01 -1.63268145e-01 -1.35947382e-01 5 8f_7/2 -1.59439421e-01 -1.25002080e-01 -2.15990126e-01 6 9f_7/2 -1.18671120e-01 -9.87669905e-02 -1.67725137e-01 7 10f_7/2 -8.75664896e-02 -8.00011929e-02 -8.63948844e-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. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.457486690109e+01 -3.966023294357e+02 -3.966023294357e+02 0.000000000e+00 0.000000000e+00 2 0 + -1.327725906519e+01 -3.612926217104e+02 -3.612926217104e+02 3.530970773e+01 3.530970773e+01 3 0 + -1.306162304244e+01 -3.554248666555e+02 -3.554248666555e+02 5.867755055e+00 4.117746278e+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. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.472659268281e+01 -4.007309982513e+02 -4.007309982513e+02 0.000000000e+00 0.000000000e+00 2 0 + -1.432514797182e+01 -3.898071312548e+02 -3.898071312548e+02 1.092386700e+01 1.092386700e+01 3 0 + -1.422751079029e+01 -3.871502882183e+02 -3.871502882183e+02 2.656843036e+00 1.358071003e+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. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.475408016165e+01 -4.014789706486e+02 -4.014789706486e+02 0.000000000e+00 0.000000000e+00 2 0 + -1.442712148842e+01 -3.925819719789e+02 -3.925819719789e+02 8.896998670e+00 8.896998670e+00 3 0 + -1.433723571115e+01 -3.901360553958e+02 -3.901360553958e+02 2.445916583e+00 1.134291525e+01 testRepresentation_RasExpansion():: [OK] (Re-) Define the standard grid with 392 grid points. >>> 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 -9.06949401e-01 -8.89331258e-01 -1.94257185e-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 ----------------------------------------------------------------------------- >> (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 [1.0124e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.5471470e+00; self-cons'cy = 3.1762e-08 [1.0124e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -6.422556030935e+01 -1.747666513929e+03 -1.747666513929e+03 0.000000000e+00 0.000000000e+00 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 configurations: ------------------------------------------------------------------------------------- (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 +7.61222018e-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 -3.87430007e-01 -8.89331258e-01 +1.29546303e+00 7 7s_1/2 -3.58963933e-01 -6.53345470e-01 +8.20086670e-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 +9.45374346e-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 +9.45183128e-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 +1.35014269e+00 5 6p_3/2 -4.23360658e-01 -8.89078304e-01 +1.10004942e+00 6 7p_3/2 -3.71101681e-01 -6.53186184e-01 +7.60127255e-01 7 8p_3/2 -2.71051851e-01 -5.00086566e-01 +8.44984876e-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 -5.27873620e-01 -1.28030549e+00 +1.42540155e+00 4 6d_3/2 -3.63465333e-01 -8.89078304e-01 +1.44611583e+00 5 7d_3/2 -2.67208817e-01 -6.53186184e-01 +1.44447841e+00 6 8d_3/2 -2.04715400e-01 -5.00086566e-01 +1.44283804e+00 7 9d_3/2 -1.74208789e-01 -3.95124084e-01 +1.26810649e+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 +1.42509724e+00 4 6d_5/2 -4.09437202e-01 -8.88994098e-01 +1.17125873e+00 5 7d_5/2 -3.61879469e-01 -6.53133157e-01 +8.04836176e-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 -1.23734174e+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 -2.50435023e+01 true 4p_1/2 true -8.73026708e-01 -2.37562668e+01 true 4p_3/2 true -8.72722229e-01 -2.37479815e+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 -5.27873620e-01 -1.43641728e+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]: -64.08035907611095 ... -38.742726240370494 Channel with 3/2 + symmetry, 15 levels and energies [Hartree]: -61.01568947707693 ... -38.70554662858103 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 (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.5415e-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 [3.3192e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506957e+01; self-cons'cy = 7.3361e-09 [3.3192e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087130e+01; self-cons'cy = 5.4717e-09 [1.5591e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411723e+01; self-cons'cy = 3.1403e-09 [1.9273e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -4.981534059988e+02 -1.355544462781e+04 -1.355544462781e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -4.977445256232e+02 -1.354431842608e+04 -1.354431842608e+04 1.112620173e+01 1.112620173e+01 3 3/2 - -4.975618493006e+02 -1.353934755014e+04 -1.353934755014e+04 4.970875932e+00 1.609707767e+01 4 5/2 - -4.971293943877e+02 -1.352757985257e+04 -1.352757985257e+04 1.176769757e+01 2.786477524e+01 5 1/2 - -4.962326644484e+02 -1.350317858804e+04 -1.350317858804e+04 2.440126454e+01 5.226603977e+01 6 3/2 - -4.958583683059e+02 -1.349299347122e+04 -1.349299347122e+04 1.018511682e+01 6.245115659e+01 7 1/2 + -4.956038652098e+02 -1.348606808923e+04 -1.348606808923e+04 6.925381992e+00 6.937653858e+01 8 1/2 - -4.953367084327e+02 -1.347879838304e+04 -1.347879838304e+04 7.269706189e+00 7.664624477e+01 9 3/2 + -4.953007557741e+02 -1.347782006137e+04 -1.347782006137e+04 9.783216726e-01 7.762456644e+01 10 3/2 - -4.952240133296e+02 -1.347573179308e+04 -1.347573179308e+04 2.088268282e+00 7.971283473e+01 11 5/2 + -4.950240520707e+02 -1.347029057008e+04 -1.347029057008e+04 5.441223004e+00 8.515405773e+01 12 3/2 + -4.943484791259e+02 -1.345190729390e+04 -1.345190729390e+04 1.838327619e+01 1.035373339e+02 13 1/2 + -4.942758899554e+02 -1.344993204195e+04 -1.344993204195e+04 1.975251941e+00 1.055125859e+02 14 5/2 + -4.940848936652e+02 -1.344473476817e+04 -1.344473476817e+04 5.197273781e+00 1.107098596e+02 15 3/2 + -4.936128262655e+02 -1.343188915993e+04 -1.343188915993e+04 1.284560824e+01 1.235554679e+02 16 1/2 + -4.928878067743e+02 -1.341216037469e+04 -1.341216037469e+04 1.972878525e+01 1.432842531e+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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.5415e-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 [3.3192e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.4506957e+01; self-cons'cy = 7.3361e-09 [3.3192e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.3087130e+01; self-cons'cy = 5.4717e-09 [1.5591e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.2411723e+01; self-cons'cy = 3.1403e-09 [1.9273e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 3 x 3 for the symmetry 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -4.981534059988e+02 -1.355544462781e+04 -1.355544462781e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -4.977445256232e+02 -1.354431842608e+04 -1.354431842608e+04 1.112620173e+01 1.112620173e+01 3 3/2 - -4.975618493006e+02 -1.353934755014e+04 -1.353934755014e+04 4.970875932e+00 1.609707767e+01 4 5/2 - -4.971293943877e+02 -1.352757985257e+04 -1.352757985257e+04 1.176769757e+01 2.786477524e+01 5 1/2 - -4.962326644484e+02 -1.350317858804e+04 -1.350317858804e+04 2.440126454e+01 5.226603977e+01 6 3/2 - -4.958583683059e+02 -1.349299347122e+04 -1.349299347122e+04 1.018511682e+01 6.245115659e+01 7 1/2 + -4.956038652098e+02 -1.348606808923e+04 -1.348606808923e+04 6.925381992e+00 6.937653858e+01 8 1/2 - -4.953367084327e+02 -1.347879838304e+04 -1.347879838304e+04 7.269706189e+00 7.664624477e+01 9 3/2 + -4.953007557741e+02 -1.347782006137e+04 -1.347782006137e+04 9.783216726e-01 7.762456644e+01 10 3/2 - -4.952240133296e+02 -1.347573179308e+04 -1.347573179308e+04 2.088268282e+00 7.971283473e+01 11 5/2 + -4.950240520707e+02 -1.347029057008e+04 -1.347029057008e+04 5.441223004e+00 8.515405773e+01 12 3/2 + -4.943484791259e+02 -1.345190729390e+04 -1.345190729390e+04 1.838327619e+01 1.035373339e+02 13 1/2 + -4.942758899554e+02 -1.344993204195e+04 -1.344993204195e+04 1.975251941e+00 1.055125859e+02 14 5/2 + -4.940848936652e+02 -1.344473476817e+04 -1.344473476817e+04 5.197273781e+00 1.107098596e+02 15 3/2 + -4.936128262655e+02 -1.343188915993e+04 -1.343188915993e+04 1.284560824e+01 1.235554679e+02 16 1/2 + -4.928878067743e+02 -1.341216037469e+04 -1.341216037469e+04 1.972878525e+01 1.432842531e+02 Weak-charge and Schiff-moment amplitudes: Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 2.72251e-02 5.44502e-02 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. 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Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 1 [1/2+] > = 2.72251205e-025.44502410e-02 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 2 [1/2-] > = 3.78182e-01 7.56364e-01 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 2 [1/2-] > = 3.78181927e-017.56363854e-01 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 6] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=6 [J=3/2-] || H^(weak-charge) (Fermi) || 3 [3/2-] > = 8.07342e-01 1.61468e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 6] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=6 [J=3/2-] || H^(Schiff) (Fermi) || 3 [3/2-] > = 8.07342124e-011.61468425e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 1.60187e-01 3.20375e-01 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 1 [1/2+] > = 1.60187302e-013.20374603e-01 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 2 [1/2-] > = 6.05661e-03 1.21132e-02 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 2 [1/2-] > = 6.05660907e-031.21132181e-02 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 7] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=7 [J=1/2+] || H^(weak-charge) (Fermi) || 3 [3/2-] > = -7.17938e-01 -1.43588e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 7] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=7 [J=1/2+] || H^(Schiff) (Fermi) || 3 [3/2-] > = -7.17937520e-01-1.43587504e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=8 [J=1/2-] || H^(weak-charge) (Fermi) || 1 [1/2+] > = 8.35247e-01 1.67049e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [1- 8] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 1 [1/2+] > = 8.35246698e-011.67049340e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented.done. weak-charge amplitude: < level=8 [J=1/2-] || H^(weak-charge) (Fermi) || 2 [1/2-] > = -1.06476e+00 -2.12952e+00 Compute Schiff moment matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [2- 8] ... Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented. Warning -- InteractionStrength.schiffMoment():: Not yet implemented.done. Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 2 [1/2-] > = -1.06475811e+00-2.12951622e+00 Compute weak -charge matrix of dimension 16 x 16 in the final- and initial-state bases for the transition [3- 8] ... Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. Warning -- InteractionStrength.weakCharge():: Not yet implemented. 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. 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Schiff moment amplitude: < level=8 [J=1/2-] || H^(Schiff) (Fermi) || 3 [3/2-] > = -5.63420943e-01-1.12684189e+00 testModule_ParityNonConservation():: [Fail] JAC amplitudes: Test Failed at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:32 Expression: TestFrames.testModule_ParityNonConservation() Stacktrace: [1] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [3] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [5] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:32 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] Test the module Einstein ... (Re-) Define the standard grid with 392 grid points. >>> 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 -6.18829676e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176868e-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 +3.51600825e-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 -1.30004326e-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 ----------------------------------------------------------------------------- >> (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 = 8.7016e-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 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -9.711504212087e+02 -2.642634899500e+04 -2.642634899500e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -9.705584564958e+02 -2.641024081468e+04 -2.641024081468e+04 1.610818031e+01 1.610818031e+01 3 3/2 - -9.700614031750e+02 -2.639671530490e+04 -2.639671530490e+04 1.352550979e+01 2.963369010e+01 4 1/2 - -9.683358962076e+02 -2.634976186873e+04 -2.634976186873e+04 4.695343617e+01 7.658712627e+01 5 5/2 - -9.680801321293e+02 -2.634280217366e+04 -2.634280217366e+04 6.959695065e+00 8.354682133e+01 6 1/2 + -9.670811318065e+02 -2.631561799024e+04 -2.631561799024e+04 2.718418342e+01 1.107310048e+02 7 3/2 - -9.664745694674e+02 -2.629911258829e+04 -2.629911258829e+04 1.650540195e+01 1.272364067e+02 8 1/2 - -9.657163516432e+02 -2.627848043039e+04 -2.627848043039e+04 2.063215790e+01 1.478685646e+02 9 3/2 - -9.654536134555e+02 -2.627133096014e+04 -2.627133096014e+04 7.149470248e+00 1.550180349e+02 10 3/2 + -9.653919986850e+02 -2.626965433684e+04 -2.626965433684e+04 1.676623305e+00 1.566946582e+02 11 5/2 + -9.647923902488e+02 -2.625333816022e+04 -2.625333816022e+04 1.631617662e+01 1.730108348e+02 12 1/2 + -9.642045522592e+02 -2.623734227377e+04 -2.623734227377e+04 1.599588645e+01 1.890067212e+02 13 3/2 + -9.640667525580e+02 -2.623359255290e+04 -2.623359255290e+04 3.749720863e+00 1.927564421e+02 14 5/2 + -9.623019411298e+02 -2.618556958788e+04 -2.618556958788e+04 4.802296503e+01 2.407794071e+02 15 3/2 + -9.614491258272e+02 -2.616236330147e+04 -2.616236330147e+04 2.320628640e+01 2.639856935e+02 16 1/2 + -9.606774849133e+02 -2.614136588270e+04 -2.614136588270e+04 2.099741878e+01 2.849831123e+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 - 6.74386410e+01 E2(Coulomb), E2(Babushkin) 5 -- 3 5/2 - --> 3/2 - 5.39131312e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 5 -- 4 5/2 - --> 1/2 - 6.95969506e+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 - 9.76027166e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 4 3/2 - --> 1/2 - 5.06492804e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 5 3/2 - --> 5/2 - 4.36895854e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 6 3/2 - --> 1/2 + 1.65054020e+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 - 8.01075319e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 5 3/2 + --> 5/2 - 7.31478368e+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 - 8.82609355e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 9 3/2 + --> 3/2 - 1.67662331e+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 - 9.64237085e+01 M2(Magnetic) 11 -- 5 5/2 + --> 5/2 - 8.94640134e+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 - 1.79927999e+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 - 6.17703145e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 8 1/2 + --> 1/2 - 4.11381566e+01 E1(Coulomb), E1(Babushkin) 12 -- 9 1/2 + --> 3/2 - 3.39886864e+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 + 1.59958865e+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 - 3.77384072e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 10 3/2 + --> 3/2 + 3.60617839e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 11 3/2 + --> 5/2 + 1.97456073e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 12 3/2 + --> 1/2 + 3.74972086e+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 - 9.29108425e+01 M2(Magnetic) 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 10 5/2 + --> 3/2 + 8.40847490e+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 + 5.17726859e+01 E2(Coulomb), E2(Babushkin) 14 -- 13 5/2 + --> 3/2 + 4.80229650e+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 7.257419e+02 2.929049e-08 2.574795e-14 4.776920e-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 5.893942e+02 4.655786e-08 2.615656e-14 3.879463e-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 1.799358e-05 6.607205e-13 6.185811e-21 1.184359e-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 9.045262e+09 5.435729e-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 7.959643e+02 7.179452e-09 1.713715e-14 5.239132e-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 3.351353e+03 4.461750e-08 8.215378e-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 1.254713e+02 1.195350e-08 5.927073e-15 8.258668e-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 6.754217e+01 1.002564e-08 3.698848e-15 4.445707e-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 6.361544e-10 2.888585e-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 1.011374e+02 3.254017e-10 1.544282e-15 6.656982e-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 3.092685e-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 9.778482e+09 3.092700e-01 3.198448e-07 6.436314e-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 1.809766e-09 7.390093e-16 9.344604e-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 2.399703e+06 1.162004e-03 1.949036e-10 1.579513e-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 1.207162e+05 3.170516e-01 1.722659e-10 7.945685e-11 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Babushkin 8.647963e+03 2.271319e-02 1.234092e-11 5.692192e-12 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 M2 Magnetic 2.416843e-09 6.347646e-15 3.448913e-24 1.590795e-24 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Coulomb 1.669588e+03 3.990802e-09 2.308901e-14 1.098943e-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 4.058855e-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 2.093610e-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 5.434824e+02 2.784929e-08 2.087889e-14 3.577266e-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 9.039886e-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 6.654159e+08 1.414060e+00 8.848379e-08 4.379847e-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 4.595147e-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 2.832633e+00 8.072460e-09 4.153758e-16 1.864473e-15 11 -- 10 5/2 + --> 3/2 + 1.631618e+01 E2 Babushkin 9.105316e-02 2.594840e-10 1.335199e-17 5.993228e-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 8.060341e+09 1.930413e-02 1.115402e-07 5.305413e-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 9.128277e+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 7.459530e+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 4.037827e+09 2.120699e-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 3.356771e-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 9.189939e+06 1.633988e-03 5.344869e-10 6.048927e-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 1.837488e+06 5.792848e-04 1.293479e-10 1.209456e-09 12 -- 9 1/2 + --> 3/2 - 3.398869e+01 E1 Babushkin 6.694955e+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 1.210540e+01 4.441767e-09 8.963624e-16 7.967917e-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 4.791647e+00 1.449208e-08 7.167139e-16 3.153919e-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 2.260772e+03 3.907517e-09 2.806191e-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 7.251131e+08 1.628353e-03 9.821226e-09 4.772781e-07 13 -- 2 3/2 + --> 1/2 - 1.766483e+02 E1 Babushkin 4.033260e+08 9.057304e-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 9.995873e-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 8.940460e-04 2.061010e-09 6.192093e-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 2.639015e-08 3.431922e-14 7.744304e-13 13 -- 6 3/2 + --> 1/2 + 8.202544e+01 E2 Babushkin 3.806144e+03 8.537099e-08 1.110212e-13 2.505249e-12 13 -- 7 3/2 + --> 3/2 - 6.552004e+01 E1 Coulomb 5.395932e+09 2.374734e-01 1.970433e-07 3.551667e-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 4.066746e-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 6.994154e-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 2.583879e-02 7.112753e-09 7.384443e-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 1.030159e+01 2.719151e-09 6.834806e-16 6.780627e-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 4.743053e-10 2.576469e-09 13 -- 11 3/2 + --> 5/2 + 1.974561e+01 E2 Coulomb 2.840221e-01 4.566795e-10 3.441526e-17 1.869468e-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 2.438412e-12 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Coulomb 1.117604e-02 2.623989e-09 7.131131e-18 7.356204e-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 2.731139e+02 2.421902e-10 2.713899e-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 5.778524e-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 7.696991e+01 4.331883e-10 1.416072e-15 5.066251e-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 3.091971e+03 6.438053e-08 8.798072e-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 3.604183e+03 1.433484e-07 1.272471e-13 2.372317e-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 1.050752e+02 9.372790e-09 4.855889e-15 6.916173e-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 + 4.802297e+01 M1 Magnetic 5.742665e+06 6.418557e-04 2.861105e-10 3.779891e-09 14 -- 13 5/2 + --> 3/2 + 4.802297e+01 E2 Coulomb 1.041975e+02 1.164612e-08 5.191320e-15 6.858407e-14 14 -- 13 5/2 + --> 3/2 + 4.802297e+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 5.940320e-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 2.684529e-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():: [Fail] JAC properties: Test Failed at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 Expression: TestFrames.testModule_Einstein() Stacktrace: [1] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [3] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [5] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] Test the module LandeZeeman ... (Re-) Define the standard grid with 392 grid points. >>> 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 +2.59983627e-06 3 3s_1/2 -3.78995844e+01 -3.78994478e+01 -3.60423458e-06 4 4s_1/2 -2.12867988e+01 -2.12819385e+01 -2.28326776e-04 5 5s_1/2 -1.36512560e+01 -1.36039714e+01 -3.46375546e-03 6 6s_1/2 -1.02303246e+01 -9.43887322e+00 -7.73632733e-02 7 7s_1/2 -8.90112294e+00 -6.93005925e+00 -2.21439891e-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 -1.32100857e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772905e-06 3 4p_3/2 -2.11887501e+01 -2.11846929e+01 -1.91475307e-04 4 5p_3/2 -1.36295575e+01 -1.35542226e+01 -5.52731616e-03 5 6p_3/2 -1.13113899e+01 -9.41010352e+00 -1.68086005e-01 6 7p_3/2 -9.13899667e+00 -6.91195226e+00 -2.43685876e-01 7 8p_3/2 -6.57905828e+00 -5.29094223e+00 -1.95790339e-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 ----------------------------------------------------------------------------- >> (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 [9.0801e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0801e-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.] = -9.1334056e+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 [3.1621e-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 = 2.9493e-07 [2.8759e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6423e-08 [7.4715e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4715e-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 = 7.8510e-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 [9.9762e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8975e-09 [9.9762e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0645e-08 [9.9762e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 8.9275e-09 [2.9125e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9125e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 1.0463e-08 [9.7842e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1624e-08 [9.7842e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -1.242746339593e+03 -3.381685037161e+04 -3.381685037161e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -1.242672278701e+03 -3.381483507208e+04 -3.381483507208e+04 2.015299530e+00 2.015299530e+00 3 1/2 + -1.241095735455e+03 -3.377193514524e+04 -3.377193514524e+04 4.289992684e+01 4.491522637e+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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.0794e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0794e-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 [3.1617e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8528e-07 [3.1617e-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 = 2.9494e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6424e-08 [7.4712e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4712e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5590e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8509e-08 [6.5590e-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 [9.9728e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8978e-09 [9.9728e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0645e-08 [9.9728e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015191e+01; self-cons'cy = 8.9275e-09 [2.9131e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9131e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7800e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1623e-08 [9.7800e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -1.242746325224e+03 -3.381684998060e+04 -3.381684998060e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -1.242672264332e+03 -3.381483468108e+04 -3.381483468108e+04 2.015299523e+00 2.015299523e+00 3 1/2 + -1.241095721195e+03 -3.377193475721e+04 -3.377193475721e+04 4.289992386e+01 4.491522338e+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 - 2.01529952e+00 -2.30580e+02 3.25536e+02 9.49561e+01 8.02297e+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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.0794e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0794e-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 [3.1617e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8528e-07 [3.1617e-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 = 2.9494e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6424e-08 [7.4712e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4712e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5590e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8509e-08 [6.5590e-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 [9.9728e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8978e-09 [9.9728e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0645e-08 [9.9728e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015191e+01; self-cons'cy = 8.9275e-09 [2.9131e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9131e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7800e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1623e-08 [9.7800e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -1.242746325224e+03 -3.381684998060e+04 -3.381684998060e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -1.242672264332e+03 -3.381483468108e+04 -3.381483468108e+04 2.015299523e+00 2.015299523e+00 3 1/2 + -1.241095721195e+03 -3.377193475721e+04 -3.377193475721e+04 4.289992386e+01 4.491522338e+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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.0794e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0794e-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 [3.1617e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8528e-07 [3.1617e-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 = 2.9494e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6424e-08 [7.4712e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4712e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5590e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8509e-08 [6.5590e-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 [9.9728e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8978e-09 [9.9728e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0645e-08 [9.9728e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015191e+01; self-cons'cy = 8.9275e-09 [2.9131e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9131e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7800e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1623e-08 [9.7800e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -1.242746325224e+03 -3.381684998060e+04 -3.381684998060e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -1.242672264332e+03 -3.381483468108e+04 -3.381483468108e+04 2.015299523e+00 2.015299523e+00 3 1/2 + -1.241095721195e+03 -3.377193475721e+04 -3.377193475721e+04 4.289992386e+01 4.491522338e+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 ... (Re-) Define the standard grid with 770 grid points. >>> 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 +1.42264332e-07 6 6s_1/2 -2.00219967e+00 -2.00224317e+00 +2.17293633e-05 7 7s_1/2 -1.46301013e+00 -1.47082901e+00 +5.34437787e-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 +1.99029056e-09 5 6p_1/2 -2.00220829e+00 -2.00224317e+00 +1.74252501e-05 6 7p_1/2 -1.46396518e+00 -1.47082901e+00 +4.68852436e-03 7 8p_1/2 -1.02180473e+00 -1.12597992e+00 +1.01952146e-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 +1.76562675e-12 4 5p_3/2 -2.88154739e+00 -2.88154739e+00 +1.78615430e-09 5 6p_3/2 -2.00092404e+00 -2.00095940e+00 +1.76688589e-05 6 7p_3/2 -1.46310658e+00 -1.47002067e+00 +4.72562043e-03 7 8p_3/2 -1.02088909e+00 -1.12543844e+00 +1.02410103e-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 ----------------------------------------------------------------------------- >> (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 [3.0451e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -5.5744874e+00; self-cons'cy = 2.3055e-01 [3.0451e-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 [1.2938e-01 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.7550878e+00; self-cons'cy = 7.9326e-02 [1.2938e-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 [4.5888e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8993276e+00; self-cons'cy = 3.1532e-06 [4.5888e-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 [6.1755e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -4.8993319e+00; self-cons'cy = 4.3310e-07 [6.1755e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.7787280e+00; self-cons'cy = 7.7107e-08 [7.7107e-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. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -1.500861571530e+02 -4.084052358550e+03 -4.084052358550e+03 0.000000000e+00 0.000000000e+00 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: (Re-) Define the standard grid with 770 grid points. * 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 -------------------------------------------- initialConfigs = Configuration[Configuration: 1s^1 2s^2 2p^6 ] wb = [9, 9] Generated configurations for decay configurations and with 9 electrons: ------------------------------------------------------------------------------------- (1) 1s^2 2s^1 2p^6 (2) 1s^2 2s^2 2p^5 (3) 1s^1 2s^2 2p^6 ------------------------------------------------------------------------------------- * 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^2 2s^1 2p^6 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 1 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 2 CSF done. Multiplet computations for 1s^1 2s^2 2p^6 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 1 CSF done. * Configuration 'blocks' (multiplets): for the decay cascade ------------------------------------------------------------------------------------------------------------------------------------------------------ No. Configurations No. CSF Range of total energies [eV] ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 [He] 2s^1 2p^6 1 -5299.0 ... -5299.0 2 [Be] 2p^5 2 -5340.0 ... -5340.0 3 [Core] 1s^1 2s^2 2p^6 1 -4084.0 ... -4084.0 ------------------------------------------------------------------------------------------------------------------------------------------------------ * 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, [He] 2s^1 2p^6 2, [Be] 2p^5 41.0 ... 41.0 2 Radiative 1, [Core] 1s^1 2s^2 2p^6 1, [He] 2s^1 2p^6 1215.0 ... 1215.0 3 Radiative 1, [Core] 1s^1 2s^2 2p^6 2, [Be] 2p^5 1256.0 ... 1256.0 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- * 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 2 decay lines (without selection rules): Step 1:: A total of 2 Radiative lines are calculated, giving now rise to a total of 2 Radiative decay lines. 2) Perform Radiative amplitude computations for up to 1 decay lines (without selection rules): Step 2:: A total of 0 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. 0.489305 seconds (148.69 k allocations: 8.095 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: (Re-) Define the standard grid with 770 grid points. * 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 -------------------------------------------- initialConfigs = Configuration[Configuration: 1s^1 2s^2 2p^6 ] wb = [9, 9, 8, 8, 8] Generated configurations for decay configurations and with 9 electrons: ------------------------------------------------------------------------------------- (1) 1s^2 2s^1 2p^6 (2) 1s^2 2s^2 2p^5 (3) 1s^1 2s^2 2p^6 ------------------------------------------------------------------------------------- Generated configurations for decay configurations and with 8 electrons: ------------------------------------------------------------------------------------- (1) 1s^2 2s^0 2p^6 (2) 1s^2 2s^1 2p^5 (3) 1s^2 2s^2 2p^4 ------------------------------------------------------------------------------------- * 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^2 2s^1 2p^6 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 1 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 2 CSF done. Multiplet computations for 1s^2 2s^0 2p^6 with 8 electrons ... (Re-) Define the standard grid with 770 grid points. and 1 CSF done. Multiplet computations for 1s^2 2s^1 2p^5 with 8 electrons ... (Re-) Define the standard grid with 770 grid points. and 4 CSF done. Multiplet computations for 1s^2 2s^2 2p^4 with 8 electrons ... (Re-) Define the standard grid with 770 grid points. and 5 CSF done. Multiplet computations for 1s^1 2s^2 2p^6 with 9 electrons ... (Re-) Define the standard grid with 770 grid points. and 1 CSF done. * Configuration 'blocks' (multiplets): for the decay cascade ------------------------------------------------------------------------------------------------------------------------------------------------------ No. Configurations No. CSF Range of total energies [eV] ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 [He] 2s^1 2p^6 1 -5299.0 ... -5299.0 2 [Be] 2p^5 2 -5340.0 ... -5340.0 3 [He] 2s^0 2p^6 1 -5148.0 ... -5148.0 4 [He] 2s^1 2p^5 4 -5196.0 ... -5181.0 5 [Be] 2p^4 5 -5233.0 ... -5221.0 6 [Core] 1s^1 2s^2 2p^6 1 -4084.0 ... -4084.0 ------------------------------------------------------------------------------------------------------------------------------------------------------ * 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=1.0694e-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 = -1.5526140997373714, cPhase = 0.22821147295533173 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=1.7954e-12]. >> 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 = 0.964903572620228, cPhase = -0.1929254644925149 >> (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=2.4107e-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 = 0.39572997656937553, cPhase = -0.5573560471026366 >> (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=9.6702e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9651212090063641, cPhase = -0.19294491256382829 >> (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=-2.2553e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9696666501060243, cPhase = -0.191828869851402 >> (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=4.6692e-13]. >> Radial potential with effective charge Zbar=4.0000e+00 (Delta-Zbar=0.0000e+00) at r=1.0123e+01 a.u. >> Normalization with Coulomb functions: r = 6.297627237403781, iPhase = 0.9697797584485401, cPhase = -0.19183883167135335 >> (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=1.2638e-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 = 0.9677299615168662, cPhase = -0.19436752769998078 >> (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=1.2154e-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 = 0.9722679689595816, cPhase = -0.19325609677366495 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=2.1943e-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 = 0.6020479083400755, cPhase = -0.40443894589996265 >> (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=2.0650e-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 = 0.6033274975190338, cPhase = -0.4039077718912669 >> (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=3.0312e-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 = 1.5694736607428845, cPhase = 0.22184865967395906 >> (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=2.1263e-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 = 0.603512255706243, cPhase = -0.4039474046315229 >> (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=3.0544e-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 = 1.5695704533818626, cPhase = 0.2218559380691869 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=4.2038e+01, kappa=-3 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=3.1042e-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 = 0.6023630700302417, cPhase = -0.40527121410509226 >> (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=2.9503e-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 = 0.6036409873419883, cPhase = -0.40474084623054796 >> (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=7.9870e-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 = -1.5689233139836918, cPhase = 0.2226698840113408 Step 3:: A total of 5 Auger lines are calculated, giving now rise to a total of 10 Auger decay lines. 4.924154 seconds (51.65 M allocations: 938.497 MiB, 5.20% gc time, 21.52% compilation time) typeof(data) = Vector{JenaAtomicCalculator.Cascade.Data} levelKey = LevelKey[1/2 + (1), en=-150.08615715303262, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-194.74202177798378, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-194.74202177798378, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-150.08615715303262, occ=0.0] ** compareKey = LevelKey[1/2 + (1), en=-150.08615715303262, occ=0.0] compareKey = LevelKey[1/2 + (1), en=-150.08615715303262, occ=0.0] ** compareKey = LevelKey[1/2 + (1), en=-150.08615715303262, 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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 +5.73702670e-06 2 2s_1/2 -8.54687353e+01 -8.54689584e+01 +2.60997757e-06 3 3s_1/2 -3.78995841e+01 -3.78994478e+01 -3.59744935e-06 4 4s_1/2 -2.12867987e+01 -2.12819385e+01 -2.28319821e-04 5 5s_1/2 -1.36512549e+01 -1.36039714e+01 -3.46367669e-03 6 6s_1/2 -1.02302935e+01 -9.43887322e+00 -7.73604685e-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 -1.32099028e-07 2 3p_3/2 -3.76688688e+01 -3.76687634e+01 -2.79772786e-06 3 4p_3/2 -2.11887498e+01 -2.11846929e+01 -1.91464000e-04 4 5p_3/2 -1.36295416e+01 -1.35542226e+01 -5.52615654e-03 5 6p_3/2 -1.13110346e+01 -9.41010352e+00 -1.68059877e-01 6 7p_3/2 -9.13896167e+00 -6.91195226e+00 -2.43682979e-01 7 8p_3/2 -6.57904684e+00 -5.29094223e+00 -1.95788941e-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 ----------------------------------------------------------------------------- >> (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 [9.0794e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562038e+00; self-cons'cy = 2.2071e-07 [9.0794e-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 [3.1617e-06 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562107e+00; self-cons'cy = 3.8528e-07 [3.1617e-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 = 2.9494e-07 [2.8758e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015190e+01; self-cons'cy = 2.6424e-08 [7.4712e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334060e+00; self-cons'cy = 2.6042e-08 [7.4712e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556616e+01; self-cons'cy = 6.8975e-08 [6.5590e-07 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562093e+00; self-cons'cy = 7.8509e-08 [6.5590e-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 [9.9728e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -3.8106523e+01; self-cons'cy = 8.8978e-09 [9.9728e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -1.0382130e+01; self-cons'cy = 1.0645e-08 [9.9728e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -3.4015191e+01; self-cons'cy = 8.9275e-09 [2.9131e-08 for sym-block kappa = 1] 3p_1/2:: en [a.u.] = -9.1334062e+00; self-cons'cy = 1.0116e-08 [2.9131e-08 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -3.3556617e+01; self-cons'cy = 1.0464e-08 [9.7800e-08 for sym-block kappa = -2] 3p_3/2:: en [a.u.] = -9.0562095e+00; self-cons'cy = 1.1623e-08 [9.7800e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -1.242746325224e+03 -3.381684998060e+04 -3.381684998060e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -1.242672264332e+03 -3.381483468108e+04 -3.381483468108e+04 2.015299523e+00 2.015299523e+00 3 1/2 + -1.241095721195e+03 -3.377193475721e+04 -3.377193475721e+04 4.289992386e+01 4.491522338e+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 ... (Re-) Define the standard grid with 392 grid points. >>> 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 -6.18829676e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176868e-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 +3.51600825e-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 -1.30004326e-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 ----------------------------------------------------------------------------- >> (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 = 8.7016e-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 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -9.711504212087e+02 -2.642634899500e+04 -2.642634899500e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -9.705584564958e+02 -2.641024081468e+04 -2.641024081468e+04 1.610818031e+01 1.610818031e+01 3 3/2 - -9.700614031750e+02 -2.639671530490e+04 -2.639671530490e+04 1.352550979e+01 2.963369010e+01 4 1/2 - -9.683358962076e+02 -2.634976186873e+04 -2.634976186873e+04 4.695343617e+01 7.658712627e+01 5 5/2 - -9.680801321293e+02 -2.634280217366e+04 -2.634280217366e+04 6.959695065e+00 8.354682133e+01 6 1/2 + -9.670811318065e+02 -2.631561799024e+04 -2.631561799024e+04 2.718418342e+01 1.107310048e+02 7 3/2 - -9.664745694674e+02 -2.629911258829e+04 -2.629911258829e+04 1.650540195e+01 1.272364067e+02 8 1/2 - -9.657163516432e+02 -2.627848043039e+04 -2.627848043039e+04 2.063215790e+01 1.478685646e+02 9 3/2 - -9.654536134555e+02 -2.627133096014e+04 -2.627133096014e+04 7.149470248e+00 1.550180349e+02 10 3/2 + -9.653919986850e+02 -2.626965433684e+04 -2.626965433684e+04 1.676623305e+00 1.566946582e+02 11 5/2 + -9.647923902488e+02 -2.625333816022e+04 -2.625333816022e+04 1.631617662e+01 1.730108348e+02 12 1/2 + -9.642045522592e+02 -2.623734227377e+04 -2.623734227377e+04 1.599588645e+01 1.890067212e+02 13 3/2 + -9.640667525580e+02 -2.623359255290e+04 -2.623359255290e+04 3.749720863e+00 1.927564421e+02 14 5/2 + -9.623019411298e+02 -2.618556958788e+04 -2.618556958788e+04 4.802296503e+01 2.407794071e+02 15 3/2 + -9.614491258272e+02 -2.616236330147e+04 -2.616236330147e+04 2.320628640e+01 2.639856935e+02 16 1/2 + -9.606774849133e+02 -2.614136588270e+04 -2.614136588270e+04 2.099741878e+01 2.849831123e+02 (Re-) Define the standard grid with 392 grid points. >>> 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 -6.18829676e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176868e-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 +3.51600825e-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 -1.30004326e-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 ----------------------------------------------------------------------------- >> (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 = 8.7016e-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 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -9.711504212087e+02 -2.642634899500e+04 -2.642634899500e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -9.705584564958e+02 -2.641024081468e+04 -2.641024081468e+04 1.610818031e+01 1.610818031e+01 3 3/2 - -9.700614031750e+02 -2.639671530490e+04 -2.639671530490e+04 1.352550979e+01 2.963369010e+01 4 1/2 - -9.683358962076e+02 -2.634976186873e+04 -2.634976186873e+04 4.695343617e+01 7.658712627e+01 5 5/2 - -9.680801321293e+02 -2.634280217366e+04 -2.634280217366e+04 6.959695065e+00 8.354682133e+01 6 1/2 + -9.670811318065e+02 -2.631561799024e+04 -2.631561799024e+04 2.718418342e+01 1.107310048e+02 7 3/2 - -9.664745694674e+02 -2.629911258829e+04 -2.629911258829e+04 1.650540195e+01 1.272364067e+02 8 1/2 - -9.657163516432e+02 -2.627848043039e+04 -2.627848043039e+04 2.063215790e+01 1.478685646e+02 9 3/2 - -9.654536134555e+02 -2.627133096014e+04 -2.627133096014e+04 7.149470248e+00 1.550180349e+02 10 3/2 + -9.653919986850e+02 -2.626965433684e+04 -2.626965433684e+04 1.676623305e+00 1.566946582e+02 11 5/2 + -9.647923902488e+02 -2.625333816022e+04 -2.625333816022e+04 1.631617662e+01 1.730108348e+02 12 1/2 + -9.642045522592e+02 -2.623734227377e+04 -2.623734227377e+04 1.599588645e+01 1.890067212e+02 13 3/2 + -9.640667525580e+02 -2.623359255290e+04 -2.623359255290e+04 3.749720863e+00 1.927564421e+02 14 5/2 + -9.623019411298e+02 -2.618556958788e+04 -2.618556958788e+04 4.802296503e+01 2.407794071e+02 15 3/2 + -9.614491258272e+02 -2.616236330147e+04 -2.616236330147e+04 2.320628640e+01 2.639856935e+02 16 1/2 + -9.606774849133e+02 -2.614136588270e+04 -2.614136588270e+04 2.099741878e+01 2.849831123e+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 - 6.74386410e+01 E2(Coulomb), E2(Babushkin) 5 -- 3 5/2 - --> 3/2 - 5.39131312e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 5 -- 4 5/2 - --> 1/2 - 6.95969506e+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 - 9.76027166e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 4 3/2 - --> 1/2 - 5.06492804e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 5 3/2 - --> 5/2 - 4.36895854e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 7 -- 6 3/2 - --> 1/2 + 1.65054020e+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 - 8.01075319e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 5 3/2 + --> 5/2 - 7.31478368e+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 - 8.82609355e+00 E1(Coulomb), E1(Babushkin), M2(Magnetic) 10 -- 9 3/2 + --> 3/2 - 1.67662331e+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 - 9.64237085e+01 M2(Magnetic) 11 -- 5 5/2 + --> 5/2 - 8.94640134e+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 - 1.79927999e+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 - 6.17703145e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 12 -- 8 1/2 + --> 1/2 - 4.11381566e+01 E1(Coulomb), E1(Babushkin) 12 -- 9 1/2 + --> 3/2 - 3.39886864e+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 + 1.59958865e+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 - 3.77384072e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 13 -- 10 3/2 + --> 3/2 + 3.60617839e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 11 3/2 + --> 5/2 + 1.97456073e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 13 -- 12 3/2 + --> 1/2 + 3.74972086e+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 - 9.29108425e+01 M2(Magnetic) 14 -- 9 5/2 + --> 3/2 - 8.57613723e+01 E1(Coulomb), E1(Babushkin), M2(Magnetic) 14 -- 10 5/2 + --> 3/2 + 8.40847490e+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 + 5.17726859e+01 E2(Coulomb), E2(Babushkin) 14 -- 13 5/2 + --> 3/2 + 4.80229650e+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 + 9.09748587e+01 M1(Magnetic), E2(Coulomb), E2(Babushkin) 15 -- 12 3/2 + --> 1/2 + 7.49789723e+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 + 2.32062864e+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 + 1.74252108e+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 + 1.11972278e+02 E2(Coulomb), E2(Babushkin) 16 -- 12 1/2 + --> 1/2 + 9.59763911e+01 M1(Magnetic) 16 -- 13 1/2 + --> 3/2 + 9.22266702e+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 + 2.09974188e+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 3.628710e+02 1.464524e-08 5.516280e-09 2.388460e-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 1.163947e-08 1.752421e-09 9.698658e-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 8.996789e-06 3.303602e-13 1.284159e-14 5.921794e-21 -- 5 -- 4 5/2 - --> 1/2 - 6.959695e+00 E2 Babushkin 1.145771e-05 4.207247e-13 1.635419e-14 7.541601e-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 3.979821e+02 3.589726e-09 1.485372e-09 2.619566e-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 1.449452e-05 3.943693e-09 -- 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Coulomb 8.378382e+02 1.115438e-08 2.026874e-09 5.514751e-13 -- 7 -- 3 3/2 - --> 3/2 - 9.760272e+01 E2 Babushkin 2.820807e+03 3.755419e-08 6.824014e-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 6.273563e+01 5.976752e-09 1.127167e-09 4.129334e-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 9.060812e-11 7.409511e-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 6.040625e-03 3.712424e-04 1.444292e-09 7.290472e-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 5.056868e+01 1.627009e-10 9.492785e-11 3.328491e-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 7.374306e-11 3.400328e-14 -- 10 -- 4 3/2 + --> 1/2 - 8.010753e+01 E1 Coulomb 2.349308e+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 5.154500e-02 4.679683e-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 7.098476e+00 9.048829e-10 1.548661e-10 4.672302e-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 5.999258e+05 2.905009e-04 1.593214e-05 3.948783e-10 7.012151e-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 9.536951e-16 2.363735e-20 -- 10 -- 8 3/2 + --> 1/2 - 8.826094e+00 E1 Coulomb 3.081598e+06 5.548061e-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 3.602534e-13 1.183931e-14 1.317069e-20 -- 10 -- 9 3/2 + --> 3/2 - 1.676623e+00 E1 Coulomb 3.017905e+04 7.926289e-02 2.474144e-04 1.986421e-11 1.913259e-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 6.042106e-10 1.586912e-15 4.953450e-18 3.976987e-25 -- 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Coulomb 8.347939e+02 1.995401e-09 1.928166e-09 5.494713e-13 -- 11 -- 1 5/2 + --> 1/2 + 1.730108e+02 E2 Babushkin 1.316221e+03 3.146152e-09 3.040141e-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 2.592386e-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 3.175474e+09 5.489520e-02 9.143286e-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 2.717412e+02 1.392464e-08 4.843646e-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 6.329728e-19 -- 11 -- 9 5/2 + --> 3/2 - 1.799280e+01 E1 Coulomb 1.663540e+08 3.535149e-01 1.776304e-02 1.094962e-07 8.533193e-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 7.561452e-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 7.081582e-01 2.018115e-09 9.195496e-11 4.661182e-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 9.652066e-03 3.106928e-03 2.652706e-06 1.164915e-06 12 -- 2 1/2 + --> 1/2 - 1.728985e+02 E1 Babushkin 3.528018e+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 6.978389e-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 5.301748e-02 3.048516e-03 6.644364e-07 1.279743e-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 4.594969e+06 8.169942e-04 6.257249e-05 3.024464e-09 9.860360e-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 4.593719e+05 1.448212e-04 4.582011e-06 3.023641e-10 3.495715e-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 3.026349e+00 1.110442e-09 3.340028e-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 7.986078e-01 2.415347e-09 2.397652e-11 5.256532e-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 1.953759e-09 1.402263e-09 7.440336e-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 8.141764e-04 5.355222e-04 2.386390e-07 9.826351e-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 3.288186e-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 6.430140e-02 2.781387e-02 5.360306e-06 7.760580e-06 13 -- 4 3/2 + --> 1/2 - 1.161693e+02 E1 Babushkin 5.714721e+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 2.178680e-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 5.882835e+02 1.319507e-08 4.030046e-09 3.872152e-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 5.936835e-02 7.241836e-03 8.879168e-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 3.398566e-02 9.779108e-07 2.454092e-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 2.804736e+07 6.459697e-03 4.538531e-04 1.846111e-08 1.559251e-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 2.575397e+00 6.797878e-10 4.563942e-11 1.695157e-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 4.733702e-02 7.611326e-11 1.865345e-12 3.115779e-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 6.072029e-06 1.219206e-12 -- 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Coulomb 5.588021e-03 1.311995e-09 1.831811e-11 3.678102e-18 -- 13 -- 12 3/2 + --> 1/2 + 3.749721e+00 E2 Babushkin 3.802121e-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 8.988341e-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 2.204146e-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 9.630873e-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 3.848496e+01 2.165942e-10 1.573232e-10 2.533126e-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 6.999981e+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 7.729928e+02 1.609513e-08 3.779398e-09 5.087931e-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 6.006972e+02 2.389139e-08 3.014320e-09 3.953861e-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 5.253759e+01 4.686395e-09 1.355128e-09 3.458087e-14 -- 14 -- 12 5/2 + --> 1/2 + 5.177269e+01 E2 Babushkin 2.892217e+01 2.579880e-09 7.460039e-10 1.903691e-14 -- 14 -- 13 5/2 + --> 3/2 + 4.802297e+01 M1 Magnetic 1.435666e+06 1.604639e-04 2.151975e-05 9.449727e-10 -- 14 -- 13 5/2 + --> 3/2 + 4.802297e+01 E2 Coulomb 2.604939e+01 2.911531e-09 3.904642e-10 1.714602e-14 -- 14 -- 13 5/2 + --> 3/2 + 4.802297e+01 E2 Babushkin 3.340561e+00 3.733733e-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 7.397097e-01 4.977268e-13 4.892389e-13 4.868858e-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 5.777021e+07 4.695300e-05 4.333613e-05 3.802504e-08 5.666791e-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 9.767776e+08 1.837248e-03 1.281987e-03 6.429267e-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 3.348179e-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 3.564588e-10 2.034102e-10 6.822531e-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 3.742994e-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 6.450515e-08 1.288479e-08 4.236231e-12 -- 15 -- 10 3/2 + --> 3/2 + 1.072910e+02 E2 Coulomb 1.446245e+02 1.449514e-09 2.895380e-10 9.519360e-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 6.103157e+02 1.003370e-08 1.132951e-09 4.017171e-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 2.712660e+02 7.966136e-09 2.224010e-09 1.785505e-13 -- 15 -- 12 3/2 + --> 1/2 + 7.497897e+01 E2 Babushkin 2.460178e+02 7.224685e-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 9.566770e+02 3.276884e-08 4.345492e-09 6.296962e-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 1.798952e-09 5.181477e-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 4.937173e-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 7.606095e-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 1.013255e-06 2.541145e-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 5.719089e+09 1.803503e-02 2.648297e-03 3.764372e-06 4.353320e-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 9.235959e-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 3.985701e+02 2.336753e-09 2.790551e-10 2.623436e-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 5.158968e+03 4.548856e-08 3.160902e-09 3.395695e-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 2.890060e-09 2.481150e-10 1.205512e-13 -- 16 -- 13 1/2 + --> 3/2 + 9.222667e+01 E2 Coulomb 1.866443e+03 2.945208e-08 2.528495e-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 1.466796e+01 2.102154e-09 5.766622e-11 9.654625e-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 8.425067e-09 1.646754e-10 4.147305e-15 -- 16 -- 15 1/2 + --> 3/2 + 2.099742e+01 E2 Coulomb 2.003147e-02 2.678464e-11 5.235297e-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 - 6.74386410e+01 E2 -6.19283171e-02 7.00433484e-02 -7.15086611e-02 8.08790921e-02 5 -- 3 5/2 - --> 3/2 - 5.39131312e+01 M1, E2 3.73615706e-01 3.72341180e-01 -3.15610187e-03 1.58790910e-03 5 -- 4 5/2 - --> 1/2 - 6.95969506e+00 E2 -1.13773606e+00 -1.00817609e+00 -1.31374444e+00 -1.16414148e+00 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1, M2 -1.40771834e-01 1.09842489e-01 0.00000000e+00 0.00000000e+00 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1, E2 4.90171177e-01 5.00340302e-01 0.00000000e+00 0.00000000e+00 7 -- 3 3/2 - --> 3/2 - 9.76027166e+01 M1, E2 -3.94846579e-01 -3.94715961e-01 0.00000000e+00 0.00000000e+00 7 -- 4 3/2 - --> 1/2 - 5.06492804e+01 M1, E2 5.00302972e-01 4.95390275e-01 0.00000000e+00 0.00000000e+00 7 -- 5 3/2 - --> 5/2 - 4.36895854e+01 M1, E2 1.00294901e-01 9.96899956e-02 0.00000000e+00 0.00000000e+00 7 -- 6 3/2 - --> 1/2 + 1.65054020e+01 E1, M2 2.91216184e-02 -3.09226128e-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 -5.01255496e-02 4.55590903e-02 0.00000000e+00 0.00000000e+00 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1, M2 5.68696263e-02 -4.97830394e-02 0.00000000e+00 0.00000000e+00 10 -- 4 3/2 + --> 1/2 - 8.01075319e+01 E1, M2 1.99297240e-01 -3.31462254e-01 0.00000000e+00 0.00000000e+00 10 -- 5 3/2 + --> 5/2 - 7.31478368e+01 E1, M2 -2.43588204e-02 1.95867995e-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 1.05964300e-01 -8.37728169e-02 0.00000000e+00 0.00000000e+00 10 -- 8 3/2 + --> 1/2 - 8.82609355e+00 E1, M2 4.57477742e-01 -5.37931543e+00 0.00000000e+00 0.00000000e+00 10 -- 9 3/2 + --> 3/2 - 1.67662331e+00 E1, M2 -2.92938232e-01 1.09446514e+00 0.00000000e+00 0.00000000e+00 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2 1.36660143e-01 -1.08834639e-01 1.57801541e-01 -1.25671417e-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 -4.71515181e-03 4.65626981e-03 -6.04856634e-07 -5.89762882e-07 11 -- 4 5/2 + --> 1/2 - 9.64237085e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 5 5/2 + --> 5/2 - 8.94640134e+01 E1, M2 7.90899415e-02 -6.67442069e-02 1.53777613e-06 1.09512269e-06 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2 1.64401251e-02 -1.59495697e-02 1.89834213e-02 -1.84169767e-02 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1, M2 1.85980157e-01 -3.69776436e-01 3.17218819e-06 1.25398461e-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 - 1.79927999e+01 E1, M2 2.48571699e-01 -7.40533935e-01 9.53880945e-07 8.46597836e-06 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1, E2 3.70769628e-01 3.69837793e-01 -4.29751052e-03 -7.70541379e-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 - 6.17703145e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 8 1/2 + --> 1/2 - 4.11381566e+01 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 9 1/2 + --> 3/2 - 3.39886864e+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 + 1.59958865e+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 4.79311183e-01 5.14398050e-01 0.00000000e+00 0.00000000e+00 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1, M2 1.27708946e-01 -1.71583983e-01 0.00000000e+00 0.00000000e+00 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1, M2 -7.15927003e-03 7.28698377e-03 0.00000000e+00 0.00000000e+00 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1, M2 8.11525015e-02 -9.68759364e-02 0.00000000e+00 0.00000000e+00 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1, M2 -1.57557615e-02 1.36017567e-02 0.00000000e+00 0.00000000e+00 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1, E2 4.86509370e-01 5.02180717e-01 0.00000000e+00 0.00000000e+00 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1, M2 1.55591770e-03 -1.54987138e-03 0.00000000e+00 0.00000000e+00 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1, M2 2.00999636e-01 -3.36119646e-01 0.00000000e+00 0.00000000e+00 13 -- 9 3/2 + --> 3/2 - 3.77384072e+01 E1, M2 -4.40326475e-01 -4.36848636e+00 0.00000000e+00 0.00000000e+00 13 -- 10 3/2 + --> 3/2 + 3.60617839e+01 M1, E2 -4.00123917e-01 -4.00124318e-01 0.00000000e+00 0.00000000e+00 13 -- 11 3/2 + --> 5/2 + 1.97456073e+01 M1, E2 1.00027169e-01 9.97768463e-02 0.00000000e+00 0.00000000e+00 13 -- 12 3/2 + --> 1/2 + 3.74972086e+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 -2.92167955e+00 -6.54210580e-01 -3.37366495e+00 -7.55417309e-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 -3.91655815e-01 1.91390850e-01 4.30935669e-04 1.02998433e-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 4.04391160e-02 -3.69413129e-02 5.67820528e-06 4.73718303e-06 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2 2.92166506e+00 -4.51855012e-01 3.37364822e+00 -5.21757226e-01 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1, M2 3.21722546e-02 -3.51982578e-02 1.28705240e-06 1.54047933e-06 14 -- 8 5/2 + --> 1/2 - 9.29108425e+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 9.30125573e-02 -1.23787183e-01 -6.14017698e-06 -1.08764020e-05 14 -- 10 5/2 + --> 3/2 + 8.40847490e+01 M1, E2 3.70672734e-01 3.74338810e-01 5.77953385e-03 -7.90197061e-03 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1, E2 -4.30610407e-01 -4.18593716e-01 1.33861781e-02 -1.19383699e-02 14 -- 12 5/2 + --> 1/2 + 5.17726859e+01 E2 -1.37928318e-01 1.85897306e-01 -1.59265903e-01 2.14655720e-01 14 -- 13 5/2 + --> 3/2 + 4.80229650e+01 M1, E2 3.73465855e-01 3.72619345e-01 -2.31916322e-03 8.30518143e-04 15 -- 1 3/2 + --> 1/2 + 2.63985694e+02 M1, E2 3.72464458e-01 4.14111828e-01 0.00000000e+00 0.00000000e+00 15 -- 2 3/2 + --> 1/2 - 2.47877513e+02 E1, M2 -3.74584107e-01 2.14119626e-01 0.00000000e+00 0.00000000e+00 15 -- 3 3/2 + --> 3/2 - 2.34352003e+02 E1, M2 3.33270344e-01 -1.82105931e-01 0.00000000e+00 0.00000000e+00 15 -- 4 3/2 + --> 1/2 - 1.87398567e+02 E1, M2 -2.19099330e-01 1.52337635e-01 0.00000000e+00 0.00000000e+00 15 -- 5 3/2 + --> 5/2 - 1.80438872e+02 E1, M2 -8.04676570e-03 7.42288466e-03 0.00000000e+00 0.00000000e+00 15 -- 6 3/2 + --> 1/2 + 1.53254689e+02 M1, E2 6.44705084e-01 4.80489702e-01 0.00000000e+00 0.00000000e+00 15 -- 7 3/2 + --> 3/2 - 1.36749287e+02 E1, M2 4.32632513e-02 -3.90316800e-02 0.00000000e+00 0.00000000e+00 15 -- 8 3/2 + --> 1/2 - 1.16117129e+02 E1, M2 5.85732826e-02 -6.63443934e-02 0.00000000e+00 0.00000000e+00 15 -- 9 3/2 + --> 3/2 - 1.08967659e+02 E1, M2 -4.23281333e-02 4.73376103e-02 0.00000000e+00 0.00000000e+00 15 -- 10 3/2 + --> 3/2 + 1.07291035e+02 M1, E2 -3.08789755e-01 -2.87541408e-01 0.00000000e+00 0.00000000e+00 15 -- 11 3/2 + --> 5/2 + 9.09748587e+01 M1, E2 1.01926246e-01 9.50405195e-02 0.00000000e+00 0.00000000e+00 15 -- 12 3/2 + --> 1/2 + 7.49789723e+01 M1, E2 4.86663829e-01 5.13661497e-01 0.00000000e+00 0.00000000e+00 15 -- 13 3/2 + --> 3/2 + 7.12292514e+01 M1, E2 -3.99826040e-01 -3.99826346e-01 0.00000000e+00 0.00000000e+00 15 -- 14 3/2 + --> 5/2 + 2.32062864e+01 M1, E2 9.95021899e-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 + 1.74252108e+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 + 1.11972278e+02 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 12 1/2 + --> 1/2 + 9.59763911e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 13 1/2 + --> 3/2 + 9.22266702e+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 + 2.09974188e+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 2.199270e-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 3.378797e-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 - 6.74386410e+01 E2 -6.19283171e-02 7.00433484e-02 -7.15086611e-02 8.08790921e-02 5 -- 3 5/2 - --> 3/2 - 5.39131312e+01 M1, E2 3.73615706e-01 3.72341180e-01 -3.15610187e-03 1.58790910e-03 5 -- 4 5/2 - --> 1/2 - 6.95969506e+00 E2 -1.13773606e+00 -1.00817609e+00 -1.31374444e+00 -1.16414148e+00 7 -- 1 3/2 - --> 1/2 + 1.27236407e+02 E1, M2 -1.40771834e-01 1.09842489e-01 0.00000000e+00 0.00000000e+00 7 -- 2 3/2 - --> 1/2 - 1.11128226e+02 M1, E2 4.90171177e-01 5.00340302e-01 0.00000000e+00 0.00000000e+00 7 -- 3 3/2 - --> 3/2 - 9.76027166e+01 M1, E2 -3.94846579e-01 -3.94715961e-01 0.00000000e+00 0.00000000e+00 7 -- 4 3/2 - --> 1/2 - 5.06492804e+01 M1, E2 5.00302972e-01 4.95390275e-01 0.00000000e+00 0.00000000e+00 7 -- 5 3/2 - --> 5/2 - 4.36895854e+01 M1, E2 1.00294901e-01 9.96899956e-02 0.00000000e+00 0.00000000e+00 7 -- 6 3/2 - --> 1/2 + 1.65054020e+01 E1, M2 2.91216184e-02 -3.09226128e-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 -5.01255496e-02 4.55590903e-02 0.00000000e+00 0.00000000e+00 10 -- 3 3/2 + --> 3/2 - 1.27060968e+02 E1, M2 5.68696263e-02 -4.97830394e-02 0.00000000e+00 0.00000000e+00 10 -- 4 3/2 + --> 1/2 - 8.01075319e+01 E1, M2 1.99297240e-01 -3.31462254e-01 0.00000000e+00 0.00000000e+00 10 -- 5 3/2 + --> 5/2 - 7.31478368e+01 E1, M2 -2.43588204e-02 1.95867995e-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 1.05964300e-01 -8.37728169e-02 0.00000000e+00 0.00000000e+00 10 -- 8 3/2 + --> 1/2 - 8.82609355e+00 E1, M2 4.57477742e-01 -5.37931543e+00 0.00000000e+00 0.00000000e+00 10 -- 9 3/2 + --> 3/2 - 1.67662331e+00 E1, M2 -2.92938232e-01 1.09446514e+00 0.00000000e+00 0.00000000e+00 11 -- 1 5/2 + --> 1/2 + 1.73010835e+02 E2 1.36660143e-01 -1.08834639e-01 1.57801541e-01 -1.25671417e-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 -4.71515181e-03 4.65626981e-03 -6.04856634e-07 -5.89762882e-07 11 -- 4 5/2 + --> 1/2 - 9.64237085e+01 M2 -5.34522484e-01 -5.34522484e-01 -6.17213400e-01 -6.17213400e-01 11 -- 5 5/2 + --> 5/2 - 8.94640134e+01 E1, M2 7.90899415e-02 -6.67442069e-02 1.53777613e-06 1.09512269e-06 11 -- 6 5/2 + --> 1/2 + 6.22798300e+01 E2 1.64401251e-02 -1.59495697e-02 1.89834213e-02 -1.84169767e-02 11 -- 7 5/2 + --> 3/2 - 4.57744281e+01 E1, M2 1.85980157e-01 -3.69776436e-01 3.17218819e-06 1.25398461e-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 - 1.79927999e+01 E1, M2 2.48571699e-01 -7.40533935e-01 9.53880945e-07 8.46597836e-06 11 -- 10 5/2 + --> 3/2 + 1.63161766e+01 M1, E2 3.70769628e-01 3.69837793e-01 -4.29751052e-03 -7.70541379e-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 - 6.17703145e+01 E1, M2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 8 1/2 + --> 1/2 - 4.11381566e+01 E1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 12 -- 9 1/2 + --> 3/2 - 3.39886864e+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 + 1.59958865e+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 4.79311183e-01 5.14398050e-01 0.00000000e+00 0.00000000e+00 13 -- 2 3/2 + --> 1/2 - 1.76648262e+02 E1, M2 1.27708946e-01 -1.71583983e-01 0.00000000e+00 0.00000000e+00 13 -- 3 3/2 + --> 3/2 - 1.63122752e+02 E1, M2 -7.15927003e-03 7.28698377e-03 0.00000000e+00 0.00000000e+00 13 -- 4 3/2 + --> 1/2 - 1.16169316e+02 E1, M2 8.11525015e-02 -9.68759364e-02 0.00000000e+00 0.00000000e+00 13 -- 5 3/2 + --> 5/2 - 1.09209621e+02 E1, M2 -1.57557615e-02 1.36017567e-02 0.00000000e+00 0.00000000e+00 13 -- 6 3/2 + --> 1/2 + 8.20254373e+01 M1, E2 4.86509370e-01 5.02180717e-01 0.00000000e+00 0.00000000e+00 13 -- 7 3/2 + --> 3/2 - 6.55200354e+01 E1, M2 1.55591770e-03 -1.54987138e-03 0.00000000e+00 0.00000000e+00 13 -- 8 3/2 + --> 1/2 - 4.48878775e+01 E1, M2 2.00999636e-01 -3.36119646e-01 0.00000000e+00 0.00000000e+00 13 -- 9 3/2 + --> 3/2 - 3.77384072e+01 E1, M2 -4.40326475e-01 -4.36848636e+00 0.00000000e+00 0.00000000e+00 13 -- 10 3/2 + --> 3/2 + 3.60617839e+01 M1, E2 -4.00123917e-01 -4.00124318e-01 0.00000000e+00 0.00000000e+00 13 -- 11 3/2 + --> 5/2 + 1.97456073e+01 M1, E2 1.00027169e-01 9.97768463e-02 0.00000000e+00 0.00000000e+00 13 -- 12 3/2 + --> 1/2 + 3.74972086e+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 -2.92167955e+00 -6.54210580e-01 -3.37366495e+00 -7.55417309e-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 -3.91655815e-01 1.91390850e-01 4.30935669e-04 1.02998433e-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 4.04391160e-02 -3.69413129e-02 5.67820528e-06 4.73718303e-06 14 -- 6 5/2 + --> 1/2 + 1.30048402e+02 E2 2.92166506e+00 -4.51855012e-01 3.37364822e+00 -5.21757226e-01 14 -- 7 5/2 + --> 3/2 - 1.13543000e+02 E1, M2 3.21722546e-02 -3.51982578e-02 1.28705240e-06 1.54047933e-06 14 -- 8 5/2 + --> 1/2 - 9.29108425e+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 9.30125573e-02 -1.23787183e-01 -6.14017698e-06 -1.08764020e-05 14 -- 10 5/2 + --> 3/2 + 8.40847490e+01 M1, E2 3.70672734e-01 3.74338810e-01 5.77953385e-03 -7.90197061e-03 14 -- 11 5/2 + --> 5/2 + 6.77685723e+01 M1, E2 -4.30610407e-01 -4.18593716e-01 1.33861781e-02 -1.19383699e-02 14 -- 12 5/2 + --> 1/2 + 5.17726859e+01 E2 -1.37928318e-01 1.85897306e-01 -1.59265903e-01 2.14655720e-01 14 -- 13 5/2 + --> 3/2 + 4.80229650e+01 M1, E2 3.73465855e-01 3.72619345e-01 -2.31916322e-03 8.30518143e-04 15 -- 1 3/2 + --> 1/2 + 2.63985694e+02 M1, E2 3.72464458e-01 4.14111828e-01 0.00000000e+00 0.00000000e+00 15 -- 2 3/2 + --> 1/2 - 2.47877513e+02 E1, M2 -3.74584107e-01 2.14119626e-01 0.00000000e+00 0.00000000e+00 15 -- 3 3/2 + --> 3/2 - 2.34352003e+02 E1, M2 3.33270344e-01 -1.82105931e-01 0.00000000e+00 0.00000000e+00 15 -- 4 3/2 + --> 1/2 - 1.87398567e+02 E1, M2 -2.19099330e-01 1.52337635e-01 0.00000000e+00 0.00000000e+00 15 -- 5 3/2 + --> 5/2 - 1.80438872e+02 E1, M2 -8.04676570e-03 7.42288466e-03 0.00000000e+00 0.00000000e+00 15 -- 6 3/2 + --> 1/2 + 1.53254689e+02 M1, E2 6.44705084e-01 4.80489702e-01 0.00000000e+00 0.00000000e+00 15 -- 7 3/2 + --> 3/2 - 1.36749287e+02 E1, M2 4.32632513e-02 -3.90316800e-02 0.00000000e+00 0.00000000e+00 15 -- 8 3/2 + --> 1/2 - 1.16117129e+02 E1, M2 5.85732826e-02 -6.63443934e-02 0.00000000e+00 0.00000000e+00 15 -- 9 3/2 + --> 3/2 - 1.08967659e+02 E1, M2 -4.23281333e-02 4.73376103e-02 0.00000000e+00 0.00000000e+00 15 -- 10 3/2 + --> 3/2 + 1.07291035e+02 M1, E2 -3.08789755e-01 -2.87541408e-01 0.00000000e+00 0.00000000e+00 15 -- 11 3/2 + --> 5/2 + 9.09748587e+01 M1, E2 1.01926246e-01 9.50405195e-02 0.00000000e+00 0.00000000e+00 15 -- 12 3/2 + --> 1/2 + 7.49789723e+01 M1, E2 4.86663829e-01 5.13661497e-01 0.00000000e+00 0.00000000e+00 15 -- 13 3/2 + --> 3/2 + 7.12292514e+01 M1, E2 -3.99826040e-01 -3.99826346e-01 0.00000000e+00 0.00000000e+00 15 -- 14 3/2 + --> 5/2 + 2.32062864e+01 M1, E2 9.95021899e-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 + 1.74252108e+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 + 1.11972278e+02 E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 12 1/2 + --> 1/2 + 9.59763911e+01 M1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 16 -- 13 1/2 + --> 3/2 + 9.22266702e+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 + 2.09974188e+01 M1, E2 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 --------------------------------------------------------------------------------------------------------------------------------------------------------- testModule_PhotoEmission():: [Fail] JAC processes: Test Failed at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 Expression: TestFrames.testModule_PhotoEmission() Stacktrace: [1] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [3] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [5] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] Test the module PhotoExcitation ... (Re-) Define the standard grid with 392 grid points. >>> 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 -6.18829676e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176868e-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 +3.51600825e-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 -1.30004326e-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 ----------------------------------------------------------------------------- >> (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 = 8.7016e-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 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -9.711504212087e+02 -2.642634899500e+04 -2.642634899500e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -9.705584564958e+02 -2.641024081468e+04 -2.641024081468e+04 1.610818031e+01 1.610818031e+01 3 3/2 - -9.700614031750e+02 -2.639671530490e+04 -2.639671530490e+04 1.352550979e+01 2.963369010e+01 4 1/2 - -9.683358962076e+02 -2.634976186873e+04 -2.634976186873e+04 4.695343617e+01 7.658712627e+01 5 5/2 - -9.680801321293e+02 -2.634280217366e+04 -2.634280217366e+04 6.959695065e+00 8.354682133e+01 6 1/2 + -9.670811318065e+02 -2.631561799024e+04 -2.631561799024e+04 2.718418342e+01 1.107310048e+02 7 3/2 - -9.664745694674e+02 -2.629911258829e+04 -2.629911258829e+04 1.650540195e+01 1.272364067e+02 8 1/2 - -9.657163516432e+02 -2.627848043039e+04 -2.627848043039e+04 2.063215790e+01 1.478685646e+02 9 3/2 - -9.654536134555e+02 -2.627133096014e+04 -2.627133096014e+04 7.149470248e+00 1.550180349e+02 10 3/2 + -9.653919986850e+02 -2.626965433684e+04 -2.626965433684e+04 1.676623305e+00 1.566946582e+02 11 5/2 + -9.647923902488e+02 -2.625333816022e+04 -2.625333816022e+04 1.631617662e+01 1.730108348e+02 12 1/2 + -9.642045522592e+02 -2.623734227377e+04 -2.623734227377e+04 1.599588645e+01 1.890067212e+02 13 3/2 + -9.640667525580e+02 -2.623359255290e+04 -2.623359255290e+04 3.749720863e+00 1.927564421e+02 14 5/2 + -9.623019411298e+02 -2.618556958788e+04 -2.618556958788e+04 4.802296503e+01 2.407794071e+02 15 3/2 + -9.614491258272e+02 -2.616236330147e+04 -2.616236330147e+04 2.320628640e+01 2.639856935e+02 16 1/2 + -9.606774849133e+02 -2.614136588270e+04 -2.614136588270e+04 2.099741878e+01 2.849831123e+02 (Re-) Define the standard grid with 392 grid points. >>> 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 -6.18829676e-07 4 4s_1/2 -4.10942173e+01 -4.10855060e+01 -2.11983053e-04 5 5s_1/2 -2.63069338e+01 -2.62329647e+01 -2.81176868e-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 +3.51600825e-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 -1.30004326e-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 ----------------------------------------------------------------------------- >> (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 = 8.7016e-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 3/2^+ ... ... 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 3 x 3 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^- ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -9.711504212087e+02 -2.642634899500e+04 -2.642634899500e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -9.705584564958e+02 -2.641024081468e+04 -2.641024081468e+04 1.610818031e+01 1.610818031e+01 3 3/2 - -9.700614031750e+02 -2.639671530490e+04 -2.639671530490e+04 1.352550979e+01 2.963369010e+01 4 1/2 - -9.683358962076e+02 -2.634976186873e+04 -2.634976186873e+04 4.695343617e+01 7.658712627e+01 5 5/2 - -9.680801321293e+02 -2.634280217366e+04 -2.634280217366e+04 6.959695065e+00 8.354682133e+01 6 1/2 + -9.670811318065e+02 -2.631561799024e+04 -2.631561799024e+04 2.718418342e+01 1.107310048e+02 7 3/2 - -9.664745694674e+02 -2.629911258829e+04 -2.629911258829e+04 1.650540195e+01 1.272364067e+02 8 1/2 - -9.657163516432e+02 -2.627848043039e+04 -2.627848043039e+04 2.063215790e+01 1.478685646e+02 9 3/2 - -9.654536134555e+02 -2.627133096014e+04 -2.627133096014e+04 7.149470248e+00 1.550180349e+02 10 3/2 + -9.653919986850e+02 -2.626965433684e+04 -2.626965433684e+04 1.676623305e+00 1.566946582e+02 11 5/2 + -9.647923902488e+02 -2.625333816022e+04 -2.625333816022e+04 1.631617662e+01 1.730108348e+02 12 1/2 + -9.642045522592e+02 -2.623734227377e+04 -2.623734227377e+04 1.599588645e+01 1.890067212e+02 13 3/2 + -9.640667525580e+02 -2.623359255290e+04 -2.623359255290e+04 3.749720863e+00 1.927564421e+02 14 5/2 + -9.623019411298e+02 -2.618556958788e+04 -2.618556958788e+04 4.802296503e+01 2.407794071e+02 15 3/2 + -9.614491258272e+02 -2.616236330147e+04 -2.616236330147e+04 2.320628640e+01 2.639856935e+02 16 1/2 + -9.606774849133e+02 -2.614136588270e+04 -2.614136588270e+04 2.099741878e+01 2.849831123e+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 - 1.61081803e+01 E1(Coulomb), E1(Babushkin) 1 -- 3 1/2 + --> 3/2 - 2.96336901e+01 E1(Coulomb), E1(Babushkin) 1 -- 4 1/2 + --> 1/2 - 7.65871263e+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 - 1.38909855e+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 - 5.39131312e+01 M1(Magnetic) 3 -- 6 3/2 - --> 1/2 + 8.10973147e+01 E1(Coulomb), E1(Babushkin) 3 -- 7 3/2 - --> 3/2 - 9.76027166e+01 M1(Magnetic) 3 -- 8 3/2 - --> 1/2 - 1.18234875e+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 + 3.41438785e+01 E1(Coulomb), E1(Babushkin) 4 -- 7 1/2 - --> 3/2 - 5.06492804e+01 M1(Magnetic) 4 -- 8 1/2 - --> 1/2 - 7.12814383e+01 M1(Magnetic) 4 -- 9 1/2 - --> 3/2 - 7.84309086e+01 M1(Magnetic) 4 -- 10 1/2 - --> 3/2 + 8.01075319e+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 - 4.36895854e+01 M1(Magnetic) 5 -- 9 5/2 - --> 3/2 - 7.14712135e+01 M1(Magnetic) 5 -- 10 5/2 - --> 3/2 + 7.31478368e+01 E1(Coulomb), E1(Babushkin) 5 -- 11 5/2 - --> 5/2 + 8.94640134e+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 - 1.65054020e+01 E1(Coulomb), E1(Babushkin) 6 -- 8 1/2 + --> 1/2 - 3.71375599e+01 E1(Coulomb), E1(Babushkin) 6 -- 9 1/2 + --> 3/2 - 4.42870301e+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 + 1.74252108e+02 M1(Magnetic) 7 -- 8 3/2 - --> 1/2 - 2.06321579e+01 M1(Magnetic) 7 -- 9 3/2 - --> 3/2 - 2.77816282e+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 + 6.17703145e+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 - 7.14947025e+00 M1(Magnetic) 8 -- 10 1/2 - --> 3/2 + 8.82609355e+00 E1(Coulomb), E1(Babushkin) 8 -- 12 1/2 - --> 1/2 + 4.11381566e+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 + 1.67662331e+00 E1(Coulomb), E1(Babushkin) 9 -- 11 3/2 - --> 5/2 + 1.79927999e+01 E1(Coulomb), E1(Babushkin) 9 -- 12 3/2 - --> 1/2 + 3.39886864e+01 E1(Coulomb), E1(Babushkin) 9 -- 13 3/2 - --> 3/2 + 3.77384072e+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 + 3.60617839e+01 M1(Magnetic) 10 -- 14 3/2 + --> 5/2 + 8.40847490e+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 + 1.97456073e+01 M1(Magnetic) 11 -- 14 5/2 + --> 5/2 + 6.77685723e+01 M1(Magnetic) 11 -- 15 5/2 + --> 3/2 + 9.09748587e+01 M1(Magnetic) 12 -- 13 1/2 + --> 3/2 + 3.74972086e+00 M1(Magnetic) 12 -- 15 1/2 + --> 3/2 + 7.49789723e+01 M1(Magnetic) 12 -- 16 1/2 + --> 1/2 + 9.59763911e+01 M1(Magnetic) 13 -- 14 3/2 + --> 5/2 + 4.80229650e+01 M1(Magnetic) 13 -- 15 3/2 + --> 3/2 + 7.12292514e+01 M1(Magnetic) 13 -- 16 3/2 + --> 1/2 + 9.22266702e+01 M1(Magnetic) 14 -- 15 5/2 + --> 3/2 + 2.32062864e+01 M1(Magnetic) 15 -- 16 3/2 + --> 1/2 + 2.09974188e+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 - 1.61081803e+01 E1 1.0961e-04 2.4332e-05 1.2031e-02 2.6707e-03 1 -- 3 1/2 + --> 3/2 - 2.96336901e+01 E1 1.7808e-03 4.8501e-04 1.9546e-01 5.3235e-02 1 -- 4 1/2 + --> 1/2 - 7.65871263e+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 - 1.38909855e+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 - 5.39131312e+01 M1 1.0426e-04 1.0426e-04 1.1443e-02 1.1443e-02 3 -- 6 3/2 - --> 1/2 + 8.10973147e+01 E1 6.6958e-03 3.1820e-02 7.3494e-01 3.4926e+00 3 -- 7 3/2 - --> 3/2 - 9.76027166e+01 M1 2.8989e-05 2.8989e-05 3.1819e-03 3.1819e-03 3 -- 8 3/2 - --> 1/2 - 1.18234875e+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 + 3.41438785e+01 E1 1.5349e-10 2.2266e-03 1.6848e-08 2.4439e-01 4 -- 7 1/2 - --> 3/2 - 5.06492804e+01 M1 1.4651e-05 1.4651e-05 1.6081e-03 1.6081e-03 4 -- 8 1/2 - --> 1/2 - 7.12814383e+01 M1 7.3700e-06 7.3700e-06 8.0894e-04 8.0894e-04 4 -- 9 1/2 - --> 3/2 - 7.84309086e+01 M1 5.1416e-06 5.1416e-06 5.6435e-04 5.6435e-04 4 -- 10 1/2 - --> 3/2 + 8.01075319e+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 - 4.36895854e+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 + 7.31478368e+01 E1 1.4039e-02 2.1712e-02 1.5409e+00 2.3831e+00 5 -- 11 5/2 - --> 5/2 + 8.94640134e+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 - 1.65054020e+01 E1 3.7124e-04 3.2925e-04 4.0748e-02 3.6139e-02 6 -- 8 1/2 + --> 1/2 - 3.71375599e+01 E1 2.6997e-04 2.9057e-03 2.9632e-02 3.1894e-01 6 -- 9 1/2 + --> 3/2 - 4.42870301e+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 + 1.74252108e+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 - 2.77816282e+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 + 6.17703145e+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 2.0330e-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 - 7.14947025e+00 M1 6.8077e-06 6.8077e-06 7.4722e-04 7.4722e-04 8 -- 10 1/2 - --> 3/2 + 8.82609355e+00 E1 1.8233e-03 1.3188e-05 2.0013e-01 1.4475e-03 8 -- 12 1/2 - --> 1/2 + 4.11381566e+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 + 1.67662331e+00 E1 4.9483e-04 3.5449e-05 5.4313e-02 3.8909e-03 9 -- 11 3/2 - --> 5/2 + 1.79927999e+01 E1 3.5526e-02 4.0028e-03 3.8994e+00 4.3935e-01 9 -- 12 3/2 - --> 1/2 + 3.39886864e+01 E1 9.1640e-06 3.3389e-04 1.0059e-03 3.6649e-02 9 -- 13 3/2 - --> 3/2 + 3.77384072e+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 + 3.60617839e+01 M1 1.9183e-05 1.9183e-05 2.1055e-03 2.1055e-03 10 -- 14 3/2 + --> 5/2 + 8.40847490e+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 + 1.97456073e+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 + 9.09748587e+01 M1 3.6148e-05 3.6148e-05 3.9676e-03 3.9676e-03 12 -- 13 1/2 + --> 3/2 + 3.74972086e+00 M1 6.0720e-06 6.0720e-06 6.6647e-04 6.6647e-04 12 -- 15 1/2 + --> 3/2 + 7.49789723e+01 M1 1.7556e-06 1.7556e-06 1.9270e-04 1.9270e-04 12 -- 16 1/2 + --> 1/2 + 9.59763911e+01 M1 2.8444e-05 2.8444e-05 3.1220e-03 3.1220e-03 13 -- 14 3/2 + --> 5/2 + 4.80229650e+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 + 9.22266702e+01 M1 4.9623e-10 4.9623e-10 5.4467e-08 5.4467e-08 14 -- 15 5/2 + --> 3/2 + 2.32062864e+01 M1 9.4764e-05 9.4764e-05 1.0401e-02 1.0401e-02 15 -- 16 3/2 + --> 1/2 + 2.09974188e+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 - 1.61081803e+01 E1 5.8861e-03 1.3066e-03 1 -- 3 1/2 + --> 3/2 - 2.96336901e+01 E1 9.5628e-02 2.6045e-02 1 -- 4 1/2 + --> 1/2 - 7.65871263e+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 - 1.38909855e+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 - 5.39131312e+01 M1 2.7993e-03 2.7993e-03 3 -- 6 3/2 - --> 1/2 + 8.10973147e+01 E1 1.7978e-01 8.5436e-01 3 -- 7 3/2 - --> 3/2 - 9.76027166e+01 M1 7.7834e-04 7.7834e-04 3 -- 8 3/2 - --> 1/2 - 1.18234875e+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 + 3.41438785e+01 E1 8.2425e-09 1.1956e-01 4 -- 7 1/2 - --> 3/2 - 5.06492804e+01 M1 7.8675e-04 7.8675e-04 4 -- 8 1/2 - --> 1/2 - 7.12814383e+01 M1 3.9576e-04 3.9576e-04 4 -- 9 1/2 - --> 3/2 - 7.84309086e+01 M1 2.7610e-04 2.7610e-04 4 -- 10 1/2 - --> 3/2 + 8.01075319e+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 - 4.36895854e+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 + 7.31478368e+01 E1 2.5130e-01 3.8863e-01 5 -- 11 5/2 - --> 5/2 + 8.94640134e+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 - 1.65054020e+01 E1 1.9935e-02 1.7681e-02 6 -- 8 1/2 + --> 1/2 - 3.71375599e+01 E1 1.4497e-02 1.5604e-01 6 -- 9 1/2 + --> 3/2 - 4.42870301e+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 + 1.74252108e+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 - 2.77816282e+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 + 6.17703145e+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 - 7.14947025e+00 M1 3.6557e-04 3.6557e-04 8 -- 10 1/2 - --> 3/2 + 8.82609355e+00 E1 9.7910e-02 7.0817e-04 8 -- 12 1/2 - --> 1/2 + 4.11381566e+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 + 1.67662331e+00 E1 1.3286e-02 9.5179e-04 9 -- 11 3/2 - --> 5/2 + 1.79927999e+01 E1 9.5386e-01 1.0747e-01 9 -- 12 3/2 - --> 1/2 + 3.39886864e+01 E1 2.4605e-04 8.9649e-03 9 -- 13 3/2 - --> 3/2 + 3.77384072e+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 + 3.60617839e+01 M1 5.1505e-04 5.1505e-04 10 -- 14 3/2 + --> 5/2 + 8.40847490e+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 + 1.97456073e+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 + 9.09748587e+01 M1 6.4703e-04 6.4703e-04 12 -- 13 1/2 + --> 3/2 + 3.74972086e+00 M1 3.2606e-04 3.2606e-04 12 -- 15 1/2 + --> 3/2 + 7.49789723e+01 M1 9.4275e-05 9.4275e-05 12 -- 16 1/2 + --> 1/2 + 9.59763911e+01 M1 1.5274e-03 1.5274e-03 13 -- 14 3/2 + --> 5/2 + 4.80229650e+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 + 9.22266702e+01 M1 1.3324e-08 1.3324e-08 14 -- 15 5/2 + --> 3/2 + 2.32062864e+01 M1 1.6963e-03 1.6963e-03 15 -- 16 3/2 + --> 1/2 + 2.09974188e+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 - 1.61081803e+01 E1 -5.600570e+07 -5.600570e+07 1 -- 3 1/2 + --> 3/2 - 2.96336901e+01 E1 -5.600570e+07 -5.600570e+07 1 -- 4 1/2 + --> 1/2 - 7.65871263e+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 - 1.38909855e+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 - 5.39131312e+01 M1 -5.600570e+07 -5.600570e+07 3 -- 6 3/2 - --> 1/2 + 8.10973147e+01 E1 -5.600570e+07 -5.600570e+07 3 -- 7 3/2 - --> 3/2 - 9.76027166e+01 M1 -5.600570e+07 -5.600570e+07 3 -- 8 3/2 - --> 1/2 - 1.18234875e+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 + 3.41438785e+01 E1 -5.600570e+07 -5.600570e+07 4 -- 7 1/2 - --> 3/2 - 5.06492804e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 8 1/2 - --> 1/2 - 7.12814383e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 9 1/2 - --> 3/2 - 7.84309086e+01 M1 -5.600570e+07 -5.600570e+07 4 -- 10 1/2 - --> 3/2 + 8.01075319e+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 - 4.36895854e+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 + 7.31478368e+01 E1 -5.600570e+07 -5.600570e+07 5 -- 11 5/2 - --> 5/2 + 8.94640134e+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 - 1.65054020e+01 E1 -5.600570e+07 -5.600570e+07 6 -- 8 1/2 + --> 1/2 - 3.71375599e+01 E1 -5.600570e+07 -5.600570e+07 6 -- 9 1/2 + --> 3/2 - 4.42870301e+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 + 1.74252108e+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 - 2.77816282e+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 + 6.17703145e+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 - 7.14947025e+00 M1 -5.600570e+07 -5.600570e+07 8 -- 10 1/2 - --> 3/2 + 8.82609355e+00 E1 -5.600570e+07 -5.600570e+07 8 -- 12 1/2 - --> 1/2 + 4.11381566e+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 + 1.67662331e+00 E1 -5.600570e+07 -5.600570e+07 9 -- 11 3/2 - --> 5/2 + 1.79927999e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 12 3/2 - --> 1/2 + 3.39886864e+01 E1 -5.600570e+07 -5.600570e+07 9 -- 13 3/2 - --> 3/2 + 3.77384072e+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 + 3.60617839e+01 M1 -5.600570e+07 -5.600570e+07 10 -- 14 3/2 + --> 5/2 + 8.40847490e+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 + 1.97456073e+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 + 9.09748587e+01 M1 -5.600570e+07 -5.600570e+07 12 -- 13 1/2 + --> 3/2 + 3.74972086e+00 M1 -5.600570e+07 -5.600570e+07 12 -- 15 1/2 + --> 3/2 + 7.49789723e+01 M1 -5.600570e+07 -5.600570e+07 12 -- 16 1/2 + --> 1/2 + 9.59763911e+01 M1 -5.600570e+07 -5.600570e+07 13 -- 14 3/2 + --> 5/2 + 4.80229650e+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 + 9.22266702e+01 M1 -5.600570e+07 -5.600570e+07 14 -- 15 5/2 + --> 3/2 + 2.32062864e+01 M1 -5.600570e+07 -5.600570e+07 15 -- 16 3/2 + --> 1/2 + 2.09974188e+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 - 1.61081803e+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 - 2.96336901e+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 - 7.65871263e+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 - 1.38909855e+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 - 5.39131312e+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 + 8.10973147e+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 - 9.76027166e+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 - 1.18234875e+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 + 3.41438785e+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 - 5.06492804e+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 - 7.12814383e+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 - 7.84309086e+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 + 8.01075319e+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 - 4.36895854e+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 + 7.31478368e+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 + 8.94640134e+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 - 1.65054020e+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 - 3.71375599e+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 - 4.42870301e+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 + 1.74252108e+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 - 2.77816282e+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 + 6.17703145e+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 - 7.14947025e+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 + 8.82609355e+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 + 4.11381566e+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 + 1.67662331e+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 + 1.79927999e+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 + 3.39886864e+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 + 3.77384072e+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 + 3.60617839e+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 + 8.40847490e+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 + 1.97456073e+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 + 9.09748587e+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 + 3.74972086e+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 + 7.49789723e+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 + 9.59763911e+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 + 4.80229650e+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 + 9.22266702e+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 + 2.32062864e+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 + 2.09974188e+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():: [Fail] JAC processes: Test Failed at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:48 Expression: TestFrames.testModule_PhotoExcitation() Stacktrace: [1] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [3] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [5] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:48 [inlined] [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:784 [inlined] Test the module PhotoIonization ... (Re-) Define the standard grid with 770 grid points. >>> 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 +8.62334518e-06 3 3s_1/2 -7.32843556e+01 -7.32847802e+01 +5.79409593e-06 4 4s_1/2 -4.10853272e+01 -4.10855060e+01 +4.35352566e-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 +1.15766244e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20935180e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29322818e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97487879e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04125084e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35251235e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82591843e-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 -6.74416291e-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 ----------------------------------------------------------------------------- >> (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 [7.3516e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1283245e+02; self-cons'cy = 4.0837e-06 [7.3516e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0689179e+02; self-cons'cy = 3.2176e-06 [4.6509e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0482979e+02; self-cons'cy = 1.3044e-06 [1.8428e-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 [4.5671e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1283251e+02; self-cons'cy = 2.5191e-07 [4.5671e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.0689183e+02; self-cons'cy = 1.9088e-07 [2.7518e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.0482981e+02; self-cons'cy = 7.3538e-08 [1.0415e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -2.326453565557e+03 -6.330602602997e+04 -6.330602602997e+04 0.000000000e+00 0.000000000e+00 (Re-) Define the standard grid with 770 grid points. >>> 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 +8.62334518e-06 3 3s_1/2 -7.32843556e+01 -7.32847802e+01 +5.79409593e-06 4 4s_1/2 -4.10853272e+01 -4.10855060e+01 +4.35352566e-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 +1.15766244e-07 2 3p_1/2 -7.32847734e+01 -7.32847802e+01 +9.20935180e-08 3 4p_1/2 -4.10855030e+01 -4.10855060e+01 +7.29322818e-08 4 5p_1/2 -2.62329632e+01 -2.62329647e+01 +5.97487879e-08 5 6p_1/2 -1.81861541e+01 -1.81861550e+01 +5.04125084e-08 6 7p_1/2 -1.33439706e+01 -1.33439712e+01 +4.35251235e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82591843e-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 -6.74416291e-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 ----------------------------------------------------------------------------- >> (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 [9.7672e-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 = 1.1863e-06 [9.2342e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775906e+02; self-cons'cy = 1.7796e-06 [9.2342e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224949e+02; self-cons'cy = 1.3160e-06 [4.8890e-06 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012914e+02; self-cons'cy = 4.8120e-07 [1.6532e-06 for sym-block kappa = -2] Iteration 6 for symmetries ... 1s_1/2:: en [a.u.] = -5.7363555e+02; self-cons'cy = 6.0347e-08 [4.6770e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.1775908e+02; self-cons'cy = 9.0095e-08 [4.6770e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.1224950e+02; self-cons'cy = 6.3218e-08 [2.3505e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.1012915e+02; self-cons'cy = 2.1478e-08 [7.3793e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 3/2 - -2.218891190361e+03 -6.037910471728e+04 -6.037910471728e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -2.216822151004e+03 -6.032280328864e+04 -6.032280328864e+04 5.630142864e+01 5.630142864e+01 3 1/2 + -2.210106672583e+03 -6.014006581303e+04 -6.014006581303e+04 1.827374756e+02 2.390389043e+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=5.1944e-15]. >> 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 = 0.21028361091301895, cPhase = -1.7535335566626193 >> (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=5.1944e-15]. >> 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 = 0.21028361091301895, cPhase = -1.7535335566626193 >> (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=-8.1360e-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 = 0.6372191757788287, cPhase = 1.1736583217481646 >> (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=-8.1360e-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 = 0.6372191757788287, cPhase = 1.1736583217481646 >> (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=-5.1349e-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 = 0.21400809900712817, cPhase = -1.743308091694897 >> (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=-5.1349e-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 = 0.21400809900712817, cPhase = -1.743308091694897 >> (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=-1.6040e-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 = 0.43306326932635325, cPhase = -0.34253316130065947 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=2.6856e+00, kappa=1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-4.8390e-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 = 0.45409347270562944, cPhase = -0.31150848652849494 >> (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=-1.9323e-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 = 0.09040327425466219, cPhase = -3.0722878109337493 (waC, waB) = (1.4772292154264277 - 2.231770019630731e-18im, 1.4877166930629568 - 2.778422258407228e-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=1.5951e-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 = 0.2051784418184746, cPhase = 2.9512924303337176 >> (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=1.5951e-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 = 0.2051784418184746, cPhase = 2.9512924303337176 >> (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=3.9095e-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 = 0.6175352663599294, cPhase = -1.0483689147944557 >> (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=3.9095e-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 = 0.6175352663599294, cPhase = -1.0483689147944557 >> (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=1.8302e-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 = 0.20917877725546524, cPhase = -3.321252304518154 >> (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=1.8302e-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 = 0.20917877725546524, cPhase = -3.321252304518154 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.9435e+01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=2.0911e-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 = 0.40858209424172764, cPhase = -2.332565323507289 >> (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=1.1235e-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 = 0.429513983410178, cPhase = -2.301235198464904 >> (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=2.8636e-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 = 0.0975269826941762, cPhase = 2.1594942019226364 (waC, waB) = (1.4695830510233077 - 3.0972502135089733e-18im, 1.4753851150323811 - 1.636368826324292e-17im) >> 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=1.4804e-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 = 0.6394913830184993, cPhase = 2.551040757839268 >> (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=1.4804e-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 = 0.6394913830184993, cPhase = 2.551040757839268 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-1.4966e-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 = 0.21540371103303954, cPhase = -0.49839441265283524 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=-1.4966e-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 = 0.21540371103303954, cPhase = -0.49839441265283524 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=6.1655e-01, kappa=-2 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.1144e-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 = 0.43595305580174376, cPhase = 0.990330233666814 >> (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=-6.9377e-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 = 0.4570047207672821, cPhase = 1.021349489689562 (waC, waB) = (1.4312064027500704 + 0.0im, 1.4468855323822778 - 1.3987040056677317e-17im) >> Calculate photoionization amplitudes and properties for line: 1 - 2 for the photon energy 4000.0 eV >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.7366e+01, kappa=-1 [mpt=570, r[mtp]=6.2976e+00, smallest eigenvalue=1.4982e-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 = 0.6194499621807198, cPhase = -1.1423747397881345 >> (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=1.4982e-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 = 0.6194499621807198, cPhase = -1.1423747397881345 >> (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=2.8638e-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 = 0.21042406283373608, cPhase = -3.435479048668442 >> (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=2.8638e-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 = 0.21042406283373608, cPhase = -3.435479048668442 >> (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=1.7719e-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 = 0.41090542611333913, cPhase = -2.434471448899864 >> (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=1.9291e-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 = 0.4318769774559696, cPhase = -2.403164033555687 (waC, waB) = (1.4402379437669415 + 0.0im, 1.4533958722780267 + 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 ... (Re-) Define the standard grid with 910 grid points. >>> 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 +2.39510574e-07 5 5s_1/2 -2.88264419e+00 -2.88376608e+00 +3.89188897e-04 6 6s_1/2 -1.92662024e+00 -2.00224317e+00 +3.92516039e-02 7 7s_1/2 -9.34171672e-01 -1.47082901e+00 +5.74474003e-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 ----------------------------------------------------------------------------- >> (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 [1.5427e-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 [7.1109e-07 for sym-block kappa = -1] > Compute CI matrix of dimension 1 x 1 for the symmetry 0^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.368638873585e+02 -3.724256071109e+03 -3.724256071109e+03 0.000000000e+00 0.000000000e+00 (Re-) Define the standard grid with 910 grid points. >>> 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 +2.39510574e-07 5 5s_1/2 -2.88264419e+00 -2.88376608e+00 +3.89188897e-04 6 6s_1/2 -1.92662024e+00 -2.00224317e+00 +3.92516039e-02 7 7s_1/2 -9.34171672e-01 -1.47082901e+00 +5.74474003e-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 +4.37531258e-08 4 5p_1/2 -2.88288886e+00 -2.88376608e+00 +3.04287376e-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 +4.44326069e-08 4 5p_3/2 -2.88065986e+00 -2.88154739e+00 +3.08100880e-04 5 6p_3/2 -1.93435906e+00 -2.00095940e+00 +3.44301832e-02 6 7p_3/2 -9.71732648e-01 -1.47002067e+00 +5.12783039e-01 7 8p_3/2 +2.91499589e-01 -1.12543844e+00 +4.86085773e+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 +1.81588064e-04 4 6d_3/2 -1.95076415e+00 -2.00095940e+00 +2.57310683e-02 5 7d_3/2 -1.04547073e+00 -1.47002067e+00 +4.06084963e-01 6 8d_3/2 +1.43705963e-01 -1.12543844e+00 +8.83153615e+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 ----------------------------------------------------------------------------- >> (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 [1.0517e-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 [8.0136e-07 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518965e+00; self-cons'cy = 4.3816e-09 [2.5616e-07 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 7.8638e-08 [3.2624e-06 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 2.9598e-08 [7.8906e-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 = 8.2876e-08 [1.1715e-06 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582574e+00; self-cons'cy = 6.3451e-09 [7.9487e-08 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518966e+00; self-cons'cy = 6.0781e-09 [7.4516e-08 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 2.1477e-09 [1.0842e-07 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 1.9292e-09 [1.0698e-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 [5.3883e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3052362e+01; self-cons'cy = 6.1451e-09 [5.3883e-08 for sym-block kappa = -1] 3s_1/2:: en [a.u.] = -5.4414291e+00; self-cons'cy = 3.8545e-09 [5.3883e-08 for sym-block kappa = -1] 3p_1/2:: en [a.u.] = -5.2582573e+00; self-cons'cy = 3.5682e-10 [5.1512e-09 for sym-block kappa = 1] 3p_3/2:: en [a.u.] = -5.2518966e+00; self-cons'cy = 3.4202e-10 [4.9985e-09 for sym-block kappa = -2] 3d_3/2:: en [a.u.] = -5.1132013e+00; self-cons'cy = 1.3505e-10 [7.8150e-09 for sym-block kappa = 2] 3d_5/2:: en [a.u.] = -5.1115538e+00; self-cons'cy = 1.1193e-10 [6.6999e-09 for sym-block kappa = -3] >>> Sign changed for orbital 3d_3/2 > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^+ ... ... done. > Compute CI matrix of dimension 2 x 2 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -1.503662060624e+02 -4.091672877527e+03 -4.091672877527e+03 0.000000000e+00 0.000000000e+00 2 1/2 + -1.427004352047e+02 -3.883076627576e+03 -3.883076627576e+03 2.085962500e+02 2.085962500e+02 3 1/2 - -1.425000505747e+02 -3.877623884058e+03 -3.877623884058e+03 5.452743518e+00 2.140489935e+02 4 3/2 - -1.424942716310e+02 -3.877466630989e+03 -3.877466630989e+03 1.572530689e-01 2.142062465e+02 5 3/2 + -1.424228199334e+02 -3.875522331264e+03 -3.875522331264e+03 1.944299725e+00 2.161505463e+02 6 5/2 + -1.424211637559e+02 -3.875477264379e+03 -3.875477264379e+03 4.506688565e-02 2.161956131e+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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=-1.6571e-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 = 0.1386714724805919, cPhase = -0.39578864054620344 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, 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=4.9704e-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 = 0.2713907344460804, 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=5.4426e-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 = 0.048857804521592774, cPhase = -1.8009656799998717 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, cPhase = -0.399981597525763 >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: >> Continuum B-spline-Galerkin orbital for energy=3.6749e-01, kappa=-2 [mpt=710, r[mtp]=4.6111e+00, smallest eigenvalue=7.8509e-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 = 0.13753287697777827, 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=5.4426e-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 = 0.048857804521592774, 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=5.4426e-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 = 0.048857804521592774, 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 ... (Re-) Define the standard grid with 896 grid points. >>> 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 +8.62345537e-06 3 3s_1/2 -7.32843555e+01 -7.32847802e+01 +5.79417862e-06 4 4s_1/2 -4.10853271e+01 -4.10855060e+01 +4.35358429e-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 +1.15767228e-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 +4.35279694e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82617045e-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 +1.65005194e-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 +1.66983575e-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 ----------------------------------------------------------------------------- >> (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 = 8.6579e-07 [2.8988e-06 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3991483e+02; self-cons'cy = 1.2389e-06 [2.8988e-06 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687460e+02; self-cons'cy = 3.0588e-07 [6.0029e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437151e+02; self-cons'cy = 1.6013e-07 [3.3285e-07 for sym-block kappa = -2] Iteration 5 for symmetries ... 1s_1/2:: en [a.u.] = -6.1476594e+02; self-cons'cy = 1.9629e-08 [4.8447e-08 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.3991482e+02; self-cons'cy = 2.8011e-08 [4.8447e-08 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3687460e+02; self-cons'cy = 4.3265e-09 [8.0545e-09 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3437150e+02; self-cons'cy = 2.0388e-09 [3.9916e-09 for sym-block kappa = -2] > 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 3/2^- ... ... done. > 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 2 x 2 for the symmetry 5/2^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 - -1.731094151471e+03 -4.710547119264e+04 -4.710547119264e+04 0.000000000e+00 0.000000000e+00 2 3/2 - -1.728766540929e+03 -4.704213368367e+04 -4.704213368367e+04 6.333750898e+01 6.333750898e+01 3 1/2 + -1.257364931594e+03 -3.421464252161e+04 -3.421464252161e+04 1.282749116e+04 1.289082867e+04 4 3/2 + -1.255614623716e+03 -3.416701421830e+04 -3.416701421830e+04 4.762830331e+01 1.293845697e+04 5 5/2 + -1.255034461653e+03 -3.415122720444e+04 -3.415122720444e+04 1.578701386e+01 1.295424399e+04 6 1/2 + -1.254492362016e+03 -3.413647592196e+04 -3.413647592196e+04 1.475128248e+01 1.296899527e+04 7 3/2 + -1.254334448989e+03 -3.413217888962e+04 -3.413217888962e+04 4.297032336e+00 1.297329230e+04 8 5/2 + -1.252648150626e+03 -3.408629237392e+04 -3.408629237392e+04 4.588651571e+01 1.301917882e+04 9 3/2 + -1.251833479082e+03 -3.406412403206e+04 -3.406412403206e+04 2.216834185e+01 1.304134716e+04 10 1/2 + -1.251327368726e+03 -3.405035206779e+04 -3.405035206779e+04 1.377196427e+01 1.305511912e+04 (Re-) Define the standard grid with 896 grid points. >>> 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 +8.62345537e-06 3 3s_1/2 -7.32843555e+01 -7.32847802e+01 +5.79417862e-06 4 4s_1/2 -4.10853271e+01 -4.10855060e+01 +4.35358429e-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 +1.15767228e-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 +4.35279694e-08 7 8p_1/2 -1.02061690e+01 -1.02061694e+01 +3.82617045e-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 +1.65005194e-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 +1.66983575e-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 ----------------------------------------------------------------------------- >> (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 [8.5068e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -1.4280196e+02; self-cons'cy = 4.0762e-07 [8.5068e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -1.3961606e+02; self-cons'cy = 3.9248e-07 [7.6258e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -1.3719412e+02; self-cons'cy = 2.2376e-07 [4.2624e-07 for sym-block kappa = -2] > 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. > Compute CI matrix of dimension 1 x 1 for the symmetry 1^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -1.593355089239e+03 -4.335740040021e+04 -4.335740040021e+04 0.000000000e+00 0.000000000e+00 2 0 + -1.586788568400e+03 -4.317871626686e+04 -4.317871626686e+04 1.786841334e+02 1.786841334e+02 3 1 + -1.584977483105e+03 -4.312943412577e+04 -4.312943412577e+04 4.928214109e+01 2.279662744e+02 4 2 + -1.584554733497e+03 -4.311793052300e+04 -4.311793052300e+04 1.150360277e+01 2.394698772e+02 5 2 + -1.582315474697e+03 -4.305699718740e+04 -4.305699718740e+04 6.093333560e+01 3.004032128e+02 6 0 + -1.581063197341e+03 -4.302292098486e+04 -4.302292098486e+04 3.407620254e+01 3.344794153e+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 = 0.2351739964763131, cPhase = 0.31883897058570243 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 = -0.1271290517115259, cPhase = -1.164919747969982 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 = -0.1316791388368383, cPhase = 0.3201971803286532 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 2.067171e+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 + 4.837528e-14 2.067171e+13 5.000248e-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 3.238442e-03 -------------------------------------------------------------------------------------------------------- testModule_AutoIonization():: [OK] Test the module DielectronicRecombination ... (Re-) Define the standard grid with 609 grid points. >>> 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 +1.36549716e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644988e-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 -5.07054135e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.04223718e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38931086e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38471985e-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 ----------------------------------------------------------------------------- >> (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 [7.3304e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.2999166e+01; self-cons'cy = 2.4090e-07 [7.3304e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -7.1210909e+01; self-cons'cy = 5.7381e-08 [1.7602e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -7.0586575e+01; self-cons'cy = 4.1243e-08 [1.3146e-07 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 3/2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 1/2^- ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 1/2 + -7.410395746438e+02 -2.016471392173e+04 -2.016471392173e+04 0.000000000e+00 0.000000000e+00 2 1/2 - -7.392505891615e+02 -2.011603314719e+04 -2.011603314719e+04 4.868077454e+01 4.868077454e+01 3 3/2 - -7.386435657274e+02 -2.009951519820e+04 -2.009951519820e+04 1.651794899e+01 6.519872353e+01 (Re-) Define the standard grid with 609 grid points. >>> 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 +1.36549716e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644988e-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 -5.07054135e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.04223718e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38931086e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38471985e-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 ----------------------------------------------------------------------------- >> (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 [9.2151e-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 [2.2648e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -6.9663447e+01; self-cons'cy = 2.2649e-08 [2.2648e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.7562726e+01; self-cons'cy = 1.1229e-09 [9.1208e-09 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.6959378e+01; self-cons'cy = 5.6722e-10 [4.9158e-09 for sym-block kappa = -2] > Compute CI matrix of dimension 1 x 1 for the symmetry 2^- ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 0^- ... ... 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. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 + -8.125023887149e+02 -2.210931614149e+04 -2.210931614149e+04 0.000000000e+00 0.000000000e+00 2 0 - -8.111876942713e+02 -2.207354148349e+04 -2.207354148349e+04 3.577465800e+01 3.577465800e+01 3 1 - -8.110371461623e+02 -2.206944486078e+04 -2.206944486078e+04 4.096622709e+00 3.987128071e+01 4 2 - -8.106013225399e+02 -2.205758549596e+04 -2.205758549596e+04 1.185936483e+01 5.173064554e+01 5 1 - -8.092730363083e+02 -2.202144098656e+04 -2.202144098656e+04 3.614450939e+01 8.787515493e+01 (Re-) Define the standard grid with 609 grid points. >>> 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 +1.36549716e-07 7 8p_1/2 -5.30236876e+00 -5.30306679e+00 +1.31644988e-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 -5.07054135e-13 5 6p_3/2 -9.41010352e+00 -9.41010352e+00 -3.04223718e-12 6 7p_3/2 -6.91195130e+00 -6.91195226e+00 +1.38931086e-07 7 8p_3/2 -5.29020968e+00 -5.29094223e+00 +1.38471985e-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 ----------------------------------------------------------------------------- >> (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 [3.3839e-07 for sym-block kappa = -1] 2s_1/2:: en [a.u.] = -7.0982714e+01; self-cons'cy = 4.2042e-08 [3.3839e-07 for sym-block kappa = -1] 2p_1/2:: en [a.u.] = -6.9237188e+01; self-cons'cy = 1.9159e-08 [1.2560e-07 for sym-block kappa = 1] 2p_3/2:: en [a.u.] = -6.8583374e+01; self-cons'cy = 1.0098e-08 [7.2289e-08 for sym-block kappa = -2] > Compute CI matrix of dimension 2 x 2 for the symmetry 3^+ ... ... done. > Compute CI matrix of dimension 1 x 1 for the symmetry 2^- ... ... 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 2 x 2 for the symmetry 1^- ... ... done. > Compute CI matrix of dimension 3 x 3 for the symmetry 0^+ ... ... done. > Compute CI matrix of dimension 6 x 6 for the symmetry 1^+ ... ... done. Level energies: Level J Parity Total [Hartree] Total [eV] Total [eV] To lower [eV] To lowest [eV] 1 0 - -5.698773548960e+02 -1.550715268813e+04 -1.550715268813e+04 0.000000000e+00 0.000000000e+00 2 1 - -5.697458560315e+02 -1.550357442177e+04 -1.550357442177e+04 3.578266363e+00 3.578266363e+00 3 1 + -5.694049761486e+02 -1.549429860769e+04 -1.549429860769e+04 9.275814080e+00 1.285408044e+01 4 2 - -5.692259223038e+02 -1.548942630440e+04 -1.548942630440e+04 4.872303288e+00 1.772638373e+01 5 2 + -5.691262676117e+02 -1.548671456210e+04 -1.548671456210e+04 2.711742295e+00 2.043812603e+01 6 3 + -5.688422831398e+02 -1.547898695102e+04 -1.547898695102e+04 7.727611087e+00 2.816573711e+01 7 1 - -5.685780721410e+02 -1.547179740354e+04 -1.547179740354e+04 7.189547480e+00 3.535528459e+01 8 0 + -5.677000850868e+02 -1.544790615888e+04 -1.544790615888e+04 2.389124465e+01 5.924652925e+01 9 1 + -5.675564790931e+02 -1.544399844075e+04 -1.544399844075e+04 3.907718131e+00 6.315424738e+01 10 2 + -5.674694844830e+02 -1.544163119684e+04 -1.544163119684e+04 2.367243916e+00 6.552149129e+01 11 1 + -5.673185067080e+02 -1.543752288232e+04 -1.543752288232e+04 4.108314515e+00 6.962980581e+01 12 3 + -5.672835048414e+02 -1.543657043302e+04 -1.543657043302e+04 9.524493042e-01 7.058225511e+01 13 2 + -5.670421390487e+02 -1.543000253526e+04 -1.543000253526e+04 6.567897757e+00 7.715015287e+01 14 1 + -5.667113751567e+02 -1.542100199131e+04 -1.542100199131e+04 9.000543948e+00 8.615069682e+01 15 0 + -5.666452407849e+02 -1.541920238340e+04 -1.541920238340e+04 1.799607918e+00 8.795030474e+01 16 2 + -5.663420052856e+02 -1.541095092517e+04 -1.541095092517e+04 8.251458227e+00 9.620176296e+01 17 1 + -5.661704700438e+02 -1.540628321349e+04 -1.540628321349e+04 4.667711683e+00 1.008694746e+02 18 2 + -5.659058362130e+02 -1.539908216016e+04 -1.539908216016e+04 7.201053322e+00 1.080705280e+02 19 1 + -5.654774770919e+02 -1.538742591476e+04 -1.538742591476e+04 1.165624540e+01 1.197267734e+02 20 0 + -5.652847314896e+02 -1.538218103977e+04 -1.538218103977e+04 5.244874989e+00 1.249716484e+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 = 0.159081026016707, cPhase = -0.6052539162841166 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 the module Cascade for the StepwiseDecayScheme ... Cascade computation Cascade after neon 1s --> 3p excitation for a stepwise decay scheme, in JenaAtomicCalculator.Cascade.AverageSCA() approach as well as for Z = 10.0 and initial configurations: 1s^1 2s^2 2p^6 3p^1 , ... in addition, the following parameters/settings are defined: > cascade scheme: Stepwise decay (scheme) of an atomic cascade with: processes: JenaAtomicCalculator.Basics.AbstractProcess[Auger(), Radiative()] maxElectronLoss: 1 chargeStateShifts: Dict{Int64, Float64}() NoShakeDisplacements: 0 decayShells: Shell[1s, 2s, 2p, 3p] shakeFromShells: Shell[] shakeToShells: Shell[] > nuclearModel: Fermi nuclear model for Z = 10.0 with mass = 20.5, radius R = 2.8580081360657426 fm and nuclear spin I = 0, dipole moment mu = 0.0 and quadrupole moment Q = 0.0. > grid: Radial grid: rnt = 2.0e-5, h = 0.05, hp = 0.015, NoPoints = 896, ntL = 141, ntS = 143, orderL = 7, orderS = 8, nsL = 134, nsS = 135, mesh = JenaAtomicCalculator.Radial.MeshGL(), ... r: [1.7803442979210846e-7, 9.041945439686914e-7, 2.0785160238497323e-6] ... [9.473332164122244, 9.490413563951174, 9.500976115571474] wr: [4.529737957260826e-7, 9.784858938968317e-7, 1.3357458585116235e-6] ... [0.019429440293798585, 0.014232822158981969, 0.006588848666558417] tS: [0.0, 0.0, 0.0] ... [9.503565761874208, 9.503565761874208, 9.503565761874208] > asfSettings: generateScf: true eeInteraction: CoulombInteraction() scField: JenaAtomicCalculator.Basics.DFSField(1.0) startScfFrom: StartFromHydrogenic() maxIterationsScf: 24 accuracyScf: 1.0e-6 shellSequenceScf: Subshell[] frozenSubshells: Subshell[] eeInteractionCI: CoulombInteraction() qedModel : NoneQed() jjLS: false levelSelectionCI: Inactive LevelSelection. (Re-) Define the standard grid with 896 grid points. * Configurations and levels for all given initial multiplets of the cascade, relative to the lowest: Configuration: 1s^1 2s^2 2p^6 3p^1 -------------------------------------------- Level J Parity Energy [eV] -------------------------------------------- 1 0 - 0.000000000000000e+00 2 1 - 9.426010334229704e-04 3 2 - 2.892886161750626e-03 4 1 - 8.833938952094329e-02 -------------------------------------------- initialConfigs = Configuration[Configuration: 1s^1 2s^2 2p^6 3p^1 ] wb = [10, 10, 10, 9, 9, 9, 9, 9] Generated configurations for decay configurations and with 10 electrons: ------------------------------------------------------------------------------------- (1) 1s^2 2s^1 2p^6 3p^1 (2) 1s^2 2s^2 2p^5 3p^1 (3) 1s^2 2s^2 2p^6 3p^0 (4) 1s^1 2s^2 2p^6 3p^1 ------------------------------------------------------------------------------------- Generated configurations for decay configurations and with 9 electrons: ------------------------------------------------------------------------------------- (1) 1s^2 2s^0 2p^6 3p^1 (2) 1s^2 2s^1 2p^5 3p^1 (3) 1s^2 2s^1 2p^6 3p^0 (4) 1s^2 2s^2 2p^4 3p^1 (5) 1s^2 2s^2 2p^5 3p^0 ------------------------------------------------------------------------------------- * Generate blocks for the decay cascade: In the cascade approach JenaAtomicCalculator.Cascade.AverageSCA(), the following assumptions/simplifications are made: + orbitals from the initial multiplet are applied throughout; + all blocks (multiplets) are generated from single-CSF levels and without any configuration mixing even in the SC; + only E1 dipole transitions are applied in all radiative decay stets; + for each decay step, a (single) set of continuum orbitals with an configuration averaged energy is applied for all transitions of the same step. Multiplet computations for 1s^2 2s^1 2p^6 3p^1 with 10 electrons ... and 4 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 3p^1 with 10 electrons ... and 10 CSF done. Multiplet computations for 1s^2 2s^2 2p^6 3p^0 with 10 electrons ... and 1 CSF done. Multiplet computations for 1s^2 2s^0 2p^6 3p^1 with 9 electrons ... and 2 CSF done. Multiplet computations for 1s^2 2s^1 2p^5 3p^1 with 9 electrons ... and 18 CSF done. Multiplet computations for 1s^2 2s^1 2p^6 3p^0 with 9 electrons ... and 1 CSF done. Multiplet computations for 1s^2 2s^2 2p^4 3p^1 with 9 electrons ... and 21 CSF done. Multiplet computations for 1s^2 2s^2 2p^5 3p^0 with 9 electrons ... and 2 CSF done. Multiplet computations for 1s^1 2s^2 2p^6 3p^1 with 10 electrons ... and 4 CSF done. * Configuration 'blocks' (multiplets): for the decay cascade ------------------------------------------------------------------------------------------------------------------------------------------------------ No. Configurations No. CSF Range of total energies [eV] ------------------------------------------------------------------------------------------------------------------------------------------------------ 1 [He] 2s^1 2p^6 3p^1 4 -3445.0 ... -3445.0 2 [Be] 2p^5 3p^1 10 -3476.0 ... -3475.0 3 [Ne] 3p^0 1 -3480.0 ... -3480.0 4 [He] 2s^0 2p^6 3p^1 2 -3384.0 ... -3384.0 5 [He] 2s^1 2p^5 3p^1 18 -3421.0 ... -3413.0 6 [He] 2s^1 2p^6 3p^0 1 -3443.0 ... -3443.0 7 [Be] 2p^4 3p^1 21 -3448.0 ... -3443.0 8 [Be] 2p^5 3p^0 2 -3474.0 ... -3474.0 9 [Core] 1s^1 2s^2 2p^6 3p^1 4 -2634.0 ... -2634.0 ------------------------------------------------------------------------------------------------------------------------------------------------------ * 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 4, [He] 2s^1 2p^6 3p^1 10, [Be] 2p^5 3p^1 30.0 ... 31.0 2 Radiative 4, [He] 2s^1 2p^6 3p^1 1, [Ne] 3p^0 35.0 ... 35.0 3 Auger 4, [He] 2s^1 2p^6 3p^1 21, [Be] 2p^4 3p^1 -2.0 ... 3.0 4 Auger 4, [He] 2s^1 2p^6 3p^1 2, [Be] 2p^5 3p^0 29.0 ... 29.0 5 Radiative 10, [Be] 2p^5 3p^1 1, [Ne] 3p^0 4.0 ... 5.0 6 Radiative 2, [He] 2s^0 2p^6 3p^1 18, [He] 2s^1 2p^5 3p^1 29.0 ... 37.0 7 Radiative 2, [He] 2s^0 2p^6 3p^1 1, [He] 2s^1 2p^6 3p^0 58.0 ... 58.0 8 Radiative 2, [He] 2s^0 2p^6 3p^1 21, [Be] 2p^4 3p^1 58.0 ... 64.0 9 Radiative 2, [He] 2s^0 2p^6 3p^1 2, [Be] 2p^5 3p^0 90.0 ... 90.0 10 Radiative 18, [He] 2s^1 2p^5 3p^1 1, [He] 2s^1 2p^6 3p^0 21.0 ... 30.0 11 Radiative 18, [He] 2s^1 2p^5 3p^1 21, [Be] 2p^4 3p^1 21.0 ... 35.0 12 Radiative 18, [He] 2s^1 2p^5 3p^1 2, [Be] 2p^5 3p^0 53.0 ... 61.0 13 Radiative 1, [He] 2s^1 2p^6 3p^0 21, [Be] 2p^4 3p^1 -0.0 ... 6.0 14 Radiative 1, [He] 2s^1 2p^6 3p^0 2, [Be] 2p^5 3p^0 31.0 ... 31.0 15 Radiative 21, [Be] 2p^4 3p^1 1, [He] 2s^1 2p^6 3p^0 -6.0 ... 0.0 16 Radiative 21, [Be] 2p^4 3p^1 2, [Be] 2p^5 3p^0 26.0 ... 31.0 17 Radiative 4, [Core] 1s^1 2s^2 2p^6 3p^1 4, [He] 2s^1 2p^6 3p^1 810.0 ... 811.0 18 Radiative 4, [Core] 1s^1 2s^2 2p^6 3p^1 10, [Be] 2p^5 3p^1 841.0 ... 842.0 19 Radiative 4, [Core] 1s^1 2s^2 2p^6 3p^1 1, [Ne] 3p^0 846.0 ... 846.0 20 Auger 4, [Core] 1s^1 2s^2 2p^6 3p^1 2, [He] 2s^0 2p^6 3p^1 750.0 ... 750.0 21 Auger 4, [Core] 1s^1 2s^2 2p^6 3p^1 18, [He] 2s^1 2p^5 3p^1 778.0 ... 787.0 22 Auger 4, [Core] 1s^1 2s^2 2p^6 3p^1 1, [He] 2s^1 2p^6 3p^0 808.0 ... 808.0 23 Auger 4, [Core] 1s^1 2s^2 2p^6 3p^1 21, [Be] 2p^4 3p^1 808.0 ... 814.0 24 Auger 4, [Core] 1s^1 2s^2 2p^6 3p^1 2, [Be] 2p^5 3p^0 840.0 ... 840.0 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------- * Here, modify the individual steps explicitly in the code, if needed, ...... and just do it !! A total of 24 steps are still defined in the cascade. 1) Perform Radiative amplitude computations for up to 40 decay lines (without selection rules): Step 1:: A total of 16 Radiative lines are calculated, giving now rise to a total of 16 Radiative decay lines. 2) Perform Radiative amplitude computations for up to 4 decay lines (without selection rules): Step 2:: A total of 2 Radiative lines are calculated, giving now rise to a total of 18 Radiative decay lines. 3) Perform Auger amplitude computations for up to 84 decay lines (without selection rules): >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=1.4646e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=2.2826e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=2.7107e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=5.7934e-01 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=2.1502e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=1.1400e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=7.1187e-01 at r=6.5992e+00 a.u. >> Generate continum orbitals in DFS potential for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 0.1183274410282337 augerEnergyShift = 0.0 Step 3:: A total of 72 Auger lines are calculated, giving now rise to a total of 72 Auger decay lines. 4) Perform Auger amplitude computations for up to 8 decay lines (without selection rules): >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9999e-01 and phase phi=1.4553e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=1.7079e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=1.9836e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9999e-01 and phase phi=2.6367e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9999e-01 and phase phi=1.0659e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=4.1279e-01 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0000e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=1.0000e+00 and phase phi=1.3709e-01 at r=6.5992e+00 a.u. >> Generate continum orbitals in DFS potential for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 1.0657857591632904 augerEnergyShift = 0.0 Step 4:: A total of 8 Auger lines are calculated, giving now rise to a total of 80 Auger decay lines. 5) Perform Radiative amplitude computations for up to 10 decay lines (without selection rules): Step 5:: A total of 0 Radiative lines are calculated, giving now rise to a total of 18 Radiative decay lines. 6) Perform Radiative amplitude computations for up to 36 decay lines (without selection rules): Step 6:: A total of 10 Radiative lines are calculated, giving now rise to a total of 28 Radiative decay lines. 7) Perform Radiative amplitude computations for up to 2 decay lines (without selection rules): Step 7:: A total of 2 Radiative lines are calculated, giving now rise to a total of 30 Radiative decay lines. 8) Perform Radiative amplitude computations for up to 42 decay lines (without selection rules): Step 8:: A total of 0 Radiative lines are calculated, giving now rise to a total of 30 Radiative decay lines. 9) Perform Radiative amplitude computations for up to 4 decay lines (without selection rules): Step 9:: A total of 0 Radiative lines are calculated, giving now rise to a total of 30 Radiative decay lines. 10) Perform Radiative amplitude computations for up to 18 decay lines (without selection rules): Step 10:: A total of 0 Radiative lines are calculated, giving now rise to a total of 30 Radiative decay lines. 11) Perform Radiative amplitude computations for up to 378 decay lines (without selection rules): Step 11:: A total of 109 Radiative lines are calculated, giving now rise to a total of 139 Radiative decay lines. 12) Perform Radiative amplitude computations for up to 36 decay lines (without selection rules): Step 12:: A total of 16 Radiative lines are calculated, giving now rise to a total of 155 Radiative decay lines. 13) Perform Radiative amplitude computations for up to 21 decay lines (without selection rules): Step 13:: A total of 0 Radiative lines are calculated, giving now rise to a total of 155 Radiative decay lines. 14) Perform Radiative amplitude computations for up to 2 decay lines (without selection rules): Step 14:: A total of 2 Radiative lines are calculated, giving now rise to a total of 157 Radiative decay lines. 15) Perform Radiative amplitude computations for up to 21 decay lines (without selection rules): Step 15:: A total of 0 Radiative lines are calculated, giving now rise to a total of 157 Radiative decay lines. 16) Perform Radiative amplitude computations for up to 42 decay lines (without selection rules): Step 16:: A total of 0 Radiative lines are calculated, giving now rise to a total of 157 Radiative decay lines. 17) Perform Radiative amplitude computations for up to 16 decay lines (without selection rules): Step 17:: A total of 0 Radiative lines are calculated, giving now rise to a total of 157 Radiative decay lines. 18) Perform Radiative amplitude computations for up to 40 decay lines (without selection rules): Step 18:: A total of 16 Radiative lines are calculated, giving now rise to a total of 173 Radiative decay lines. 19) Perform Radiative amplitude computations for up to 4 decay lines (without selection rules): Step 19:: A total of 2 Radiative lines are calculated, giving now rise to a total of 175 Radiative decay lines. 20) Perform Auger amplitude computations for up to 8 decay lines (without selection rules): >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9966e-01 and phase phi=7.5129e-01 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9965e-01 and phase phi=7.9885e-01 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9964e-01 and phase phi=8.6448e-01 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9964e-01 and phase phi=1.0012e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9964e-01 and phase phi=2.5720e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9964e-01 and phase phi=2.4353e+00 at r=6.5992e+00 a.u. >> Radial potential with effective charge Zbar=1.0063e+00 (Delta-Zbar=0.0000e+00) at r=9.5010e+00 a.u. >> Pure-sine normalized continuum orbital with normalization constant N=9.9965e-01 and phase phi=2.3696e+00 at r=6.5992e+00 a.u. >> Generate continum orbitals in DFS potential for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 27.558525576927757 augerEnergyShift = 0.0 Step 20:: A total of 8 Auger lines are calculated, giving now rise to a total of 88 Auger decay lines. 21) Perform Auger amplitude computations for up to 72 decay lines (without selection rules): >> No new continum orbitals are generated for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 28.78578926548173 augerEnergyShift = 0.0 Step 21:: A total of 72 Auger lines are calculated, giving now rise to a total of 160 Auger decay lines. 22) Perform Auger amplitude computations for up to 4 decay lines (without selection rules): >> No new continum orbitals are generated for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 29.704107940486587 augerEnergyShift = 0.0 Step 22:: A total of 4 Auger lines are calculated, giving now rise to a total of 164 Auger decay lines. 23) Perform Auger amplitude computations for up to 84 decay lines (without selection rules): >> No new continum orbitals are generated for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 29.842177157913344 augerEnergyShift = 0.0 Step 23:: A total of 84 Auger lines are calculated, giving now rise to a total of 248 Auger decay lines. 24) Perform Auger amplitude computations for up to 8 decay lines (without selection rules): >> No new continum orbitals are generated for Subshell[101d_5/2, 101f_5/2, 101p_3/2, 101s_1/2, 101f_7/2, 101p_1/2, 101d_3/2] and for the energy 30.853417131676245 augerEnergyShift = 0.0 Step 24:: A total of 8 Auger lines are calculated, giving now rise to a total of 256 Auger decay lines. 10.587726 seconds (70.51 M allocations: 1.397 GiB, 7.23% gc time, 8.14% compilation time) typeof(data) = Vector{JenaAtomicCalculator.Cascade.Data} * Write all results to disk; use: JLD2.save(''zzz-cascade-decay-computations-2026-07-29T19.jld'', results) using JLD2 results = JLD2.load(''zzz-cascade-decay-computations-2026-07-29T19.jld'') ... to load the results back from file. testModule_Cascade-StepwiseDecay():: [OK] Test Summary: | Pass Fail Total Time Name | 25 4 29 11m05.7s JAC methods | 1 1 6.9s JAC evaluations | 9 9 2m43.8s JAC representations | 3 3 1m51.2s JAC amplitudes | 1 1 2 3m57.2s JAC properties | 6 1 7 46.1s JAC processes | 4 2 6 59.0s JAC cascades | 1 1 41.4s RNG of the outermost testset: Random.Xoshiro(0xcc1ffd7aeb0c5b39, 0x3cc824edc90bc487, 0xd5f87455f35b8255, 0xa01b32f508423a5f, 0x111116a540c8cd10) ERROR: LoadError: Some tests did not pass: 25 passed, 4 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:4 Testing failed after 695.73s ERROR: LoadError: Package JenaAtomicCalculator errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.14/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/v1.14/Pkg/src/Operations.jl:3247 [3] 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/v1.14/Pkg/src/API.jl:587 [4] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:172 [5] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [6] test(pkg::String; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [inlined] [7] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 1799.37s: package has test failures