# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ca38b168-a8cf-452b-b3c1-5d6b41297b93/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K2YF5 / Pnma (62) / materials id 17077](https://mdr.nims.go.jp/datasets/51aed877-52f9-4489-86e7-427f592bb5fd) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 02:54:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.232813690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.608284940000000Atomic positions (fractional): *1 F 0.92483654982995 0.53480536177740 0.35291749699657 18.998 2 F 0.07516345017005 0.03480536177740 0.64708250300343 18.998 3 F 0.42483654982995 0.53480536177740 0.14708250300343 18.998 4 F 0.57516345017005 0.03480536177740 0.85291749699657 18.998 5 F 0.92483654982995 0.96519463822260 0.35291749699657 18.998 6 F 0.07516345017005 0.46519463822260 0.64708250300343 18.998 7 F 0.42483654982995 0.96519463822260 0.14708250300343 18.998 8 F 0.57516345017005 0.46519463822260 0.85291749699657 18.998 *9 F 0.66635206945972 0.75000000000000 0.12779741984268 18.998 10 F 0.33364793054028 0.25000000000000 0.87220258015732 18.998 11 F 0.16635206945972 0.75000000000000 0.37220258015732 18.998 12 F 0.83364793054028 0.25000000000000 0.62779741984268 18.998 *13 F 0.51278395585928 0.75000000000000 0.60722589645007 18.998 14 F 0.48721604414073 0.25000000000000 0.39277410354993 18.998 15 F 0.01278395585927 0.75000000000000 0.89277410354993 18.998 16 F 0.98721604414072 0.25000000000000 0.10722589645007 18.998 *17 F 0.80892052110633 0.75000000000000 0.65925357300577 18.998 18 F 0.19107947889367 0.25000000000000 0.34074642699423 18.998 19 F 0.30892052110633 0.75000000000000 0.84074642699423 18.998 20 F 0.69107947889367 0.25000000000000 0.15925357300577 18.998 *21 K 0.67119416908060 0.50288551504587 0.46435911886022 39.098 22 K 0.32880583091940 0.00288551504587 0.53564088113978 39.098 23 K 0.17119416908060 0.50288551504587 0.03564088113978 39.098 24 K 0.82880583091940 0.00288551504587 0.96435911886022 39.098 25 K 0.67119416908060 0.99711448495413 0.46435911886022 39.098 26 K 0.32880583091940 0.49711448495413 0.53564088113978 39.098 27 K 0.17119416908060 0.99711448495413 0.03564088113978 39.098 28 K 0.82880583091940 0.49711448495413 0.96435911886022 39.098 *29 Y 0.99733969025910 0.25000000000000 0.43614800308934 88.906 30 Y 0.00266030974090 0.75000000000000 0.56385199691066 88.906 31 Y 0.49733969025910 0.25000000000000 0.06385199691066 88.906 32 Y 0.50266030974090 0.75000000000000 0.93614800308934 88.906-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.232813690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.608284940000000Atomic positions (fractional): *1 F 0.92483654982995 0.53480536177740 0.35291749699657 18.998 > 1 2 F 0.07516345017005 0.03480536177740 0.64708250300343 18.998 > 2 3 F 0.42483654982995 0.53480536177740 0.14708250300343 18.998 > 3 4 F 0.57516345017005 0.03480536177740 0.85291749699657 18.998 > 4 5 F 0.92483654982995 0.96519463822260 0.35291749699657 18.998 > 5 6 F 0.07516345017005 0.46519463822260 0.64708250300343 18.998 > 6 7 F 0.42483654982995 0.96519463822260 0.14708250300343 18.998 > 7 8 F 0.57516345017005 0.46519463822260 0.85291749699657 18.998 > 8 *9 F 0.66635206945972 0.75000000000000 0.12779741984268 18.998 > 9 10 F 0.33364793054028 0.25000000000000 0.87220258015732 18.998 > 10 11 F 0.16635206945972 0.75000000000000 0.37220258015732 18.998 > 11 12 F 0.83364793054028 0.25000000000000 0.62779741984268 18.998 > 12 *13 F 0.51278395585928 0.75000000000000 0.60722589645007 18.998 > 13 14 F 0.48721604414073 0.25000000000000 0.39277410354993 18.998 > 14 15 F 0.01278395585927 0.75000000000000 0.89277410354993 18.998 > 15 16 F 0.98721604414072 0.25000000000000 0.10722589645007 18.998 > 16 *17 F 0.80892052110633 0.75000000000000 0.65925357300577 18.998 > 17 18 F 0.19107947889367 0.25000000000000 0.34074642699423 18.998 > 18 19 F 0.30892052110633 0.75000000000000 0.84074642699423 18.998 > 19 20 F 0.69107947889367 0.25000000000000 0.15925357300577 18.998 > 20 *21 K 0.67119416908060 0.50288551504587 0.46435911886022 39.098 > 21 22 K 0.32880583091940 0.00288551504587 0.53564088113978 39.098 > 22 23 K 0.17119416908060 0.50288551504587 0.03564088113978 39.098 > 23 24 K 0.82880583091940 0.00288551504587 0.96435911886022 39.098 > 24 25 K 0.67119416908060 0.99711448495413 0.46435911886022 39.098 > 25 26 K 0.32880583091940 0.49711448495413 0.53564088113978 39.098 > 26 27 K 0.17119416908060 0.99711448495413 0.03564088113978 39.098 > 27 28 K 0.82880583091940 0.49711448495413 0.96435911886022 39.098 > 28 *29 Y 0.99733969025910 0.25000000000000 0.43614800308934 88.906 > 29 30 Y 0.00266030974090 0.75000000000000 0.56385199691066 88.906 > 30 31 Y 0.49733969025910 0.25000000000000 0.06385199691066 88.906 > 31 32 Y 0.50266030974090 0.75000000000000 0.93614800308934 88.906 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.465627380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.216569880000000Atomic positions (fractional): *1 F 0.92483654982995 0.26740268088870 0.17645874849829 18.998 > 1 2 F 0.92483654982995 0.76740268088870 0.17645874849829 18.998 > 1 3 F 0.92483654982995 0.26740268088870 0.67645874849829 18.998 > 1 4 F 0.92483654982995 0.76740268088870 0.67645874849829 18.998 > 1 5 F 0.07516345017005 0.01740268088870 0.32354125150171 18.998 > 2 6 F 0.07516345017005 0.51740268088870 0.32354125150171 18.998 > 2 7 F 0.07516345017005 0.01740268088870 0.82354125150171 18.998 > 2 8 F 0.07516345017005 0.51740268088870 0.82354125150171 18.998 > 2 9 F 0.42483654982995 0.26740268088870 0.07354125150171 18.998 > 3 10 F 0.42483654982995 0.76740268088870 0.07354125150171 18.998 > 3 11 F 0.42483654982995 0.26740268088870 0.57354125150171 18.998 > 3 12 F 0.42483654982995 0.76740268088870 0.57354125150171 18.998 > 3 13 F 0.57516345017005 0.01740268088870 0.42645874849829 18.998 > 4 14 F 0.57516345017005 0.51740268088870 0.42645874849829 18.998 > 4 15 F 0.57516345017005 0.01740268088870 0.92645874849829 18.998 > 4 16 F 0.57516345017005 0.51740268088870 0.92645874849829 18.998 > 4 17 F 0.92483654982995 0.48259731911130 0.17645874849829 18.998 > 5 18 F 0.92483654982995 0.98259731911130 0.17645874849829 18.998 > 5 19 F 0.92483654982995 0.48259731911130 0.67645874849829 18.998 > 5 20 F 0.92483654982995 0.98259731911130 0.67645874849829 18.998 > 5 21 F 0.07516345017005 0.23259731911130 0.32354125150171 18.998 > 6 22 F 0.07516345017005 0.73259731911130 0.32354125150171 18.998 > 6 23 F 0.07516345017005 0.23259731911130 0.82354125150171 18.998 > 6 24 F 0.07516345017005 0.73259731911130 0.82354125150171 18.998 > 6 25 F 0.42483654982995 0.48259731911130 0.07354125150171 18.998 > 7 26 F 0.42483654982995 0.98259731911130 0.07354125150171 18.998 > 7 27 F 0.42483654982995 0.48259731911130 0.57354125150171 18.998 > 7 28 F 0.42483654982995 0.98259731911130 0.57354125150171 18.998 > 7 29 F 0.57516345017005 0.23259731911130 0.42645874849829 18.998 > 8 30 F 0.57516345017005 0.73259731911130 0.42645874849829 18.998 > 8 31 F 0.57516345017005 0.23259731911130 0.92645874849829 18.998 > 8 32 F 0.57516345017005 0.73259731911130 0.92645874849829 18.998 > 8 *33 F 0.66635206945972 0.37500000000000 0.06389870992134 18.998 > 9 34 F 0.66635206945972 0.87500000000000 0.06389870992134 18.998 > 9 35 F 0.66635206945972 0.37500000000000 0.56389870992134 18.998 > 9 36 F 0.66635206945972 0.87500000000000 0.56389870992134 18.998 > 9 37 F 0.33364793054028 0.12500000000000 0.43610129007866 18.998 > 10 38 F 0.33364793054028 0.62500000000000 0.43610129007866 18.998 > 10 39 F 0.33364793054028 0.12500000000000 0.93610129007866 18.998 > 10 40 F 0.33364793054028 0.62500000000000 0.93610129007866 18.998 > 10 41 F 0.16635206945972 0.37500000000000 0.18610129007866 18.998 > 11 42 F 0.16635206945972 0.87500000000000 0.18610129007866 18.998 > 11 43 F 0.16635206945972 0.37500000000000 0.68610129007866 18.998 > 11 44 F 0.16635206945972 0.87500000000000 0.68610129007866 18.998 > 11 45 F 0.83364793054028 0.12500000000000 0.31389870992134 18.998 > 12 46 F 0.83364793054028 0.62500000000000 0.31389870992134 18.998 > 12 47 F 0.83364793054028 0.12500000000000 0.81389870992134 18.998 > 12 48 F 0.83364793054028 0.62500000000000 0.81389870992134 18.998 > 12 *49 F 0.51278395585928 0.37500000000000 0.30361294822504 18.998 > 13 50 F 0.51278395585928 0.87500000000000 0.30361294822504 18.998 > 13 51 F 0.51278395585928 0.37500000000000 0.80361294822504 18.998 > 13 52 F 0.51278395585928 0.87500000000000 0.80361294822504 18.998 > 13 53 F 0.48721604414073 0.12500000000000 0.19638705177496 18.998 > 14 54 F 0.48721604414073 0.62500000000000 0.19638705177496 18.998 > 14 55 F 0.48721604414073 0.12500000000000 0.69638705177496 18.998 > 14 56 F 0.48721604414073 0.62500000000000 0.69638705177496 18.998 > 14 57 F 0.01278395585927 0.37500000000000 0.44638705177496 18.998 > 15 58 F 0.01278395585927 0.87500000000000 0.44638705177496 18.998 > 15 59 F 0.01278395585927 0.37500000000000 0.94638705177496 18.998 > 15 60 F 0.01278395585927 0.87500000000000 0.94638705177496 18.998 > 15 61 F 0.98721604414072 0.12500000000000 0.05361294822504 18.998 > 16 62 F 0.98721604414072 0.62500000000000 0.05361294822504 18.998 > 16 63 F 0.98721604414072 0.12500000000000 0.55361294822504 18.998 > 16 64 F 0.98721604414072 0.62500000000000 0.55361294822504 18.998 > 16 *65 F 0.80892052110633 0.37500000000000 0.32962678650289 18.998 > 17 66 F 0.80892052110633 0.87500000000000 0.32962678650289 18.998 > 17 67 F 0.80892052110633 0.37500000000000 0.82962678650289 18.998 > 17 68 F 0.80892052110633 0.87500000000000 0.82962678650289 18.998 > 17 69 F 0.19107947889367 0.12500000000000 0.17037321349711 18.998 > 18 70 F 0.19107947889367 0.62500000000000 0.17037321349711 18.998 > 18 71 F 0.19107947889367 0.12500000000000 0.67037321349711 18.998 > 18 72 F 0.19107947889367 0.62500000000000 0.67037321349711 18.998 > 18 73 F 0.30892052110633 0.37500000000000 0.42037321349711 18.998 > 19 74 F 0.30892052110633 0.87500000000000 0.42037321349711 18.998 > 19 75 F 0.30892052110633 0.37500000000000 0.92037321349711 18.998 > 19 76 F 0.30892052110633 0.87500000000000 0.92037321349711 18.998 > 19 77 F 0.69107947889367 0.12500000000000 0.07962678650289 18.998 > 20 78 F 0.69107947889367 0.62500000000000 0.07962678650289 18.998 > 20 79 F 0.69107947889367 0.12500000000000 0.57962678650289 18.998 > 20 80 F 0.69107947889367 0.62500000000000 0.57962678650289 18.998 > 20 *81 K 0.67119416908060 0.25144275752293 0.23217955943011 39.098 > 21 82 K 0.67119416908060 0.75144275752293 0.23217955943011 39.098 > 21 83 K 0.67119416908060 0.25144275752293 0.73217955943011 39.098 > 21 84 K 0.67119416908060 0.75144275752293 0.73217955943011 39.098 > 21 85 K 0.32880583091940 0.00144275752293 0.26782044056989 39.098 > 22 86 K 0.32880583091940 0.50144275752293 0.26782044056989 39.098 > 22 87 K 0.32880583091940 0.00144275752293 0.76782044056989 39.098 > 22 88 K 0.32880583091940 0.50144275752293 0.76782044056989 39.098 > 22 89 K 0.17119416908060 0.25144275752293 0.01782044056989 39.098 > 23 90 K 0.17119416908060 0.75144275752293 0.01782044056989 39.098 > 23 91 K 0.17119416908060 0.25144275752293 0.51782044056989 39.098 > 23 92 K 0.17119416908060 0.75144275752293 0.51782044056989 39.098 > 23 93 K 0.82880583091940 0.00144275752293 0.48217955943011 39.098 > 24 94 K 0.82880583091940 0.50144275752293 0.48217955943011 39.098 > 24 95 K 0.82880583091940 0.00144275752293 0.98217955943011 39.098 > 24 96 K 0.82880583091940 0.50144275752293 0.98217955943011 39.098 > 24 97 K 0.67119416908060 0.49855724247707 0.23217955943011 39.098 > 25 98 K 0.67119416908060 0.99855724247707 0.23217955943011 39.098 > 25 99 K 0.67119416908060 0.49855724247707 0.73217955943011 39.098 > 25 100 K 0.67119416908060 0.99855724247707 0.73217955943011 39.098 > 25 101 K 0.32880583091940 0.24855724247707 0.26782044056989 39.098 > 26 102 K 0.32880583091940 0.74855724247707 0.26782044056989 39.098 > 26 103 K 0.32880583091940 0.24855724247707 0.76782044056989 39.098 > 26 104 K 0.32880583091940 0.74855724247707 0.76782044056989 39.098 > 26 105 K 0.17119416908060 0.49855724247707 0.01782044056989 39.098 > 27 106 K 0.17119416908060 0.99855724247707 0.01782044056989 39.098 > 27 107 K 0.17119416908060 0.49855724247707 0.51782044056989 39.098 > 27 108 K 0.17119416908060 0.99855724247707 0.51782044056989 39.098 > 27 109 K 0.82880583091940 0.24855724247707 0.48217955943011 39.098 > 28 110 K 0.82880583091940 0.74855724247707 0.48217955943011 39.098 > 28 111 K 0.82880583091940 0.24855724247707 0.98217955943011 39.098 > 28 112 K 0.82880583091940 0.74855724247707 0.98217955943011 39.098 > 28 *113 Y 0.99733969025910 0.12500000000000 0.21807400154467 88.906 > 29 114 Y 0.99733969025910 0.62500000000000 0.21807400154467 88.906 > 29 115 Y 0.99733969025910 0.12500000000000 0.71807400154467 88.906 > 29 116 Y 0.99733969025910 0.62500000000000 0.71807400154467 88.906 > 29 117 Y 0.00266030974090 0.37500000000000 0.28192599845533 88.906 > 30 118 Y 0.00266030974090 0.87500000000000 0.28192599845533 88.906 > 30 119 Y 0.00266030974090 0.37500000000000 0.78192599845533 88.906 > 30 120 Y 0.00266030974090 0.87500000000000 0.78192599845533 88.906 > 30 121 Y 0.49733969025910 0.12500000000000 0.03192599845533 88.906 > 31 122 Y 0.49733969025910 0.62500000000000 0.03192599845533 88.906 > 31 123 Y 0.49733969025910 0.12500000000000 0.53192599845533 88.906 > 31 124 Y 0.49733969025910 0.62500000000000 0.53192599845533 88.906 > 31 125 Y 0.50266030974090 0.37500000000000 0.46807400154467 88.906 > 32 126 Y 0.50266030974090 0.87500000000000 0.46807400154467 88.906 > 32 127 Y 0.50266030974090 0.37500000000000 0.96807400154467 88.906 > 32 128 Y 0.50266030974090 0.87500000000000 0.96807400154467 88.906 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.1742991 0.0000000 0.0000000 0.0000000 2.2133806 0.0000000 0.0000000 0.0000000 2.1660593-------------------------- Born effective charges -------------------------- 1 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 2 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 3 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 4 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 5 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 6 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 7 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 8 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 9 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 10 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 11 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 12 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 13 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 14 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 15 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 16 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 17 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 18 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 19 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 20 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 21 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 22 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 23 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 24 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 25 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 26 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 27 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 28 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 29 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 30 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 31 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045 32 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2456Number of blocks in projector: 2456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2456, 2418), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 0.820Solver_block: 200 / 480 - Time: 0.755Solver_block: 300 / 480 - Time: 0.757Solver_block: 400 / 480 - Time: 0.759Solver_block: 480 / 480 - Time: 0.625Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.811--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2456Number of blocks in projector: 2456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2456, 2418), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 02:55:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:55:17]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.232813690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.608284940000000Atomic positions (fractional): 1 F 0.92483654982995 0.53480536177740 0.35291749699657 18.998 2 F 0.07516345017005 0.03480536177740 0.64708250300343 18.998 3 F 0.42483654982995 0.53480536177740 0.14708250300343 18.998 4 F 0.57516345017005 0.03480536177740 0.85291749699657 18.998 5 F 0.92483654982995 0.96519463822260 0.35291749699657 18.998 6 F 0.07516345017005 0.46519463822260 0.64708250300343 18.998 7 F 0.42483654982995 0.96519463822260 0.14708250300343 18.998 8 F 0.57516345017005 0.46519463822260 0.85291749699657 18.998 9 F 0.66635206945972 0.75000000000000 0.12779741984268 18.998 10 F 0.33364793054028 0.25000000000000 0.87220258015732 18.998 11 F 0.16635206945972 0.75000000000000 0.37220258015732 18.998 12 F 0.83364793054028 0.25000000000000 0.62779741984268 18.998 13 F 0.51278395585928 0.75000000000000 0.60722589645007 18.998 14 F 0.48721604414073 0.25000000000000 0.39277410354993 18.998 15 F 0.01278395585927 0.75000000000000 0.89277410354993 18.998 16 F 0.98721604414072 0.25000000000000 0.10722589645007 18.998 17 F 0.80892052110633 0.75000000000000 0.65925357300577 18.998 18 F 0.19107947889367 0.25000000000000 0.34074642699423 18.998 19 F 0.30892052110633 0.75000000000000 0.84074642699423 18.998 20 F 0.69107947889367 0.25000000000000 0.15925357300577 18.998 21 K 0.67119416908060 0.50288551504587 0.46435911886022 39.098 22 K 0.32880583091940 0.00288551504587 0.53564088113978 39.098 23 K 0.17119416908060 0.50288551504587 0.03564088113978 39.098 24 K 0.82880583091940 0.00288551504587 0.96435911886022 39.098 25 K 0.67119416908060 0.99711448495413 0.46435911886022 39.098 26 K 0.32880583091940 0.49711448495413 0.53564088113978 39.098 27 K 0.17119416908060 0.99711448495413 0.03564088113978 39.098 28 K 0.82880583091940 0.49711448495413 0.96435911886022 39.098 29 Y 0.99733969025910 0.25000000000000 0.43614800308934 88.906 30 Y 0.00266030974090 0.75000000000000 0.56385199691066 88.906 31 Y 0.49733969025910 0.25000000000000 0.06385199691066 88.906 32 Y 0.50266030974090 0.75000000000000 0.93614800308934 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.465627380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.216569880000000Atomic positions (fractional): 1 F 0.92483654982995 0.26740268088870 0.17645874849829 18.998 > 1 2 F 0.92483654982995 0.76740268088870 0.17645874849829 18.998 > 1 3 F 0.92483654982995 0.26740268088870 0.67645874849829 18.998 > 1 4 F 0.92483654982995 0.76740268088870 0.67645874849829 18.998 > 1 5 F 0.07516345017005 0.01740268088870 0.32354125150171 18.998 > 5 6 F 0.07516345017005 0.51740268088870 0.32354125150171 18.998 > 5 7 F 0.07516345017005 0.01740268088870 0.82354125150171 18.998 > 5 8 F 0.07516345017005 0.51740268088870 0.82354125150171 18.998 > 5 9 F 0.42483654982995 0.26740268088870 0.07354125150171 18.998 > 9 10 F 0.42483654982995 0.76740268088870 0.07354125150171 18.998 > 9 11 F 0.42483654982995 0.26740268088870 0.57354125150171 18.998 > 9 12 F 0.42483654982995 0.76740268088870 0.57354125150171 18.998 > 9 13 F 0.57516345017005 0.01740268088870 0.42645874849829 18.998 > 13 14 F 0.57516345017005 0.51740268088870 0.42645874849829 18.998 > 13 15 F 0.57516345017005 0.01740268088870 0.92645874849829 18.998 > 13 16 F 0.57516345017005 0.51740268088870 0.92645874849829 18.998 > 13 17 F 0.92483654982995 0.48259731911130 0.17645874849829 18.998 > 17 18 F 0.92483654982995 0.98259731911130 0.17645874849829 18.998 > 17 19 F 0.92483654982995 0.48259731911130 0.67645874849829 18.998 > 17 20 F 0.92483654982995 0.98259731911130 0.67645874849829 18.998 > 17 21 F 0.07516345017005 0.23259731911130 0.32354125150171 18.998 > 21 22 F 0.07516345017005 0.73259731911130 0.32354125150171 18.998 > 21 23 F 0.07516345017005 0.23259731911130 0.82354125150171 18.998 > 21 24 F 0.07516345017005 0.73259731911130 0.82354125150171 18.998 > 21 25 F 0.42483654982995 0.48259731911130 0.07354125150171 18.998 > 25 26 F 0.42483654982995 0.98259731911130 0.07354125150171 18.998 > 25 27 F 0.42483654982995 0.48259731911130 0.57354125150171 18.998 > 25 28 F 0.42483654982995 0.98259731911130 0.57354125150171 18.998 > 25 29 F 0.57516345017005 0.23259731911130 0.42645874849829 18.998 > 29 30 F 0.57516345017005 0.73259731911130 0.42645874849829 18.998 > 29 31 F 0.57516345017005 0.23259731911130 0.92645874849829 18.998 > 29 32 F 0.57516345017005 0.73259731911130 0.92645874849829 18.998 > 29 33 F 0.66635206945972 0.37500000000000 0.06389870992134 18.998 > 33 34 F 0.66635206945972 0.87500000000000 0.06389870992134 18.998 > 33 35 F 0.66635206945972 0.37500000000000 0.56389870992134 18.998 > 33 36 F 0.66635206945972 0.87500000000000 0.56389870992134 18.998 > 33 37 F 0.33364793054028 0.12500000000000 0.43610129007866 18.998 > 37 38 F 0.33364793054028 0.62500000000000 0.43610129007866 18.998 > 37 39 F 0.33364793054028 0.12500000000000 0.93610129007866 18.998 > 37 40 F 0.33364793054028 0.62500000000000 0.93610129007866 18.998 > 37 41 F 0.16635206945972 0.37500000000000 0.18610129007866 18.998 > 41 42 F 0.16635206945972 0.87500000000000 0.18610129007866 18.998 > 41 43 F 0.16635206945972 0.37500000000000 0.68610129007866 18.998 > 41 44 F 0.16635206945972 0.87500000000000 0.68610129007866 18.998 > 41 45 F 0.83364793054028 0.12500000000000 0.31389870992134 18.998 > 45 46 F 0.83364793054028 0.62500000000000 0.31389870992134 18.998 > 45 47 F 0.83364793054028 0.12500000000000 0.81389870992134 18.998 > 45 48 F 0.83364793054028 0.62500000000000 0.81389870992134 18.998 > 45 49 F 0.51278395585928 0.37500000000000 0.30361294822504 18.998 > 49 50 F 0.51278395585928 0.87500000000000 0.30361294822504 18.998 > 49 51 F 0.51278395585928 0.37500000000000 0.80361294822504 18.998 > 49 52 F 0.51278395585928 0.87500000000000 0.80361294822504 18.998 > 49 53 F 0.48721604414073 0.12500000000000 0.19638705177496 18.998 > 53 54 F 0.48721604414073 0.62500000000000 0.19638705177496 18.998 > 53 55 F 0.48721604414073 0.12500000000000 0.69638705177496 18.998 > 53 56 F 0.48721604414073 0.62500000000000 0.69638705177496 18.998 > 53 57 F 0.01278395585927 0.37500000000000 0.44638705177496 18.998 > 57 58 F 0.01278395585927 0.87500000000000 0.44638705177496 18.998 > 57 59 F 0.01278395585927 0.37500000000000 0.94638705177496 18.998 > 57 60 F 0.01278395585927 0.87500000000000 0.94638705177496 18.998 > 57 61 F 0.98721604414072 0.12500000000000 0.05361294822504 18.998 > 61 62 F 0.98721604414072 0.62500000000000 0.05361294822504 18.998 > 61 63 F 0.98721604414072 0.12500000000000 0.55361294822504 18.998 > 61 64 F 0.98721604414072 0.62500000000000 0.55361294822504 18.998 > 61 65 F 0.80892052110633 0.37500000000000 0.32962678650289 18.998 > 65 66 F 0.80892052110633 0.87500000000000 0.32962678650289 18.998 > 65 67 F 0.80892052110633 0.37500000000000 0.82962678650289 18.998 > 65 68 F 0.80892052110633 0.87500000000000 0.82962678650289 18.998 > 65 69 F 0.19107947889367 0.12500000000000 0.17037321349711 18.998 > 69 70 F 0.19107947889367 0.62500000000000 0.17037321349711 18.998 > 69 71 F 0.19107947889367 0.12500000000000 0.67037321349711 18.998 > 69 72 F 0.19107947889367 0.62500000000000 0.67037321349711 18.998 > 69 73 F 0.30892052110633 0.37500000000000 0.42037321349711 18.998 > 73 74 F 0.30892052110633 0.87500000000000 0.42037321349711 18.998 > 73 75 F 0.30892052110633 0.37500000000000 0.92037321349711 18.998 > 73 76 F 0.30892052110633 0.87500000000000 0.92037321349711 18.998 > 73 77 F 0.69107947889367 0.12500000000000 0.07962678650289 18.998 > 77 78 F 0.69107947889367 0.62500000000000 0.07962678650289 18.998 > 77 79 F 0.69107947889367 0.12500000000000 0.57962678650289 18.998 > 77 80 F 0.69107947889367 0.62500000000000 0.57962678650289 18.998 > 77 81 K 0.67119416908060 0.25144275752293 0.23217955943011 39.098 > 81 82 K 0.67119416908060 0.75144275752293 0.23217955943011 39.098 > 81 83 K 0.67119416908060 0.25144275752293 0.73217955943011 39.098 > 81 84 K 0.67119416908060 0.75144275752293 0.73217955943011 39.098 > 81 85 K 0.32880583091940 0.00144275752293 0.26782044056989 39.098 > 85 86 K 0.32880583091940 0.50144275752293 0.26782044056989 39.098 > 85 87 K 0.32880583091940 0.00144275752293 0.76782044056989 39.098 > 85 88 K 0.32880583091940 0.50144275752293 0.76782044056989 39.098 > 85 89 K 0.17119416908060 0.25144275752293 0.01782044056989 39.098 > 89 90 K 0.17119416908060 0.75144275752293 0.01782044056989 39.098 > 89 91 K 0.17119416908060 0.25144275752293 0.51782044056989 39.098 > 89 92 K 0.17119416908060 0.75144275752293 0.51782044056989 39.098 > 89 93 K 0.82880583091940 0.00144275752293 0.48217955943011 39.098 > 93 94 K 0.82880583091940 0.50144275752293 0.48217955943011 39.098 > 93 95 K 0.82880583091940 0.00144275752293 0.98217955943011 39.098 > 93 96 K 0.82880583091940 0.50144275752293 0.98217955943011 39.098 > 93 97 K 0.67119416908060 0.49855724247707 0.23217955943011 39.098 > 97 98 K 0.67119416908060 0.99855724247707 0.23217955943011 39.098 > 97 99 K 0.67119416908060 0.49855724247707 0.73217955943011 39.098 > 97 100 K 0.67119416908060 0.99855724247707 0.73217955943011 39.098 > 97 101 K 0.32880583091940 0.24855724247707 0.26782044056989 39.098 > 101 102 K 0.32880583091940 0.74855724247707 0.26782044056989 39.098 > 101 103 K 0.32880583091940 0.24855724247707 0.76782044056989 39.098 > 101 104 K 0.32880583091940 0.74855724247707 0.76782044056989 39.098 > 101 105 K 0.17119416908060 0.49855724247707 0.01782044056989 39.098 > 105 106 K 0.17119416908060 0.99855724247707 0.01782044056989 39.098 > 105 107 K 0.17119416908060 0.49855724247707 0.51782044056989 39.098 > 105 108 K 0.17119416908060 0.99855724247707 0.51782044056989 39.098 > 105 109 K 0.82880583091940 0.24855724247707 0.48217955943011 39.098 > 109 110 K 0.82880583091940 0.74855724247707 0.48217955943011 39.098 > 109 111 K 0.82880583091940 0.24855724247707 0.98217955943011 39.098 > 109 112 K 0.82880583091940 0.74855724247707 0.98217955943011 39.098 > 109 113 Y 0.99733969025910 0.12500000000000 0.21807400154467 88.906 > 113 114 Y 0.99733969025910 0.62500000000000 0.21807400154467 88.906 > 113 115 Y 0.99733969025910 0.12500000000000 0.71807400154467 88.906 > 113 116 Y 0.99733969025910 0.62500000000000 0.71807400154467 88.906 > 113 117 Y 0.00266030974090 0.37500000000000 0.28192599845533 88.906 > 117 118 Y 0.00266030974090 0.87500000000000 0.28192599845533 88.906 > 117 119 Y 0.00266030974090 0.37500000000000 0.78192599845533 88.906 > 117 120 Y 0.00266030974090 0.87500000000000 0.78192599845533 88.906 > 117 121 Y 0.49733969025910 0.12500000000000 0.03192599845533 88.906 > 121 122 Y 0.49733969025910 0.62500000000000 0.03192599845533 88.906 > 121 123 Y 0.49733969025910 0.12500000000000 0.53192599845533 88.906 > 121 124 Y 0.49733969025910 0.62500000000000 0.53192599845533 88.906 > 121 125 Y 0.50266030974090 0.37500000000000 0.46807400154467 88.906 > 125 126 Y 0.50266030974090 0.87500000000000 0.46807400154467 88.906 > 125 127 Y 0.50266030974090 0.37500000000000 0.96807400154467 88.906 > 125 128 Y 0.50266030974090 0.87500000000000 0.96807400154467 88.906 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.1742991 0.0000000 0.0000000 0.0000000 2.2133806 0.0000000 0.0000000 0.0000000 2.1660593-------------------------- Born effective charges -------------------------- 1 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 2 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 3 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 4 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 5 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 6 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 7 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 8 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 9 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 10 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 11 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 12 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 13 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 14 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 15 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 16 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 17 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 18 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 19 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 20 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 21 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 22 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 23 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 24 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 25 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 26 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 27 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 28 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 29 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 30 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 31 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045 32 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 02:55:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:55:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.232813690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.608284940000000Atomic positions (fractional): 1 F 0.92483654982995 0.53480536177740 0.35291749699657 18.998 2 F 0.07516345017005 0.03480536177740 0.64708250300343 18.998 3 F 0.42483654982995 0.53480536177740 0.14708250300343 18.998 4 F 0.57516345017005 0.03480536177740 0.85291749699657 18.998 5 F 0.92483654982995 0.96519463822260 0.35291749699657 18.998 6 F 0.07516345017005 0.46519463822260 0.64708250300343 18.998 7 F 0.42483654982995 0.96519463822260 0.14708250300343 18.998 8 F 0.57516345017005 0.46519463822260 0.85291749699657 18.998 9 F 0.66635206945972 0.75000000000000 0.12779741984268 18.998 10 F 0.33364793054028 0.25000000000000 0.87220258015732 18.998 11 F 0.16635206945972 0.75000000000000 0.37220258015732 18.998 12 F 0.83364793054028 0.25000000000000 0.62779741984268 18.998 13 F 0.51278395585928 0.75000000000000 0.60722589645007 18.998 14 F 0.48721604414073 0.25000000000000 0.39277410354993 18.998 15 F 0.01278395585927 0.75000000000000 0.89277410354993 18.998 16 F 0.98721604414072 0.25000000000000 0.10722589645007 18.998 17 F 0.80892052110633 0.75000000000000 0.65925357300577 18.998 18 F 0.19107947889367 0.25000000000000 0.34074642699423 18.998 19 F 0.30892052110633 0.75000000000000 0.84074642699423 18.998 20 F 0.69107947889367 0.25000000000000 0.15925357300577 18.998 21 K 0.67119416908060 0.50288551504587 0.46435911886022 39.098 22 K 0.32880583091940 0.00288551504587 0.53564088113978 39.098 23 K 0.17119416908060 0.50288551504587 0.03564088113978 39.098 24 K 0.82880583091940 0.00288551504587 0.96435911886022 39.098 25 K 0.67119416908060 0.99711448495413 0.46435911886022 39.098 26 K 0.32880583091940 0.49711448495413 0.53564088113978 39.098 27 K 0.17119416908060 0.99711448495413 0.03564088113978 39.098 28 K 0.82880583091940 0.49711448495413 0.96435911886022 39.098 29 Y 0.99733969025910 0.25000000000000 0.43614800308934 88.906 30 Y 0.00266030974090 0.75000000000000 0.56385199691066 88.906 31 Y 0.49733969025910 0.25000000000000 0.06385199691066 88.906 32 Y 0.50266030974090 0.75000000000000 0.93614800308934 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 10.827733390000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.465627380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.216569880000000Atomic positions (fractional): 1 F 0.92483654982995 0.26740268088870 0.17645874849829 18.998 > 1 2 F 0.92483654982995 0.76740268088870 0.17645874849829 18.998 > 1 3 F 0.92483654982995 0.26740268088870 0.67645874849829 18.998 > 1 4 F 0.92483654982995 0.76740268088870 0.67645874849829 18.998 > 1 5 F 0.07516345017005 0.01740268088870 0.32354125150171 18.998 > 5 6 F 0.07516345017005 0.51740268088870 0.32354125150171 18.998 > 5 7 F 0.07516345017005 0.01740268088870 0.82354125150171 18.998 > 5 8 F 0.07516345017005 0.51740268088870 0.82354125150171 18.998 > 5 9 F 0.42483654982995 0.26740268088870 0.07354125150171 18.998 > 9 10 F 0.42483654982995 0.76740268088870 0.07354125150171 18.998 > 9 11 F 0.42483654982995 0.26740268088870 0.57354125150171 18.998 > 9 12 F 0.42483654982995 0.76740268088870 0.57354125150171 18.998 > 9 13 F 0.57516345017005 0.01740268088870 0.42645874849829 18.998 > 13 14 F 0.57516345017005 0.51740268088870 0.42645874849829 18.998 > 13 15 F 0.57516345017005 0.01740268088870 0.92645874849829 18.998 > 13 16 F 0.57516345017005 0.51740268088870 0.92645874849829 18.998 > 13 17 F 0.92483654982995 0.48259731911130 0.17645874849829 18.998 > 17 18 F 0.92483654982995 0.98259731911130 0.17645874849829 18.998 > 17 19 F 0.92483654982995 0.48259731911130 0.67645874849829 18.998 > 17 20 F 0.92483654982995 0.98259731911130 0.67645874849829 18.998 > 17 21 F 0.07516345017005 0.23259731911130 0.32354125150171 18.998 > 21 22 F 0.07516345017005 0.73259731911130 0.32354125150171 18.998 > 21 23 F 0.07516345017005 0.23259731911130 0.82354125150171 18.998 > 21 24 F 0.07516345017005 0.73259731911130 0.82354125150171 18.998 > 21 25 F 0.42483654982995 0.48259731911130 0.07354125150171 18.998 > 25 26 F 0.42483654982995 0.98259731911130 0.07354125150171 18.998 > 25 27 F 0.42483654982995 0.48259731911130 0.57354125150171 18.998 > 25 28 F 0.42483654982995 0.98259731911130 0.57354125150171 18.998 > 25 29 F 0.57516345017005 0.23259731911130 0.42645874849829 18.998 > 29 30 F 0.57516345017005 0.73259731911130 0.42645874849829 18.998 > 29 31 F 0.57516345017005 0.23259731911130 0.92645874849829 18.998 > 29 32 F 0.57516345017005 0.73259731911130 0.92645874849829 18.998 > 29 33 F 0.66635206945972 0.37500000000000 0.06389870992134 18.998 > 33 34 F 0.66635206945972 0.87500000000000 0.06389870992134 18.998 > 33 35 F 0.66635206945972 0.37500000000000 0.56389870992134 18.998 > 33 36 F 0.66635206945972 0.87500000000000 0.56389870992134 18.998 > 33 37 F 0.33364793054028 0.12500000000000 0.43610129007866 18.998 > 37 38 F 0.33364793054028 0.62500000000000 0.43610129007866 18.998 > 37 39 F 0.33364793054028 0.12500000000000 0.93610129007866 18.998 > 37 40 F 0.33364793054028 0.62500000000000 0.93610129007866 18.998 > 37 41 F 0.16635206945972 0.37500000000000 0.18610129007866 18.998 > 41 42 F 0.16635206945972 0.87500000000000 0.18610129007866 18.998 > 41 43 F 0.16635206945972 0.37500000000000 0.68610129007866 18.998 > 41 44 F 0.16635206945972 0.87500000000000 0.68610129007866 18.998 > 41 45 F 0.83364793054028 0.12500000000000 0.31389870992134 18.998 > 45 46 F 0.83364793054028 0.62500000000000 0.31389870992134 18.998 > 45 47 F 0.83364793054028 0.12500000000000 0.81389870992134 18.998 > 45 48 F 0.83364793054028 0.62500000000000 0.81389870992134 18.998 > 45 49 F 0.51278395585928 0.37500000000000 0.30361294822504 18.998 > 49 50 F 0.51278395585928 0.87500000000000 0.30361294822504 18.998 > 49 51 F 0.51278395585928 0.37500000000000 0.80361294822504 18.998 > 49 52 F 0.51278395585928 0.87500000000000 0.80361294822504 18.998 > 49 53 F 0.48721604414073 0.12500000000000 0.19638705177496 18.998 > 53 54 F 0.48721604414073 0.62500000000000 0.19638705177496 18.998 > 53 55 F 0.48721604414073 0.12500000000000 0.69638705177496 18.998 > 53 56 F 0.48721604414073 0.62500000000000 0.69638705177496 18.998 > 53 57 F 0.01278395585927 0.37500000000000 0.44638705177496 18.998 > 57 58 F 0.01278395585927 0.87500000000000 0.44638705177496 18.998 > 57 59 F 0.01278395585927 0.37500000000000 0.94638705177496 18.998 > 57 60 F 0.01278395585927 0.87500000000000 0.94638705177496 18.998 > 57 61 F 0.98721604414072 0.12500000000000 0.05361294822504 18.998 > 61 62 F 0.98721604414072 0.62500000000000 0.05361294822504 18.998 > 61 63 F 0.98721604414072 0.12500000000000 0.55361294822504 18.998 > 61 64 F 0.98721604414072 0.62500000000000 0.55361294822504 18.998 > 61 65 F 0.80892052110633 0.37500000000000 0.32962678650289 18.998 > 65 66 F 0.80892052110633 0.87500000000000 0.32962678650289 18.998 > 65 67 F 0.80892052110633 0.37500000000000 0.82962678650289 18.998 > 65 68 F 0.80892052110633 0.87500000000000 0.82962678650289 18.998 > 65 69 F 0.19107947889367 0.12500000000000 0.17037321349711 18.998 > 69 70 F 0.19107947889367 0.62500000000000 0.17037321349711 18.998 > 69 71 F 0.19107947889367 0.12500000000000 0.67037321349711 18.998 > 69 72 F 0.19107947889367 0.62500000000000 0.67037321349711 18.998 > 69 73 F 0.30892052110633 0.37500000000000 0.42037321349711 18.998 > 73 74 F 0.30892052110633 0.87500000000000 0.42037321349711 18.998 > 73 75 F 0.30892052110633 0.37500000000000 0.92037321349711 18.998 > 73 76 F 0.30892052110633 0.87500000000000 0.92037321349711 18.998 > 73 77 F 0.69107947889367 0.12500000000000 0.07962678650289 18.998 > 77 78 F 0.69107947889367 0.62500000000000 0.07962678650289 18.998 > 77 79 F 0.69107947889367 0.12500000000000 0.57962678650289 18.998 > 77 80 F 0.69107947889367 0.62500000000000 0.57962678650289 18.998 > 77 81 K 0.67119416908060 0.25144275752293 0.23217955943011 39.098 > 81 82 K 0.67119416908060 0.75144275752293 0.23217955943011 39.098 > 81 83 K 0.67119416908060 0.25144275752293 0.73217955943011 39.098 > 81 84 K 0.67119416908060 0.75144275752293 0.73217955943011 39.098 > 81 85 K 0.32880583091940 0.00144275752293 0.26782044056989 39.098 > 85 86 K 0.32880583091940 0.50144275752293 0.26782044056989 39.098 > 85 87 K 0.32880583091940 0.00144275752293 0.76782044056989 39.098 > 85 88 K 0.32880583091940 0.50144275752293 0.76782044056989 39.098 > 85 89 K 0.17119416908060 0.25144275752293 0.01782044056989 39.098 > 89 90 K 0.17119416908060 0.75144275752293 0.01782044056989 39.098 > 89 91 K 0.17119416908060 0.25144275752293 0.51782044056989 39.098 > 89 92 K 0.17119416908060 0.75144275752293 0.51782044056989 39.098 > 89 93 K 0.82880583091940 0.00144275752293 0.48217955943011 39.098 > 93 94 K 0.82880583091940 0.50144275752293 0.48217955943011 39.098 > 93 95 K 0.82880583091940 0.00144275752293 0.98217955943011 39.098 > 93 96 K 0.82880583091940 0.50144275752293 0.98217955943011 39.098 > 93 97 K 0.67119416908060 0.49855724247707 0.23217955943011 39.098 > 97 98 K 0.67119416908060 0.99855724247707 0.23217955943011 39.098 > 97 99 K 0.67119416908060 0.49855724247707 0.73217955943011 39.098 > 97 100 K 0.67119416908060 0.99855724247707 0.73217955943011 39.098 > 97 101 K 0.32880583091940 0.24855724247707 0.26782044056989 39.098 > 101 102 K 0.32880583091940 0.74855724247707 0.26782044056989 39.098 > 101 103 K 0.32880583091940 0.24855724247707 0.76782044056989 39.098 > 101 104 K 0.32880583091940 0.74855724247707 0.76782044056989 39.098 > 101 105 K 0.17119416908060 0.49855724247707 0.01782044056989 39.098 > 105 106 K 0.17119416908060 0.99855724247707 0.01782044056989 39.098 > 105 107 K 0.17119416908060 0.49855724247707 0.51782044056989 39.098 > 105 108 K 0.17119416908060 0.99855724247707 0.51782044056989 39.098 > 105 109 K 0.82880583091940 0.24855724247707 0.48217955943011 39.098 > 109 110 K 0.82880583091940 0.74855724247707 0.48217955943011 39.098 > 109 111 K 0.82880583091940 0.24855724247707 0.98217955943011 39.098 > 109 112 K 0.82880583091940 0.74855724247707 0.98217955943011 39.098 > 109 113 Y 0.99733969025910 0.12500000000000 0.21807400154467 88.906 > 113 114 Y 0.99733969025910 0.62500000000000 0.21807400154467 88.906 > 113 115 Y 0.99733969025910 0.12500000000000 0.71807400154467 88.906 > 113 116 Y 0.99733969025910 0.62500000000000 0.71807400154467 88.906 > 113 117 Y 0.00266030974090 0.37500000000000 0.28192599845533 88.906 > 117 118 Y 0.00266030974090 0.87500000000000 0.28192599845533 88.906 > 117 119 Y 0.00266030974090 0.37500000000000 0.78192599845533 88.906 > 117 120 Y 0.00266030974090 0.87500000000000 0.78192599845533 88.906 > 117 121 Y 0.49733969025910 0.12500000000000 0.03192599845533 88.906 > 121 122 Y 0.49733969025910 0.62500000000000 0.03192599845533 88.906 > 121 123 Y 0.49733969025910 0.12500000000000 0.53192599845533 88.906 > 121 124 Y 0.49733969025910 0.62500000000000 0.53192599845533 88.906 > 121 125 Y 0.50266030974090 0.37500000000000 0.46807400154467 88.906 > 125 126 Y 0.50266030974090 0.87500000000000 0.46807400154467 88.906 > 125 127 Y 0.50266030974090 0.37500000000000 0.96807400154467 88.906 > 125 128 Y 0.50266030974090 0.87500000000000 0.96807400154467 88.906 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.1742991 0.0000000 0.0000000 0.0000000 2.2133806 0.0000000 0.0000000 0.0000000 2.1660593-------------------------- Born effective charges -------------------------- 1 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 2 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 3 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 4 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 5 F -0.9294821 -0.0182128 -0.1669656 -0.0097199 -1.5697313 0.1965781 -0.1788975 0.1794523 -1.0076991 6 F -0.9294821 0.0182128 -0.1669656 0.0097199 -1.5697313 -0.1965781 -0.1788975 -0.1794523 -1.0076991 7 F -0.9294821 -0.0182128 0.1669656 -0.0097199 -1.5697313 -0.1965781 0.1788975 -0.1794523 -1.0076991 8 F -0.9294821 0.0182128 0.1669656 0.0097199 -1.5697313 0.1965781 0.1788975 0.1794523 -1.0076991 9 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 10 F -1.3486641 0.0000000 -0.3372189 0.0000000 -0.9822506 0.0000000 -0.3166605 0.0000000 -1.1267797 11 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 12 F -1.3486641 0.0000000 0.3372189 0.0000000 -0.9822506 0.0000000 0.3166605 0.0000000 -1.1267797 13 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 14 F -0.9574616 0.0000000 0.0856379 0.0000000 -0.9580984 0.0000000 0.0777757 0.0000000 -1.5234246 15 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 16 F -0.9574616 0.0000000 -0.0856379 0.0000000 -0.9580984 0.0000000 -0.0777757 0.0000000 -1.5234246 17 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 18 F -1.5441328 0.0000000 0.1561871 0.0000000 -0.9818157 0.0000000 0.1815120 0.0000000 -0.9790046 19 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 20 F -1.5441328 0.0000000 -0.1561871 0.0000000 -0.9818157 0.0000000 -0.1815120 0.0000000 -0.9790046 21 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 22 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 23 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 24 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 25 K 1.2232175 -0.0089856 0.0378732 0.0025563 1.1700724 -0.0660823 -0.0013473 -0.1010232 1.1922013 26 K 1.2232175 0.0089856 0.0378732 -0.0025563 1.1700724 0.0660823 -0.0013473 0.1010232 1.1922013 27 K 1.2232175 -0.0089856 -0.0378732 0.0025563 1.1700724 0.0660823 0.0013473 0.1010232 1.1922013 28 K 1.2232175 0.0089856 -0.0378732 -0.0025563 1.1700724 -0.0660823 0.0013473 -0.1010232 1.1922013 29 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 30 Y 3.2627879 0.0000000 -0.2080874 0.0000000 3.7214826 0.0000000 -0.2078235 0.0000000 3.2602045 31 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045 32 Y 3.2627879 0.0000000 0.2080874 0.0000000 3.7214826 0.0000000 0.2078235 0.0000000 3.2602045----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx)Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 7 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 303, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/60) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.136 ( 0.000 0.000 0.000) 0.000 13.284 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.401 ( 21.789 0.000 0.000) 21.789 0.468 ( 25.168 0.000 0.000) 25.168 0.763 ( 39.939 0.000 0.000) 39.939 1.613 ( -20.032 0.000 0.000) 20.032 1.734 ( -17.744 0.000 0.000) 17.744 1.967 ( 1.098 0.000 0.000) 1.098 2.039 ( -1.394 0.000 0.000) 1.394 2.197 ( -3.643 0.000 0.000) 3.643 2.309 ( 15.519 0.000 0.000) 15.519 2.476 ( 11.428 0.000 0.000) 11.428 2.607 ( 3.220 0.000 0.000) 3.220 2.876 ( -3.593 0.000 0.000) 3.593 2.994 ( 3.129 0.000 0.000) 3.129 3.115 ( 1.466 0.000 0.000) 1.466 3.119 ( -1.588 0.000 0.000) 1.588 3.273 ( 1.724 0.000 0.000) 1.724 3.305 ( -2.517 0.000 0.000) 2.517 3.317 ( -2.902 0.000 0.000) 2.902 3.457 ( -4.296 0.000 0.000) 4.296 3.496 ( -8.723 0.000 0.000) 8.723 3.563 ( -4.193 0.000 0.000) 4.193 3.621 ( -5.635 0.000 0.000) 5.635 3.643 ( -7.189 0.000 0.000) 7.189 3.818 ( -3.758 0.000 0.000) 3.758 3.890 ( 7.263 0.000 0.000) 7.263 3.922 ( 1.777 0.000 0.000) 1.777 3.978 ( 2.057 0.000 0.000) 2.057 4.025 ( -0.662 0.000 0.000) 0.662 4.032 ( 2.829 0.000 0.000) 2.829 4.097 ( 0.390 0.000 0.000) 0.390 4.211 ( -1.681 0.000 0.000) 1.681 4.252 ( 5.640 0.000 0.000) 5.640 4.360 ( -3.193 0.000 0.000) 3.193 4.448 ( -0.292 0.000 0.000) 0.292 4.724 ( 3.594 0.000 0.000) 3.594 4.741 ( 6.729 0.000 0.000) 6.729 4.861 ( 3.089 0.000 0.000) 3.089 4.922 ( 1.475 0.000 0.000) 1.475 4.979 ( 3.607 0.000 0.000) 3.607 5.008 ( -7.096 0.000 0.000) 7.096 5.076 ( -3.585 0.000 0.000) 3.585 5.232 ( -0.238 0.000 0.000) 0.238 5.250 ( 5.435 0.000 0.000) 5.435 5.319 ( 0.679 0.000 0.000) 0.679 5.499 ( -6.825 0.000 0.000) 6.825 5.638 ( -5.791 0.000 0.000) 5.791 5.703 ( 1.747 0.000 0.000) 1.747 5.798 ( -3.591 0.000 0.000) 3.591 5.909 ( -2.870 0.000 0.000) 2.870 5.938 ( 0.900 0.000 0.000) 0.900 5.940 ( -0.315 0.000 0.000) 0.315 6.075 ( -2.040 0.000 0.000) 2.040 6.226 ( 2.979 0.000 0.000) 2.979 6.304 ( 0.126 0.000 0.000) 0.126 6.411 ( 6.976 0.000 0.000) 6.976 6.469 ( 2.146 0.000 0.000) 2.146 6.581 ( -0.259 0.000 0.000) 0.259 6.643 ( -2.167 0.000 0.000) 2.167 7.042 ( 3.067 0.000 0.000) 3.067 7.069 ( 4.480 0.000 0.000) 4.480 7.249 ( -2.595 0.000 0.000) 2.595 7.580 ( -9.982 0.000 0.000) 9.982 7.701 ( 1.793 0.000 0.000) 1.793 7.756 ( -0.085 0.000 0.000) 0.085 7.773 ( -1.499 0.000 0.000) 1.499 7.799 ( -0.516 0.000 0.000) 0.516 8.007 ( 1.025 0.000 0.000) 1.025 8.056 ( 8.995 0.000 0.000) 8.995 8.179 ( -5.110 0.000 0.000) 5.110 8.335 ( -1.503 0.000 0.000) 1.503 8.706 ( 6.550 0.000 0.000) 6.550 8.824 ( 3.137 0.000 0.000) 3.137 9.105 ( -5.205 0.000 0.000) 5.205 9.159 ( -5.864 0.000 0.000) 5.864 9.390 ( 0.098 0.000 0.000) 0.098 9.401 ( -0.166 0.000 0.000) 0.166 9.666 ( 0.061 0.000 0.000) 0.061 9.668 ( 0.002 0.000 0.000) 0.002 9.928 ( 6.292 0.000 0.000) 6.292 10.169 ( 6.025 0.000 0.000) 6.025 10.359 ( -4.891 0.000 0.000) 4.891 10.598 ( -3.473 0.000 0.000) 3.473 10.606 ( 1.449 0.000 0.000) 1.449 10.732 ( -4.772 0.000 0.000) 4.772 10.937 ( 3.556 0.000 0.000) 3.556 10.973 ( 2.360 0.000 0.000) 2.360 10.993 ( 0.433 0.000 0.000) 0.433 11.146 ( 0.528 0.000 0.000) 0.528 11.168 ( -2.451 0.000 0.000) 2.451 11.240 ( -1.878 0.000 0.000) 1.878 12.486 ( 1.483 0.000 0.000) 1.483 12.674 ( -5.134 0.000 0.000) 5.134 12.966 ( 8.150 0.000 0.000) 8.150 13.140 ( 0.938 0.000 0.000) 0.938 13.280 ( -0.296 0.000 0.000) 0.296 13.469 ( -4.082 0.000 0.000) 4.082======================= Grid point 2 (3/60) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 21.820 0.000 0.000) 21.820 0.926 ( 24.233 0.000 0.000) 24.233 1.194 ( -17.839 0.000 0.000) 17.839 1.357 ( -22.260 0.000 0.000) 22.260 1.489 ( 30.466 0.000 0.000) 30.466 1.992 ( 1.429 0.000 0.000) 1.429 1.992 ( -19.979 0.000 0.000) 19.979 2.017 ( -1.233 0.000 0.000) 1.233 2.554 ( 10.156 0.000 0.000) 10.156 2.652 ( -0.220 0.000 0.000) 0.220 2.665 ( 8.653 0.000 0.000) 8.653 2.794 ( -5.479 0.000 0.000) 5.479 3.048 ( 2.481 0.000 0.000) 2.481 3.086 ( -1.863 0.000 0.000) 1.863 3.167 ( 4.402 0.000 0.000) 4.402 3.264 ( -4.524 0.000 0.000) 4.524 3.264 ( -1.783 0.000 0.000) 1.783 3.293 ( -2.761 0.000 0.000) 2.761 3.330 ( 0.564 0.000 0.000) 0.564 3.405 ( 0.859 0.000 0.000) 0.859 3.470 ( -10.238 0.000 0.000) 10.238 3.473 ( -4.992 0.000 0.000) 4.992 3.638 ( 4.537 0.000 0.000) 4.537 3.734 ( -5.250 0.000 0.000) 5.250 3.964 ( 2.359 0.000 0.000) 2.359 3.966 ( 2.041 0.000 0.000) 2.041 3.993 ( -0.517 0.000 0.000) 0.517 4.001 ( -1.827 0.000 0.000) 1.827 4.096 ( 3.821 0.000 0.000) 3.821 4.164 ( -3.322 0.000 0.000) 3.322 4.176 ( 6.568 0.000 0.000) 6.568 4.286 ( -4.961 0.000 0.000) 4.961 4.350 ( 4.685 0.000 0.000) 4.685 4.420 ( -2.739 0.000 0.000) 2.739 4.786 ( 3.679 0.000 0.000) 3.679 4.863 ( 0.768 0.000 0.000) 0.768 4.890 ( -0.944 0.000 0.000) 0.944 4.919 ( 1.608 0.000 0.000) 1.608 4.960 ( 2.571 0.000 0.000) 2.571 5.013 ( -3.194 0.000 0.000) 3.194 5.086 ( 7.474 0.000 0.000) 7.474 5.200 ( -3.393 0.000 0.000) 3.393 5.302 ( -1.729 0.000 0.000) 1.729 5.344 ( -7.631 0.000 0.000) 7.631 5.366 ( 7.050 0.000 0.000) 7.050 5.506 ( -7.859 0.000 0.000) 7.859 5.762 ( 3.490 0.000 0.000) 3.490 5.776 ( 0.860 0.000 0.000) 0.860 5.865 ( -1.456 0.000 0.000) 1.456 5.895 ( -3.725 0.000 0.000) 3.725 5.972 ( 2.598 0.000 0.000) 2.598 6.026 ( -2.994 0.000 0.000) 2.994 6.276 ( 2.115 0.000 0.000) 2.115 6.301 ( -0.624 0.000 0.000) 0.624 6.523 ( 3.465 0.000 0.000) 3.465 6.525 ( 4.528 0.000 0.000) 4.528 6.573 ( -1.046 0.000 0.000) 1.046 6.589 ( -3.476 0.000 0.000) 3.476 7.111 ( 4.118 0.000 0.000) 4.118 7.187 ( -3.945 0.000 0.000) 3.945 7.191 ( 8.548 0.000 0.000) 8.548 7.376 ( -11.090 0.000 0.000) 11.090 7.736 ( 1.672 0.000 0.000) 1.672 7.754 ( -0.281 0.000 0.000) 0.281 7.772 ( 0.653 0.000 0.000) 0.653 7.786 ( -0.824 0.000 0.000) 0.824 8.032 ( 1.864 0.000 0.000) 1.864 8.087 ( -4.240 0.000 0.000) 4.240 8.199 ( 6.307 0.000 0.000) 6.307 8.289 ( -3.585 0.000 0.000) 3.585 8.843 ( 7.786 0.000 0.000) 7.786 8.907 ( 5.655 0.000 0.000) 5.655 8.986 ( -7.157 0.000 0.000) 7.157 9.032 ( -7.210 0.000 0.000) 7.210 9.393 ( 0.190 0.000 0.000) 0.190 9.397 ( -0.232 0.000 0.000) 0.232 9.667 ( 0.064 0.000 0.000) 0.064 9.668 ( -0.025 0.000 0.000) 0.025 10.069 ( 8.425 0.000 0.000) 8.425 10.218 ( -6.467 0.000 0.000) 6.467 10.332 ( 7.393 0.000 0.000) 7.393 10.487 ( -8.026 0.000 0.000) 8.026 10.636 ( 1.706 0.000 0.000) 1.706 10.670 ( -2.194 0.000 0.000) 2.194 10.985 ( 1.650 0.000 0.000) 1.650 10.999 ( 0.001 0.000 0.000) 0.001 11.033 ( 3.872 0.000 0.000) 3.872 11.107 ( -3.928 0.000 0.000) 3.928 11.163 ( 1.405 0.000 0.000) 1.405 11.199 ( -2.306 0.000 0.000) 2.306 12.526 ( 2.813 0.000 0.000) 2.813 12.590 ( -4.013 0.000 0.000) 4.013 13.108 ( 6.003 0.000 0.000) 6.003 13.155 ( 0.132 0.000 0.000) 0.132 13.286 ( 1.823 0.000 0.000) 1.823 13.369 ( -6.117 0.000 0.000) 6.117======================= Grid point 5 (4/60) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( 0.000 25.535 0.000) 25.535 0.535 ( 0.000 27.076 0.000) 27.076 1.047 ( 0.000 51.528 0.000) 51.528 1.915 ( 0.000 3.711 0.000) 3.711 2.012 ( 0.000 5.446 0.000) 5.446 2.030 ( 0.000 -1.383 0.000) 1.383 2.080 ( 0.000 7.864 0.000) 7.864 2.163 ( 0.000 -2.687 0.000) 2.687 2.250 ( 0.000 21.325 0.000) 21.325 2.457 ( 0.000 11.251 0.000) 11.251 2.484 ( 0.000 -7.661 0.000) 7.661 2.966 ( 0.000 3.791 0.000) 3.791 2.991 ( 0.000 -10.775 0.000) 10.775 3.098 ( 0.000 3.451 0.000) 3.451 3.151 ( 0.000 1.321 0.000) 1.321 3.237 ( 0.000 -4.724 0.000) 4.724 3.282 ( 0.000 0.922 0.000) 0.922 3.340 ( 0.000 0.345 0.000) 0.345 3.460 ( 0.000 1.310 0.000) 1.310 3.508 ( 0.000 1.151 0.000) 1.151 3.560 ( 0.000 -4.586 0.000) 4.586 3.610 ( 0.000 -2.070 0.000) 2.070 3.650 ( 0.000 -4.659 0.000) 4.659 3.697 ( 0.000 -2.090 0.000) 2.090 3.810 ( 0.000 2.570 0.000) 2.570 3.880 ( 0.000 -2.765 0.000) 2.765 3.942 ( 0.000 -4.634 0.000) 4.634 4.001 ( 0.000 11.022 0.000) 11.022 4.063 ( 0.000 2.336 0.000) 2.336 4.068 ( 0.000 -4.825 0.000) 4.825 4.204 ( 0.000 4.558 0.000) 4.558 4.402 ( 0.000 11.432 0.000) 11.432 4.420 ( 0.000 2.286 0.000) 2.286 4.632 ( 0.000 -0.525 0.000) 0.525 4.677 ( 0.000 1.359 0.000) 1.359 4.706 ( 0.000 7.242 0.000) 7.242 4.806 ( 0.000 -3.008 0.000) 3.008 4.924 ( 0.000 1.082 0.000) 1.082 4.957 ( 0.000 -1.209 0.000) 1.209 5.100 ( 0.000 -1.102 0.000) 1.102 5.116 ( 0.000 3.763 0.000) 3.763 5.182 ( 0.000 -1.181 0.000) 1.181 5.213 ( 0.000 -2.231 0.000) 2.231 5.362 ( 0.000 6.853 0.000) 6.853 5.399 ( 0.000 -15.796 0.000) 15.796 5.513 ( 0.000 -3.990 0.000) 3.990 5.576 ( 0.000 -3.672 0.000) 3.672 5.719 ( 0.000 -9.767 0.000) 9.767 5.767 ( 0.000 -8.555 0.000) 8.555 5.843 ( 0.000 -6.960 0.000) 6.960 6.046 ( 0.000 4.520 0.000) 4.520 6.080 ( 0.000 6.842 0.000) 6.842 6.093 ( 0.000 -0.553 0.000) 0.553 6.260 ( 0.000 -3.693 0.000) 3.693 6.447 ( 0.000 -0.273 0.000) 0.273 6.589 ( 0.000 0.399 0.000) 0.399 6.652 ( 0.000 -1.134 0.000) 1.134 6.871 ( 0.000 1.133 0.000) 1.133 7.043 ( 0.000 1.548 0.000) 1.548 7.172 ( 0.000 -1.357 0.000) 1.357 7.177 ( 0.000 6.997 0.000) 6.997 7.669 ( 0.000 -3.782 0.000) 3.782 7.760 ( 0.000 0.448 0.000) 0.448 7.776 ( 0.000 7.291 0.000) 7.291 7.787 ( 0.000 -5.187 0.000) 5.187 7.788 ( 0.000 -7.556 0.000) 7.556 7.880 ( 0.000 1.690 0.000) 1.690 8.230 ( 0.000 -0.495 0.000) 0.495 8.309 ( 0.000 -4.107 0.000) 4.107 8.625 ( 0.000 -0.909 0.000) 0.909 8.676 ( 0.000 -1.274 0.000) 1.274 8.898 ( 0.000 6.926 0.000) 6.926 8.980 ( 0.000 -5.924 0.000) 5.924 9.195 ( 0.000 -0.848 0.000) 0.848 9.438 ( 0.000 2.853 0.000) 2.853 9.440 ( 0.000 1.961 0.000) 1.961 9.744 ( 0.000 6.259 0.000) 6.259 9.877 ( 0.000 1.194 0.000) 1.194 10.099 ( 0.000 -0.817 0.000) 0.817 10.191 ( 0.000 -0.679 0.000) 0.679 10.430 ( 0.000 1.149 0.000) 1.149 10.589 ( 0.000 -0.141 0.000) 0.141 10.655 ( 0.000 2.447 0.000) 2.447 10.842 ( 0.000 3.494 0.000) 3.494 10.850 ( 0.000 -2.337 0.000) 2.337 10.957 ( 0.000 0.304 0.000) 0.304 11.144 ( 0.000 0.276 0.000) 0.276 11.219 ( 0.000 2.011 0.000) 2.011 11.264 ( 0.000 1.185 0.000) 1.185 11.265 ( 0.000 1.012 0.000) 1.012 12.312 ( 0.000 -12.549 0.000) 12.549 12.746 ( 0.000 -11.304 0.000) 11.304 12.805 ( 0.000 5.334 0.000) 5.334 12.914 ( 0.000 8.745 0.000) 8.745 13.152 ( 0.000 1.516 0.000) 1.516 13.292 ( 0.000 0.904 0.000) 0.904======================= Grid point 6 (5/60) =======================q-point: ( 0.20 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( 12.599 21.297 0.000) 24.745 0.691 ( 17.462 17.011 0.000) 24.378 1.274 ( 21.303 40.918 0.000) 46.132 1.652 ( -17.647 4.352 0.000) 18.176 1.893 ( -19.513 8.936 0.000) 21.461 2.022 ( 1.811 4.940 0.000) 5.262 2.045 ( -3.231 4.190 0.000) 5.291 2.288 ( 14.963 -1.594 0.000) 15.048 2.315 ( 0.769 11.396 0.000) 11.422 2.522 ( 3.867 -6.319 0.000) 7.408 2.616 ( 11.680 12.798 0.000) 17.327 2.946 ( -1.533 2.428 0.000) 2.871 3.023 ( 2.724 -8.874 0.000) 9.282 3.092 ( -0.049 5.841 0.000) 5.841 3.139 ( -0.845 1.794 0.000) 1.983 3.236 ( -2.944 1.483 0.000) 3.297 3.239 ( -0.366 -4.792 0.000) 4.806 3.315 ( -2.032 0.661 0.000) 2.137 3.471 ( -10.283 -2.930 0.000) 10.692 3.497 ( 1.871 4.151 0.000) 4.553 3.514 ( -3.655 -5.894 0.000) 6.935 3.570 ( -8.271 -2.530 0.000) 8.650 3.574 ( -1.240 -2.623 0.000) 2.902 3.701 ( 5.961 -8.210 0.000) 10.146 3.876 ( 2.600 -2.448 0.000) 3.572 3.911 ( -7.064 6.587 0.000) 9.659 3.953 ( 5.214 1.632 0.000) 5.464 3.964 ( 2.180 -4.879 0.000) 5.344 4.079 ( 1.290 -4.319 0.000) 4.508 4.089 ( 0.613 4.659 0.000) 4.699 4.158 ( -1.803 0.776 0.000) 1.963 4.408 ( -1.764 2.998 0.000) 3.479 4.462 ( 4.374 13.445 0.000) 14.139 4.600 ( -2.537 5.808 0.000) 6.338 4.720 ( 2.309 0.365 0.000) 2.338 4.722 ( 3.796 -0.665 0.000) 3.854 4.815 ( 1.117 -3.426 0.000) 3.604 4.943 ( 1.852 2.074 0.000) 2.781 4.989 ( 3.442 -0.701 0.000) 3.512 5.039 ( -5.650 3.630 0.000) 6.716 5.084 ( -1.137 1.186 0.000) 1.643 5.201 ( 1.735 -2.395 0.000) 2.958 5.232 ( 0.251 -0.539 0.000) 0.594 5.400 ( 3.184 5.754 0.000) 6.576 5.431 ( -3.339 -10.792 0.000) 11.296 5.485 ( -0.675 -8.896 0.000) 8.922 5.538 ( 2.031 -6.890 0.000) 7.183 5.746 ( -1.883 -5.046 0.000) 5.386 5.826 ( -1.552 -8.962 0.000) 9.096 5.881 ( 9.101 -10.753 0.000) 14.087 5.987 ( -4.353 6.602 0.000) 7.908 6.074 ( -1.864 -0.869 0.000) 2.056 6.101 ( 2.442 4.707 0.000) 5.302 6.262 ( 0.047 -3.870 0.000) 3.870 6.467 ( 1.991 -0.415 0.000) 2.033 6.574 ( -1.410 -0.025 0.000) 1.411 6.648 ( -0.599 -0.355 0.000) 0.696 6.769 ( -9.072 7.724 0.000) 11.915 7.063 ( 2.017 0.752 0.000) 2.152 7.104 ( 0.030 1.224 0.000) 1.224 7.230 ( 0.786 2.229 0.000) 2.363 7.574 ( -10.208 -2.916 0.000) 10.616 7.702 ( -0.226 0.507 0.000) 0.555 7.733 ( -1.138 0.253 0.000) 1.165 7.834 ( 2.961 -7.319 0.000) 7.896 7.857 ( 3.827 7.130 0.000) 8.092 7.960 ( 3.567 -4.974 0.000) 6.120 8.212 ( -0.417 1.649 0.000) 1.701 8.303 ( -1.671 -2.644 0.000) 3.128 8.394 ( -19.820 19.260 0.000) 27.637 8.683 ( 5.463 -1.819 0.000) 5.758 8.855 ( 1.698 3.657 0.000) 4.032 8.978 ( -2.272 -5.952 0.000) 6.371 9.146 ( -4.839 0.019 0.000) 4.839 9.440 ( 0.215 3.097 0.000) 3.105 9.451 ( 0.463 1.642 0.000) 1.706 9.733 ( -0.544 5.568 0.000) 5.594 9.903 ( -11.400 12.685 0.000) 17.055 9.946 ( 6.456 1.551 0.000) 6.639 10.238 ( 5.119 4.315 0.000) 6.695 10.360 ( -4.666 0.508 0.000) 4.693 10.602 ( 0.732 -0.396 0.000) 0.833 10.623 ( -3.758 2.076 0.000) 4.293 10.745 ( -5.119 0.825 0.000) 5.185 10.930 ( 3.619 0.030 0.000) 3.619 10.976 ( 1.949 -0.004 0.000) 1.949 11.034 ( -6.362 3.258 0.000) 7.148 11.126 ( -1.923 -0.630 0.000) 2.024 11.235 ( -0.243 5.170 0.000) 5.176 11.254 ( -1.015 1.811 0.000) 2.076 12.446 ( 4.766 -7.773 0.000) 9.118 12.663 ( -4.999 -3.994 0.000) 6.399 12.915 ( 7.622 -2.481 0.000) 8.016 13.119 ( 6.002 -7.243 0.000) 9.407 13.189 ( 5.573 -4.719 0.000) 7.302 13.284 ( -0.810 0.695 0.000) 1.067======================= Grid point 7 (6/60) =======================q-point: ( 0.40 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 16.924 13.281 0.000) 21.513 1.057 ( 18.862 9.409 0.000) 21.079 1.321 ( -15.220 10.574 0.000) 18.533 1.507 ( -21.548 10.027 0.000) 23.767 1.708 ( 21.514 21.439 0.000) 30.373 1.964 ( -6.690 4.618 0.000) 8.129 2.078 ( 5.094 8.692 0.000) 10.075 2.235 ( -9.413 14.808 0.000) 17.547 2.514 ( 8.602 -4.029 0.000) 9.498 2.582 ( 0.991 -5.820 0.000) 5.904 2.803 ( 7.908 12.671 0.000) 14.937 2.904 ( -3.412 7.812 0.000) 8.525 3.066 ( 2.106 -4.808 0.000) 5.249 3.122 ( -2.064 2.779 0.000) 3.462 3.134 ( 4.913 2.333 0.000) 5.439 3.195 ( -1.076 -0.509 0.000) 1.191 3.208 ( -3.512 -4.895 0.000) 6.024 3.259 ( -6.850 -2.106 0.000) 7.166 3.299 ( 0.308 -0.268 0.000) 0.408 3.404 ( -7.561 -3.133 0.000) 8.184 3.468 ( 0.202 -0.380 0.000) 0.431 3.516 ( -3.762 -1.327 0.000) 3.989 3.611 ( 6.955 2.171 0.000) 7.286 3.746 ( -5.877 1.986 0.000) 6.203 3.817 ( 1.920 -7.472 0.000) 7.714 3.872 ( -2.401 -6.921 0.000) 7.326 4.014 ( 2.829 -4.583 0.000) 5.386 4.020 ( 2.594 3.725 0.000) 4.539 4.067 ( -2.134 -6.466 0.000) 6.809 4.071 ( -2.127 3.108 0.000) 3.766 4.225 ( 7.027 2.102 0.000) 7.335 4.345 ( -5.186 3.500 0.000) 6.256 4.528 ( 2.570 12.174 0.000) 12.442 4.563 ( -1.610 9.137 0.000) 9.278 4.768 ( 2.164 -7.486 0.000) 7.793 4.779 ( 1.511 -5.780 0.000) 5.974 4.850 ( 2.906 1.199 0.000) 3.144 4.924 ( -4.518 6.300 0.000) 7.753 5.011 ( 2.864 2.398 0.000) 3.735 5.048 ( -0.175 0.953 0.000) 0.969 5.104 ( 5.763 2.270 0.000) 6.194 5.206 ( -3.110 0.629 0.000) 3.173 5.232 ( 1.519 -3.618 0.000) 3.924 5.303 ( -7.358 -3.919 0.000) 8.336 5.449 ( 2.044 2.469 0.000) 3.205 5.478 ( -0.863 -4.932 0.000) 5.007 5.620 ( 5.025 -13.102 0.000) 14.032 5.702 ( -3.382 -9.394 0.000) 9.984 5.813 ( 0.991 -1.119 0.000) 1.495 5.865 ( -4.382 6.085 0.000) 7.499 6.006 ( 1.939 -2.684 0.000) 3.311 6.036 ( -1.875 -1.111 0.000) 2.179 6.185 ( 5.211 -3.416 0.000) 6.231 6.250 ( -1.795 -4.517 0.000) 4.860 6.510 ( 2.256 -0.450 0.000) 2.301 6.545 ( -1.657 -0.434 0.000) 1.713 6.633 ( -0.758 1.320 0.000) 1.522 6.646 ( -3.219 5.477 0.000) 6.353 7.107 ( 2.399 -1.366 0.000) 2.760 7.131 ( 0.601 -4.016 0.000) 4.061 7.253 ( 3.760 4.541 0.000) 5.895 7.384 ( -9.427 0.410 0.000) 9.436 7.710 ( 0.633 0.295 0.000) 0.698 7.720 ( -0.494 0.682 0.000) 0.842 7.889 ( 3.188 -8.064 0.000) 8.671 7.944 ( 1.751 -4.849 0.000) 5.156 7.960 ( 1.564 8.032 0.000) 8.183 8.102 ( -10.355 15.899 0.000) 18.974 8.248 ( 3.278 2.257 0.000) 3.980 8.297 ( -1.792 0.508 0.000) 1.862 8.797 ( 6.303 -3.468 0.000) 7.194 8.899 ( -3.118 -5.394 0.000) 6.231 8.934 ( 3.280 3.010 0.000) 4.452 9.038 ( -6.296 1.639 0.000) 6.506 9.446 ( 0.355 3.423 0.000) 3.441 9.452 ( -0.266 2.895 0.000) 2.907 9.735 ( 0.886 6.181 0.000) 6.244 9.774 ( -3.755 9.568 0.000) 10.278 10.087 ( 8.355 1.412 0.000) 8.474 10.236 ( -7.115 0.981 0.000) 7.183 10.374 ( 7.403 3.756 0.000) 8.302 10.516 ( -7.335 2.524 0.000) 7.757 10.625 ( 1.848 -1.188 0.000) 2.197 10.670 ( -3.074 -0.267 0.000) 3.086 10.975 ( 1.286 -0.713 0.000) 1.471 10.988 ( -0.618 -0.687 0.000) 0.924 11.024 ( 3.059 -0.834 0.000) 3.171 11.080 ( -2.908 -1.483 0.000) 3.264 11.231 ( -0.112 5.550 0.000) 5.551 11.236 ( -0.709 3.882 0.000) 3.946 12.513 ( 3.342 -3.430 0.000) 4.789 12.580 ( -4.011 -2.816 0.000) 4.901 13.053 ( 6.773 -4.836 0.000) 8.323 13.138 ( -1.877 -3.982 0.000) 4.402 13.249 ( 0.821 -5.364 0.000) 5.427 13.265 ( -1.139 -0.426 0.000) 1.217======================= Grid point 10 (7/60) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 0.000 24.713 0.000) 24.713 1.066 ( 0.000 26.495 0.000) 26.495 1.936 ( 0.000 12.620 0.000) 12.620 2.010 ( 0.000 5.463 0.000) 5.463 2.047 ( 0.000 27.105 0.000) 27.105 2.125 ( 0.000 -1.186 0.000) 1.186 2.153 ( 0.000 -1.806 0.000) 1.806 2.161 ( 0.000 9.436 0.000) 9.436 2.326 ( 0.000 -7.651 0.000) 7.651 2.660 ( 0.000 -18.391 0.000) 18.391 2.715 ( 0.000 14.066 0.000) 14.066 2.768 ( 0.000 25.699 0.000) 25.699 2.995 ( 0.000 -11.531 0.000) 11.531 3.074 ( 0.000 6.951 0.000) 6.951 3.111 ( 0.000 -4.133 0.000) 4.133 3.181 ( 0.000 1.525 0.000) 1.525 3.359 ( 0.000 1.098 0.000) 1.098 3.459 ( 0.000 -4.001 0.000) 4.001 3.469 ( 0.000 6.929 0.000) 6.929 3.507 ( 0.000 -2.746 0.000) 2.746 3.548 ( 0.000 -5.639 0.000) 5.639 3.602 ( 0.000 2.512 0.000) 2.512 3.607 ( 0.000 14.801 0.000) 14.801 3.659 ( 0.000 -1.325 0.000) 1.325 3.831 ( 0.000 -0.366 0.000) 0.366 3.847 ( 0.000 -4.212 0.000) 4.212 3.887 ( 0.000 1.520 0.000) 1.520 3.963 ( 0.000 -3.423 0.000) 3.423 4.123 ( 0.000 3.822 0.000) 3.822 4.231 ( 0.000 11.811 0.000) 11.811 4.365 ( 0.000 11.273 0.000) 11.273 4.485 ( 0.000 4.039 0.000) 4.039 4.550 ( 0.000 3.828 0.000) 3.828 4.574 ( 0.000 -3.788 0.000) 3.788 4.682 ( 0.000 -10.678 0.000) 10.678 4.784 ( 0.000 -0.716 0.000) 0.716 4.797 ( 0.000 -20.683 0.000) 20.683 4.800 ( 0.000 10.383 0.000) 10.383 4.860 ( 0.000 -6.021 0.000) 6.021 5.032 ( 0.000 -3.746 0.000) 3.746 5.115 ( 0.000 -5.374 0.000) 5.374 5.158 ( 0.000 5.645 0.000) 5.645 5.302 ( 0.000 1.008 0.000) 1.008 5.315 ( 0.000 14.534 0.000) 14.534 5.433 ( 0.000 -2.451 0.000) 2.451 5.485 ( 0.000 -6.159 0.000) 6.159 5.535 ( 0.000 6.171 0.000) 6.171 5.538 ( 0.000 -7.993 0.000) 7.993 5.561 ( 0.000 -11.697 0.000) 11.697 5.703 ( 0.000 -2.734 0.000) 2.734 6.069 ( 0.000 -1.765 0.000) 1.765 6.071 ( 0.000 -1.050 0.000) 1.050 6.178 ( 0.000 2.795 0.000) 2.795 6.187 ( 0.000 -2.790 0.000) 2.790 6.408 ( 0.000 -5.011 0.000) 5.011 6.600 ( 0.000 0.731 0.000) 0.731 6.617 ( 0.000 -2.748 0.000) 2.748 6.901 ( 0.000 2.106 0.000) 2.106 6.950 ( 0.000 -13.104 0.000) 13.104 7.123 ( 0.000 -3.762 0.000) 3.762 7.328 ( 0.000 6.774 0.000) 6.774 7.563 ( 0.000 -1.045 0.000) 1.045 7.601 ( 0.000 -9.593 0.000) 9.593 7.792 ( 0.000 3.424 0.000) 3.424 7.793 ( 0.000 3.158 0.000) 3.158 7.805 ( 0.000 -2.345 0.000) 2.345 7.986 ( 0.000 3.540 0.000) 3.540 8.196 ( 0.000 -6.844 0.000) 6.844 8.258 ( 0.000 5.179 0.000) 5.179 8.599 ( 0.000 -1.862 0.000) 1.862 8.706 ( 0.000 4.328 0.000) 4.328 8.916 ( 0.000 -0.803 0.000) 0.803 9.028 ( 0.000 5.923 0.000) 5.923 9.230 ( 0.000 4.500 0.000) 4.500 9.409 ( 0.000 -5.135 0.000) 5.135 9.481 ( 0.000 0.770 0.000) 0.770 9.856 ( 0.000 4.371 0.000) 4.371 9.903 ( 0.000 1.196 0.000) 1.196 10.082 ( 0.000 -0.605 0.000) 0.605 10.162 ( 0.000 -2.196 0.000) 2.196 10.473 ( 0.000 2.942 0.000) 2.942 10.583 ( 0.000 -0.479 0.000) 0.479 10.698 ( 0.000 1.628 0.000) 1.628 10.799 ( 0.000 -2.618 0.000) 2.618 10.928 ( 0.000 3.915 0.000) 3.915 10.958 ( 0.000 -0.060 0.000) 0.060 11.154 ( 0.000 0.717 0.000) 0.717 11.224 ( 0.000 -0.926 0.000) 0.926 11.337 ( 0.000 7.749 0.000) 7.749 11.352 ( 0.000 7.128 0.000) 7.128 12.043 ( 0.000 -14.125 0.000) 14.125 12.430 ( 0.000 -19.781 0.000) 19.781 12.953 ( 0.000 9.156 0.000) 9.156 13.072 ( 0.000 6.793 0.000) 6.793 13.187 ( 0.000 1.686 0.000) 1.686 13.307 ( 0.000 -0.034 0.000) 0.034======================= Grid point 11 (8/60) =======================q-point: ( 0.20 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 7.554 20.692 0.000) 22.028 1.124 ( 6.043 24.077 0.000) 24.824 1.756 ( -11.844 5.655 0.000) 13.125 1.935 ( -14.054 -0.533 0.000) 14.064 2.042 ( -0.061 21.113 0.000) 21.113 2.158 ( -3.509 0.418 0.000) 3.534 2.192 ( 11.048 23.003 0.000) 25.518 2.247 ( 8.933 -2.804 0.000) 9.362 2.364 ( 1.919 -5.899 0.000) 6.204 2.645 ( 0.191 16.320 0.000) 16.321 2.717 ( 5.731 -13.763 0.000) 14.909 2.940 ( 9.097 15.877 0.000) 18.298 3.004 ( 1.213 -9.766 0.000) 9.841 3.079 ( 0.724 6.303 0.000) 6.344 3.126 ( 1.841 -1.832 0.000) 2.597 3.176 ( -0.585 1.108 0.000) 1.253 3.335 ( -2.720 0.773 0.000) 2.828 3.408 ( -5.379 -1.610 0.000) 5.615 3.459 ( -1.465 6.711 0.000) 6.869 3.508 ( -1.907 -0.604 0.000) 2.000 3.531 ( -7.898 -1.168 0.000) 7.984 3.550 ( -0.228 3.899 0.000) 3.906 3.577 ( -0.764 3.029 0.000) 3.124 3.614 ( 1.740 6.233 0.000) 6.471 3.853 ( 0.515 -5.558 0.000) 5.581 3.854 ( 0.800 -0.045 0.000) 0.801 3.921 ( 0.893 -5.373 0.000) 5.446 4.047 ( -7.027 7.021 0.000) 9.933 4.051 ( 7.907 2.694 0.000) 8.353 4.223 ( -1.407 8.877 0.000) 8.988 4.235 ( -7.700 7.437 0.000) 10.706 4.468 ( -1.492 0.996 0.000) 1.794 4.587 ( 0.163 -1.689 0.000) 1.697 4.612 ( -0.398 -8.415 0.000) 8.425 4.662 ( 2.284 3.233 0.000) 3.959 4.720 ( -3.523 -6.337 0.000) 7.250 4.854 ( 4.113 -14.192 0.000) 14.776 4.867 ( 5.416 8.548 0.000) 10.119 4.904 ( 4.204 -6.710 0.000) 7.918 5.059 ( 1.981 -2.091 0.000) 2.880 5.123 ( 1.184 -4.334 0.000) 4.492 5.167 ( 0.524 4.646 0.000) 4.675 5.273 ( -1.846 7.643 0.000) 7.863 5.320 ( -1.931 3.199 0.000) 3.736 5.402 ( -3.335 0.005 0.000) 3.335 5.441 ( 0.937 -4.299 0.000) 4.400 5.479 ( -3.236 -1.307 0.000) 3.489 5.614 ( 0.267 -7.975 0.000) 7.979 5.670 ( 9.031 -9.510 0.000) 13.115 5.711 ( 3.357 2.072 0.000) 3.945 6.048 ( -2.042 -1.287 0.000) 2.414 6.049 ( -2.244 -0.000 0.000) 2.244 6.180 ( -0.639 -3.525 0.000) 3.582 6.185 ( 0.591 2.967 0.000) 3.025 6.425 ( 1.816 -4.763 0.000) 5.098 6.572 ( -2.312 -1.020 0.000) 2.527 6.629 ( 0.640 -1.037 0.000) 1.218 6.842 ( -6.287 2.066 0.000) 6.618 6.960 ( 0.955 -13.076 0.000) 13.111 7.070 ( -4.125 -4.043 0.000) 5.776 7.327 ( 0.308 5.349 0.000) 5.358 7.516 ( -4.948 0.519 0.000) 4.975 7.617 ( 1.358 -9.881 0.000) 9.974 7.711 ( -2.883 -0.176 0.000) 2.888 7.797 ( 0.637 4.061 0.000) 4.110 7.870 ( 0.804 -0.408 0.000) 0.901 8.021 ( 3.896 2.208 0.000) 4.479 8.204 ( 0.489 -6.470 0.000) 6.488 8.278 ( 2.479 7.059 0.000) 7.481 8.628 ( -8.614 7.963 0.000) 11.731 8.644 ( 4.288 -2.292 0.000) 4.862 8.869 ( -3.312 -1.342 0.000) 3.573 9.016 ( 0.463 7.178 0.000) 7.192 9.198 ( -3.165 5.366 0.000) 6.230 9.435 ( 2.041 -3.249 0.000) 3.837 9.485 ( 0.320 0.676 0.000) 0.748 9.842 ( 0.075 4.961 0.000) 4.961 9.974 ( 6.104 0.911 0.000) 6.172 10.054 ( -3.177 4.126 0.000) 5.208 10.235 ( 5.596 -3.470 0.000) 6.584 10.412 ( -4.142 4.046 0.000) 5.790 10.587 ( -0.263 -1.231 0.000) 1.259 10.662 ( -3.843 1.620 0.000) 4.170 10.742 ( -4.846 -1.197 0.000) 4.992 10.951 ( 1.504 1.449 0.000) 2.088 10.970 ( 1.217 -0.429 0.000) 1.291 11.086 ( -8.096 1.652 0.000) 8.262 11.122 ( -4.155 0.070 0.000) 4.155 11.345 ( 0.876 8.544 0.000) 8.589 11.366 ( 1.109 8.256 0.000) 8.330 12.168 ( 9.088 -17.094 0.000) 19.359 12.419 ( -1.280 -18.798 0.000) 18.842 12.978 ( 2.543 7.540 0.000) 7.957 13.091 ( 1.183 3.895 0.000) 4.070 13.201 ( 1.527 1.465 0.000) 2.117 13.298 ( -0.927 0.076 0.000) 0.930======================= Grid point 12 (9/60) =======================q-point: ( 0.40 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 11.480 12.268 0.000) 16.802 1.269 ( 8.513 17.767 0.000) 19.702 1.550 ( -8.566 12.012 0.000) 14.754 1.648 ( -15.583 5.604 0.000) 16.560 2.045 ( 0.800 6.576 0.000) 6.625 2.083 ( -3.456 2.450 0.000) 4.236 2.335 ( 4.593 1.593 0.000) 4.861 2.377 ( -0.437 -4.853 0.000) 4.873 2.476 ( 13.001 15.209 0.000) 20.009 2.641 ( -3.751 14.484 0.000) 14.962 2.860 ( 9.789 -7.074 0.000) 12.078 3.025 ( -0.509 3.263 0.000) 3.302 3.033 ( 1.243 -3.599 0.000) 3.807 3.075 ( -8.498 -4.728 0.000) 9.724 3.119 ( 4.249 3.318 0.000) 5.391 3.194 ( -0.077 5.395 0.000) 5.396 3.310 ( 2.243 2.393 0.000) 3.280 3.331 ( 0.592 9.672 0.000) 9.690 3.396 ( -5.423 5.750 0.000) 7.904 3.431 ( -6.028 7.439 0.000) 9.574 3.443 ( 0.116 -0.631 0.000) 0.641 3.486 ( -3.677 5.126 0.000) 6.308 3.650 ( 5.983 -3.723 0.000) 7.047 3.710 ( 5.610 6.261 0.000) 8.407 3.801 ( -4.369 0.198 0.000) 4.373 3.867 ( -0.397 -6.872 0.000) 6.884 3.902 ( -6.584 7.430 0.000) 9.928 3.913 ( -1.807 -6.331 0.000) 6.583 4.124 ( 1.603 5.687 0.000) 5.909 4.175 ( -3.319 6.484 0.000) 7.284 4.264 ( 8.634 1.953 0.000) 8.852 4.410 ( -5.846 2.288 0.000) 6.278 4.566 ( -0.933 -7.246 0.000) 7.306 4.576 ( -1.695 -9.614 0.000) 9.763 4.700 ( 0.864 -1.538 0.000) 1.764 4.707 ( 0.953 2.394 0.000) 2.577 4.933 ( 3.696 -13.049 0.000) 13.563 4.955 ( 2.235 -2.614 0.000) 3.439 4.991 ( 5.291 -2.925 0.000) 6.045 5.067 ( -1.920 0.656 0.000) 2.029 5.162 ( 2.452 -0.343 0.000) 2.476 5.183 ( 2.421 5.316 0.000) 5.842 5.223 ( -3.915 4.254 0.000) 5.781 5.251 ( -4.195 2.554 0.000) 4.911 5.373 ( 0.895 0.955 0.000) 1.309 5.419 ( -3.279 -1.897 0.000) 3.788 5.492 ( 3.639 -3.304 0.000) 4.915 5.563 ( -3.930 -4.483 0.000) 5.962 5.809 ( 4.492 -0.724 0.000) 4.550 5.810 ( 4.752 -8.319 0.000) 9.581 6.005 ( -1.708 1.700 0.000) 2.410 6.008 ( -1.781 -0.134 0.000) 1.786 6.172 ( 0.126 -2.625 0.000) 2.628 6.186 ( -0.739 1.701 0.000) 1.854 6.469 ( 2.774 -4.092 0.000) 4.943 6.523 ( -2.928 -2.576 0.000) 3.900 6.645 ( 1.546 0.325 0.000) 1.580 6.711 ( -6.093 1.774 0.000) 6.346 6.981 ( 1.281 -12.120 0.000) 12.188 7.011 ( -2.225 -8.435 0.000) 8.723 7.349 ( 2.249 4.664 0.000) 5.178 7.415 ( -4.971 3.373 0.000) 6.007 7.646 ( 1.814 -8.794 0.000) 8.979 7.678 ( -1.440 -4.460 0.000) 4.687 7.815 ( 1.319 3.946 0.000) 4.161 7.848 ( -2.082 1.276 0.000) 2.442 8.111 ( 5.275 -0.292 0.000) 5.283 8.190 ( -2.581 -4.686 0.000) 5.350 8.346 ( 4.633 9.767 0.000) 10.810 8.457 ( -7.969 12.088 0.000) 14.478 8.734 ( 4.928 -2.982 0.000) 5.760 8.813 ( -3.428 -3.225 0.000) 4.707 9.054 ( 3.317 8.450 0.000) 9.078 9.127 ( -4.249 7.221 0.000) 8.378 9.469 ( 1.465 -1.222 0.000) 1.907 9.486 ( -0.363 0.070 0.000) 0.370 9.874 ( 3.503 7.168 0.000) 7.978 9.965 ( -5.725 8.471 0.000) 10.224 10.106 ( 7.754 0.111 0.000) 7.755 10.237 ( -5.506 -1.066 0.000) 5.608 10.440 ( 6.424 2.331 0.000) 6.834 10.564 ( -6.408 1.890 0.000) 6.681 10.590 ( 1.489 -2.286 0.000) 2.728 10.651 ( -4.620 -1.716 0.000) 4.928 10.968 ( 0.491 -0.044 0.000) 0.493 10.988 ( -2.416 0.680 0.000) 2.509 11.003 ( 2.316 -1.130 0.000) 2.577 11.055 ( -3.271 -1.187 0.000) 3.480 11.365 ( 1.058 9.592 0.000) 9.650 11.377 ( -0.087 9.455 0.000) 9.456 12.303 ( 5.515 -16.985 0.000) 17.858 12.380 ( -3.000 -17.212 0.000) 17.471 13.037 ( 3.434 4.263 0.000) 5.474 13.088 ( -1.698 2.231 0.000) 2.804 13.237 ( 2.107 0.846 0.000) 2.270 13.273 ( -1.720 0.377 0.000) 1.761======================= Grid point 15 (10/60) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 0.000 21.815 0.000) 21.815 1.569 ( 0.000 23.964 0.000) 23.964 1.821 ( 0.000 -12.370 0.000) 12.370 1.978 ( 0.000 -15.992 0.000) 15.992 2.122 ( 0.000 1.144 0.000) 1.144 2.124 ( 0.000 6.362 0.000) 6.362 2.184 ( 0.000 -5.547 0.000) 5.547 2.302 ( 0.000 -12.602 0.000) 12.602 2.381 ( 0.000 12.610 0.000) 12.610 2.608 ( 0.000 -3.687 0.000) 3.687 2.925 ( 0.000 20.934 0.000) 20.934 2.977 ( 0.000 11.333 0.000) 11.333 3.071 ( 0.000 3.792 0.000) 3.792 3.154 ( 0.000 4.878 0.000) 4.878 3.197 ( 0.000 -0.492 0.000) 0.492 3.231 ( 0.000 8.640 0.000) 8.640 3.343 ( 0.000 -14.770 0.000) 14.770 3.355 ( 0.000 -1.461 0.000) 1.461 3.358 ( 0.000 -3.663 0.000) 3.663 3.400 ( 0.000 -8.147 0.000) 8.147 3.617 ( 0.000 8.693 0.000) 8.693 3.675 ( 0.000 3.408 0.000) 3.408 3.695 ( 0.000 5.759 0.000) 5.759 3.771 ( 0.000 -5.150 0.000) 5.150 3.797 ( 0.000 -5.884 0.000) 5.884 3.803 ( 0.000 -2.524 0.000) 2.524 3.935 ( 0.000 15.036 0.000) 15.036 4.082 ( 0.000 11.926 0.000) 11.926 4.190 ( 0.000 -1.789 0.000) 1.789 4.340 ( 0.000 -14.100 0.000) 14.100 4.358 ( 0.000 -2.848 0.000) 2.848 4.380 ( 0.000 -16.115 0.000) 16.115 4.602 ( 0.000 5.316 0.000) 5.316 4.631 ( 0.000 12.995 0.000) 12.995 4.634 ( 0.000 5.228 0.000) 5.228 4.637 ( 0.000 12.622 0.000) 12.622 4.722 ( 0.000 -3.941 0.000) 3.941 4.755 ( 0.000 -4.602 0.000) 4.602 4.890 ( 0.000 -8.151 0.000) 8.151 4.931 ( 0.000 -10.609 0.000) 10.609 5.083 ( 0.000 8.373 0.000) 8.373 5.259 ( 0.000 -0.785 0.000) 0.785 5.330 ( 0.000 1.530 0.000) 1.530 5.348 ( 0.000 -4.412 0.000) 4.412 5.349 ( 0.000 -1.912 0.000) 1.912 5.370 ( 0.000 -3.112 0.000) 3.112 5.408 ( 0.000 -4.725 0.000) 4.725 5.450 ( 0.000 -7.698 0.000) 7.698 5.704 ( 0.000 19.009 0.000) 19.009 5.882 ( 0.000 12.102 0.000) 12.102 6.003 ( 0.000 -8.289 0.000) 8.289 6.022 ( 0.000 -3.346 0.000) 3.346 6.199 ( 0.000 6.229 0.000) 6.229 6.200 ( 0.000 0.311 0.000) 0.311 6.255 ( 0.000 -7.289 0.000) 7.289 6.466 ( 0.000 -15.653 0.000) 15.653 6.621 ( 0.000 1.490 0.000) 1.490 6.683 ( 0.000 -7.024 0.000) 7.024 6.956 ( 0.000 3.462 0.000) 3.462 7.035 ( 0.000 -4.488 0.000) 4.488 7.415 ( 0.000 2.468 0.000) 2.468 7.466 ( 0.000 -3.895 0.000) 3.895 7.628 ( 0.000 5.415 0.000) 5.415 7.733 ( 0.000 -4.755 0.000) 4.755 7.872 ( 0.000 4.593 0.000) 4.593 7.902 ( 0.000 7.213 0.000) 7.213 7.962 ( 0.000 -3.990 0.000) 3.990 8.052 ( 0.000 -7.584 0.000) 7.584 8.413 ( 0.000 8.190 0.000) 8.190 8.540 ( 0.000 -4.524 0.000) 4.524 8.824 ( 0.000 6.407 0.000) 6.407 8.906 ( 0.000 -1.478 0.000) 1.478 9.134 ( 0.000 5.340 0.000) 5.340 9.267 ( 0.000 -8.005 0.000) 8.005 9.348 ( 0.000 6.509 0.000) 6.509 9.454 ( 0.000 -3.587 0.000) 3.587 9.911 ( 0.000 1.354 0.000) 1.354 9.919 ( 0.000 0.332 0.000) 0.332 10.083 ( 0.000 0.848 0.000) 0.848 10.115 ( 0.000 -2.233 0.000) 2.233 10.530 ( 0.000 2.495 0.000) 2.495 10.567 ( 0.000 -1.272 0.000) 1.272 10.724 ( 0.000 1.187 0.000) 1.187 10.753 ( 0.000 -1.907 0.000) 1.907 10.959 ( 0.000 0.269 0.000) 0.269 10.964 ( 0.000 0.158 0.000) 0.158 11.173 ( 0.000 1.213 0.000) 1.213 11.200 ( 0.000 -1.413 0.000) 1.413 11.530 ( 0.000 10.769 0.000) 10.769 11.598 ( 0.000 18.052 0.000) 18.052 11.770 ( 0.000 -13.271 0.000) 13.271 12.006 ( 0.000 -22.118 0.000) 22.118 13.137 ( 0.000 8.617 0.000) 8.617 13.173 ( 0.000 3.335 0.000) 3.335 13.205 ( 0.000 -0.109 0.000) 0.109 13.268 ( 0.000 -4.280 0.000) 4.280======================= Grid point 16 (11/60) =======================q-point: ( 0.20 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 1.262 19.459 0.000) 19.500 1.580 ( 1.023 21.006 0.000) 21.031 1.771 ( -4.040 -7.336 0.000) 8.375 1.883 ( -7.969 -7.622 0.000) 11.027 2.108 ( -2.436 -0.658 0.000) 2.524 2.162 ( 0.257 1.293 0.000) 1.318 2.182 ( -4.351 -2.265 0.000) 4.905 2.208 ( 1.805 -9.250 0.000) 9.424 2.537 ( 10.983 2.073 0.000) 11.177 2.642 ( 3.694 -3.168 0.000) 4.867 2.923 ( -3.910 11.509 0.000) 12.155 2.997 ( 6.798 19.546 0.000) 20.695 3.079 ( -0.618 -0.714 0.000) 0.945 3.145 ( -3.735 1.537 0.000) 4.039 3.223 ( 4.349 -0.163 0.000) 4.353 3.225 ( -0.485 8.061 0.000) 8.076 3.334 ( -0.336 1.835 0.000) 1.865 3.369 ( 2.494 -13.261 0.000) 13.493 3.384 ( -1.738 -8.048 0.000) 8.233 3.396 ( 2.977 -2.410 0.000) 3.830 3.569 ( -7.173 6.139 0.000) 9.441 3.636 ( 1.364 8.549 0.000) 8.657 3.709 ( -2.066 -5.068 0.000) 5.473 3.762 ( -1.235 -3.995 0.000) 4.181 3.823 ( 6.122 6.912 0.000) 9.233 3.893 ( -3.483 15.880 0.000) 16.257 3.908 ( 7.538 0.075 0.000) 7.539 4.142 ( 5.508 7.672 0.000) 9.445 4.188 ( -0.550 2.239 0.000) 2.306 4.299 ( -1.202 -12.520 0.000) 12.577 4.375 ( -0.578 -13.771 0.000) 13.783 4.396 ( 1.539 -7.240 0.000) 7.402 4.450 ( -11.474 13.637 0.000) 17.822 4.474 ( -8.088 7.201 0.000) 10.829 4.620 ( -6.009 -1.354 0.000) 6.160 4.698 ( -1.520 -4.784 0.000) 5.020 4.757 ( 4.104 4.288 0.000) 5.935 4.764 ( 1.425 -2.630 0.000) 2.992 4.861 ( -0.951 -8.082 0.000) 8.138 4.956 ( 1.460 -10.176 0.000) 10.281 5.170 ( 7.878 9.859 0.000) 12.620 5.284 ( 1.285 5.208 0.000) 5.364 5.319 ( -0.494 0.817 0.000) 0.955 5.331 ( -2.288 0.071 0.000) 2.289 5.372 ( 2.206 -6.376 0.000) 6.747 5.384 ( 3.105 -0.264 0.000) 3.117 5.447 ( 0.128 -8.207 0.000) 8.208 5.453 ( 2.501 -5.531 0.000) 6.070 5.718 ( 1.825 16.763 0.000) 16.862 5.875 ( -0.792 9.892 0.000) 9.923 5.994 ( -0.927 -7.586 0.000) 7.642 6.009 ( -1.359 -3.826 0.000) 4.060 6.192 ( -0.381 7.327 0.000) 7.337 6.211 ( 1.007 0.701 0.000) 1.227 6.279 ( 2.453 -7.487 0.000) 7.879 6.451 ( -1.617 -13.699 0.000) 13.794 6.628 ( 0.824 1.002 0.000) 1.297 6.691 ( 1.124 -7.816 0.000) 7.896 6.892 ( -6.635 3.320 0.000) 7.419 6.974 ( -6.109 -4.909 0.000) 7.837 7.407 ( 0.028 3.034 0.000) 3.034 7.474 ( 0.924 -4.590 0.000) 4.682 7.588 ( -4.075 5.021 0.000) 6.467 7.676 ( -4.533 -3.407 0.000) 5.671 7.903 ( 1.750 3.421 0.000) 3.843 7.916 ( 1.116 7.284 0.000) 7.369 7.983 ( 2.405 -4.037 0.000) 4.699 8.065 ( 0.918 -7.488 0.000) 7.544 8.451 ( 3.824 8.377 0.000) 9.208 8.579 ( 3.888 -4.632 0.000) 6.047 8.763 ( -5.730 5.625 0.000) 8.030 8.841 ( -5.316 -2.230 0.000) 5.765 9.170 ( 3.583 8.206 0.000) 8.954 9.328 ( 4.543 -7.260 0.000) 8.564 9.333 ( -1.582 7.267 0.000) 7.437 9.451 ( -0.341 -4.119 0.000) 4.133 9.924 ( 2.419 3.327 0.000) 4.113 9.971 ( 4.708 -1.300 0.000) 4.884 10.108 ( 1.639 2.173 0.000) 2.722 10.160 ( 4.150 -3.369 0.000) 5.345 10.491 ( -3.218 3.639 0.000) 4.858 10.551 ( -1.687 -2.453 0.000) 2.977 10.686 ( -3.913 1.055 0.000) 4.053 10.711 ( -4.248 -1.547 0.000) 4.521 10.963 ( 0.448 0.023 0.000) 0.449 10.966 ( 0.143 -0.127 0.000) 0.191 11.107 ( -6.246 0.795 0.000) 6.297 11.120 ( -5.715 -0.418 0.000) 5.730 11.567 ( 2.997 12.095 0.000) 12.461 11.608 ( 0.900 17.574 0.000) 17.597 11.841 ( 5.877 -15.471 0.000) 16.549 12.005 ( -0.205 -21.648 0.000) 21.649 13.143 ( 0.620 7.995 0.000) 8.019 13.175 ( 0.098 3.507 0.000) 3.509 13.215 ( 0.902 -0.486 0.000) 1.024 13.264 ( -0.412 -3.905 0.000) 3.927======================= Grid point 17 (12/60) =======================q-point: ( 0.40 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 4.380 13.458 0.000) 14.153 1.592 ( -0.637 13.514 0.000) 13.529 1.710 ( -1.926 -0.344 0.000) 1.956 1.740 ( -6.033 0.662 0.000) 6.070 2.061 ( -1.593 1.276 0.000) 2.042 2.074 ( -3.225 2.491 0.000) 4.075 2.212 ( 1.382 -8.005 0.000) 8.123 2.224 ( 0.011 -10.746 0.000) 10.746 2.729 ( 7.185 2.069 0.000) 7.477 2.761 ( 11.056 -2.966 0.000) 11.447 2.843 ( -5.184 6.635 0.000) 8.420 2.966 ( -9.974 -5.836 0.000) 11.556 3.117 ( 3.887 14.184 0.000) 14.707 3.129 ( 0.863 8.849 0.000) 8.891 3.239 ( 3.752 7.599 0.000) 8.475 3.286 ( 2.122 -4.784 0.000) 5.233 3.341 ( -2.663 -7.374 0.000) 7.840 3.359 ( -1.572 5.400 0.000) 5.624 3.389 ( -1.537 0.968 0.000) 1.816 3.411 ( 1.020 -7.162 0.000) 7.234 3.524 ( 4.290 4.618 0.000) 6.303 3.612 ( -4.184 4.703 0.000) 6.295 3.672 ( -0.863 -9.761 0.000) 9.799 3.712 ( -4.299 -5.410 0.000) 6.910 3.897 ( 5.413 20.387 0.000) 21.093 3.974 ( 7.179 17.025 0.000) 18.477 4.004 ( 1.681 9.496 0.000) 9.643 4.135 ( -5.729 13.086 0.000) 14.285 4.235 ( 0.484 5.484 0.000) 5.505 4.289 ( -4.347 -5.555 0.000) 7.054 4.303 ( 3.273 2.939 0.000) 4.399 4.351 ( -0.421 0.561 0.000) 0.702 4.375 ( 0.012 -8.952 0.000) 8.952 4.438 ( 0.235 -11.208 0.000) 11.211 4.486 ( -4.623 -11.074 0.000) 12.000 4.587 ( -8.220 -19.256 0.000) 20.937 4.801 ( 1.751 1.210 0.000) 2.128 4.810 ( 1.172 3.257 0.000) 3.462 4.893 ( 3.380 -6.603 0.000) 7.418 4.951 ( -2.161 -8.931 0.000) 9.189 5.286 ( 1.207 6.175 0.000) 6.292 5.300 ( -1.074 3.659 0.000) 3.813 5.321 ( 4.287 8.317 0.000) 9.357 5.325 ( 1.163 1.691 0.000) 2.052 5.388 ( 0.927 -2.993 0.000) 3.133 5.439 ( 0.959 -0.861 0.000) 1.289 5.460 ( -0.947 -0.468 0.000) 1.056 5.467 ( 0.872 -5.772 0.000) 5.838 5.777 ( 4.172 8.989 0.000) 9.910 5.846 ( -2.702 6.131 0.000) 6.700 5.976 ( -0.630 -6.117 0.000) 6.150 5.981 ( -1.200 -4.937 0.000) 5.081 6.201 ( 1.350 7.111 0.000) 7.238 6.222 ( -0.311 2.879 0.000) 2.896 6.338 ( 3.678 -8.250 0.000) 9.033 6.405 ( -3.298 -10.306 0.000) 10.821 6.657 ( 2.741 1.364 0.000) 3.062 6.738 ( 4.133 -8.519 0.000) 9.469 6.749 ( -7.304 2.929 0.000) 7.869 6.844 ( -7.051 -6.932 0.000) 9.887 7.432 ( 2.662 3.834 0.000) 4.667 7.501 ( -4.636 4.667 0.000) 6.578 7.512 ( 3.330 -4.830 0.000) 5.867 7.589 ( -4.686 -4.297 0.000) 6.358 7.925 ( 0.747 5.295 0.000) 5.347 7.930 ( 0.265 6.841 0.000) 6.846 8.036 ( 2.679 -5.494 0.000) 6.112 8.069 ( -0.749 -6.911 0.000) 6.951 8.539 ( 5.393 8.273 0.000) 9.875 8.646 ( -6.260 7.113 0.000) 9.476 8.664 ( 4.808 -4.580 0.000) 6.640 8.750 ( -4.589 -3.742 0.000) 5.921 9.238 ( 3.455 9.485 0.000) 10.095 9.294 ( -2.563 8.719 0.000) 9.088 9.398 ( 2.887 -6.049 0.000) 6.702 9.437 ( -1.363 -5.124 0.000) 5.302 10.001 ( 5.619 5.441 0.000) 7.822 10.082 ( 6.876 -2.646 0.000) 7.368 10.099 ( -3.537 5.382 0.000) 6.441 10.189 ( -2.973 -3.708 0.000) 4.752 10.481 ( 3.715 2.441 0.000) 4.445 10.537 ( 1.510 -2.949 0.000) 3.313 10.588 ( -6.317 0.904 0.000) 6.381 10.613 ( -5.715 -1.738 0.000) 5.973 10.971 ( 0.827 0.367 0.000) 0.905 10.983 ( 1.702 -0.850 0.000) 1.903 11.008 ( -3.584 1.196 0.000) 3.778 11.032 ( -3.715 -1.183 0.000) 3.899 11.612 ( 1.536 14.358 0.000) 14.440 11.622 ( 0.312 16.280 0.000) 16.283 11.938 ( 4.156 -18.324 0.000) 18.789 11.990 ( -1.626 -20.340 0.000) 20.405 13.158 ( 0.894 6.365 0.000) 6.428 13.172 ( -0.506 4.535 0.000) 4.563 13.234 ( 1.115 -1.547 0.000) 1.907 13.253 ( -0.824 -2.877 0.000) 2.993======================= Grid point 35 (13/60) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( 0.000 0.000 22.589) 22.589 0.511 ( 0.000 0.000 26.571) 26.571 0.777 ( 0.000 0.000 40.444) 40.444 1.919 ( 0.000 0.000 4.333) 4.333 1.929 ( 0.000 0.000 0.246) 0.246 1.990 ( 0.000 0.000 3.249) 3.249 2.048 ( 0.000 0.000 0.162) 0.162 2.103 ( 0.000 0.000 2.883) 2.883 2.207 ( 0.000 0.000 -3.171) 3.171 2.321 ( 0.000 0.000 0.262) 0.262 2.592 ( 0.000 0.000 1.855) 1.855 2.869 ( 0.000 0.000 -6.143) 6.143 2.961 ( 0.000 0.000 3.328) 3.328 3.095 ( 0.000 0.000 -0.197) 0.197 3.234 ( 0.000 0.000 7.721) 7.721 3.239 ( 0.000 0.000 -8.142) 8.142 3.265 ( 0.000 0.000 1.327) 1.327 3.349 ( 0.000 0.000 -8.154) 8.154 3.552 ( 0.000 0.000 -4.031) 4.031 3.568 ( 0.000 0.000 2.821) 2.821 3.599 ( 0.000 0.000 -4.227) 4.227 3.632 ( 0.000 0.000 -0.138) 0.138 3.685 ( 0.000 0.000 0.543) 0.543 3.801 ( 0.000 0.000 2.519) 2.519 3.855 ( 0.000 0.000 1.452) 1.452 3.902 ( 0.000 0.000 -4.099) 4.099 3.979 ( 0.000 0.000 -0.770) 0.770 3.996 ( 0.000 0.000 -0.812) 0.812 4.022 ( 0.000 0.000 -0.767) 0.767 4.061 ( 0.000 0.000 -6.601) 6.601 4.156 ( 0.000 0.000 -0.826) 0.826 4.192 ( 0.000 0.000 -3.794) 3.794 4.408 ( 0.000 0.000 0.531) 0.531 4.417 ( 0.000 0.000 -2.637) 2.637 4.654 ( 0.000 0.000 -1.178) 1.178 4.698 ( 0.000 0.000 2.620) 2.620 4.886 ( 0.000 0.000 4.848) 4.848 4.895 ( 0.000 0.000 -1.323) 1.323 5.047 ( 0.000 0.000 -4.359) 4.359 5.094 ( 0.000 0.000 -3.844) 3.844 5.141 ( 0.000 0.000 -5.490) 5.490 5.189 ( 0.000 0.000 0.534) 0.534 5.203 ( 0.000 0.000 2.636) 2.636 5.317 ( 0.000 0.000 -0.293) 0.293 5.548 ( 0.000 0.000 -1.479) 1.479 5.562 ( 0.000 0.000 -0.840) 0.840 5.673 ( 0.000 0.000 -2.186) 2.186 5.748 ( 0.000 0.000 4.089) 4.089 5.881 ( 0.000 0.000 -5.529) 5.529 5.892 ( 0.000 0.000 -1.907) 1.907 5.951 ( 0.000 0.000 1.633) 1.633 6.085 ( 0.000 0.000 -0.705) 0.705 6.212 ( 0.000 0.000 1.834) 1.834 6.285 ( 0.000 0.000 4.135) 4.135 6.305 ( 0.000 0.000 0.443) 0.443 6.437 ( 0.000 0.000 -1.239) 1.239 6.523 ( 0.000 0.000 -5.961) 5.961 6.635 ( 0.000 0.000 -2.884) 2.884 7.032 ( 0.000 0.000 0.536) 0.536 7.060 ( 0.000 0.000 -0.673) 0.673 7.165 ( 0.000 0.000 -2.015) 2.015 7.640 ( 0.000 0.000 -3.976) 3.976 7.657 ( 0.000 0.000 -6.154) 6.154 7.823 ( 0.000 0.000 1.896) 1.896 7.856 ( 0.000 0.000 -1.358) 1.358 7.864 ( 0.000 0.000 -0.608) 0.608 7.925 ( 0.000 0.000 4.294) 4.294 7.941 ( 0.000 0.000 7.064) 7.064 8.225 ( 0.000 0.000 -1.129) 1.129 8.360 ( 0.000 0.000 0.913) 0.913 8.780 ( 0.000 0.000 -1.193) 1.193 8.938 ( 0.000 0.000 -10.073) 10.073 8.979 ( 0.000 0.000 1.465) 1.465 9.259 ( 0.000 0.000 1.261) 1.261 9.391 ( 0.000 0.000 0.188) 0.188 9.404 ( 0.000 0.000 0.106) 0.106 9.682 ( 0.000 0.000 1.449) 1.449 9.683 ( 0.000 0.000 1.832) 1.832 9.876 ( 0.000 0.000 0.684) 0.684 10.121 ( 0.000 0.000 1.316) 1.316 10.185 ( 0.000 0.000 -0.920) 0.920 10.386 ( 0.000 0.000 -3.437) 3.437 10.588 ( 0.000 0.000 -0.171) 0.171 10.639 ( 0.000 0.000 0.202) 0.202 10.805 ( 0.000 0.000 2.897) 2.897 10.939 ( 0.000 0.000 -1.177) 1.177 11.160 ( 0.000 0.000 -3.222) 3.222 11.175 ( 0.000 0.000 3.265) 3.265 11.201 ( 0.000 0.000 1.763) 1.763 11.601 ( 0.000 0.000 24.058) 24.058 12.502 ( 0.000 0.000 2.995) 2.995 12.690 ( 0.000 0.000 -9.390) 9.390 12.757 ( 0.000 0.000 0.571) 0.571 13.146 ( 0.000 0.000 1.015) 1.015 13.254 ( 0.000 0.000 -1.132) 1.132 13.690 ( 0.000 0.000 -4.700) 4.700======================= Grid point 36 (14/60) =======================q-point: ( 0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 16.015 0.000 18.031) 24.117 0.690 ( 16.676 0.000 19.286) 25.496 1.028 ( 25.485 0.000 26.378) 36.678 1.667 ( -17.757 0.000 5.704) 18.651 1.774 ( -15.885 0.000 3.772) 16.327 1.982 ( 0.721 0.000 1.718) 1.863 2.062 ( -1.677 0.000 2.425) 2.948 2.162 ( -0.055 0.000 -3.023) 3.024 2.309 ( 12.882 0.000 0.240) 12.884 2.464 ( 10.230 0.000 -1.295) 10.312 2.632 ( 3.063 0.000 1.925) 3.618 2.830 ( -3.421 0.000 -4.831) 5.920 3.005 ( 3.832 0.000 2.558) 4.608 3.106 ( 1.152 0.000 0.072) 1.154 3.161 ( -6.308 0.000 -7.685) 9.942 3.204 ( -2.059 0.000 5.835) 6.188 3.287 ( -5.882 0.000 -9.988) 11.591 3.295 ( 1.897 0.000 2.649) 3.258 3.437 ( -4.993 0.000 0.833) 5.062 3.472 ( -6.726 0.000 -1.970) 7.009 3.567 ( -4.562 0.000 0.290) 4.571 3.638 ( -1.842 0.000 3.393) 3.860 3.708 ( -6.690 0.000 -7.812) 10.285 3.763 ( 1.706 0.000 0.660) 1.830 3.812 ( -3.415 0.000 -0.879) 3.526 3.898 ( 5.873 0.000 0.369) 5.885 3.978 ( 2.241 0.000 -1.311) 2.596 4.023 ( -0.732 0.000 -0.283) 0.784 4.047 ( 1.360 0.000 -4.941) 5.125 4.118 ( 3.101 0.000 3.789) 4.896 4.205 ( 3.504 0.000 -3.615) 5.035 4.256 ( 2.581 0.000 0.396) 2.611 4.371 ( -2.113 0.000 -0.094) 2.115 4.432 ( -0.129 0.000 -1.485) 1.491 4.692 ( 4.194 0.000 -2.170) 4.723 4.723 ( 3.216 0.000 0.010) 3.217 4.882 ( -0.270 0.000 1.606) 1.629 4.909 ( 1.438 0.000 -1.381) 1.994 4.980 ( -4.584 0.000 -1.582) 4.849 5.055 ( -3.078 0.000 -2.501) 3.966 5.085 ( -2.794 0.000 4.698) 5.467 5.191 ( 2.207 0.000 -2.678) 3.470 5.259 ( 4.910 0.000 1.283) 5.075 5.319 ( -2.650 0.000 -0.779) 2.762 5.461 ( -4.899 0.000 -3.362) 5.942 5.621 ( -5.252 0.000 -1.615) 5.495 5.647 ( 2.115 0.000 -8.302) 8.567 5.766 ( -1.517 0.000 4.639) 4.881 5.812 ( -0.920 0.000 -3.842) 3.951 5.955 ( 0.810 0.000 1.617) 1.809 6.074 ( -1.414 0.000 -0.050) 1.415 6.082 ( 8.717 0.000 0.342) 8.723 6.224 ( -0.328 0.000 -5.782) 5.791 6.236 ( 2.276 0.000 1.026) 2.497 6.307 ( 0.043 0.000 0.344) 0.347 6.456 ( 2.048 0.000 -1.330) 2.442 6.528 ( -0.292 0.000 -5.998) 6.005 6.617 ( -1.918 0.000 -2.649) 3.271 7.029 ( 0.466 0.000 -1.268) 1.351 7.070 ( 4.110 0.000 0.150) 4.112 7.188 ( -0.720 0.000 -3.413) 3.488 7.546 ( -9.232 0.000 -3.557) 9.894 7.683 ( 2.698 0.000 -4.353) 5.122 7.787 ( -1.046 0.000 1.630) 1.936 7.819 ( -1.118 0.000 3.920) 4.076 7.834 ( -0.966 0.000 3.186) 3.330 8.020 ( 3.422 0.000 2.252) 4.097 8.060 ( 8.611 0.000 0.692) 8.638 8.218 ( -2.746 0.000 1.762) 3.263 8.345 ( -1.660 0.000 0.794) 1.840 8.649 ( -3.574 0.000 -1.779) 3.992 8.934 ( -0.643 0.000 -4.969) 5.011 8.955 ( -1.581 0.000 0.572) 1.682 9.219 ( -4.126 0.000 1.908) 4.546 9.392 ( 0.104 0.000 0.195) 0.221 9.402 ( -0.143 0.000 0.131) 0.194 9.682 ( 0.012 0.000 1.497) 1.497 9.684 ( 0.015 0.000 1.746) 1.746 9.929 ( 5.590 0.000 0.184) 5.593 10.160 ( 5.843 0.000 -0.359) 5.854 10.329 ( -3.988 0.000 -2.874) 4.916 10.498 ( 9.509 0.000 -7.765) 12.276 10.627 ( -1.295 0.000 0.881) 1.566 10.692 ( 7.191 0.000 -3.312) 7.917 10.735 ( -0.006 0.000 1.349) 1.349 10.959 ( 2.160 0.000 -1.375) 2.560 11.138 ( -2.257 0.000 -3.031) 3.779 11.176 ( -2.195 0.000 3.840) 4.423 11.184 ( 0.953 0.000 3.295) 3.430 11.492 ( -8.724 0.000 21.865) 23.541 12.515 ( 1.315 0.000 2.865) 3.152 12.661 ( -3.124 0.000 -1.798) 3.604 12.870 ( 9.940 0.000 -6.145) 11.686 13.150 ( 0.405 0.000 0.890) 0.978 13.255 ( 0.152 0.000 -1.491) 1.499 13.556 ( -9.771 0.000 1.630) 9.906======================= Grid point 37 (15/60) =======================q-point: ( 0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 17.415 0.000 14.507) 22.666 1.047 ( 20.792 0.000 11.791) 23.902 1.294 ( -16.322 0.000 9.973) 19.127 1.431 ( -20.243 0.000 7.285) 21.514 1.595 ( 26.452 0.000 10.979) 28.640 2.005 ( 1.535 0.000 1.513) 2.155 2.021 ( -16.172 0.000 2.865) 16.424 2.034 ( -1.505 0.000 1.888) 2.414 2.545 ( 10.880 0.000 -0.623) 10.898 2.633 ( 7.764 0.000 -3.205) 8.399 2.664 ( -1.257 0.000 1.069) 1.650 2.751 ( -5.169 0.000 -4.213) 6.668 3.079 ( 3.591 0.000 3.384) 4.934 3.081 ( -0.995 0.000 -10.678) 10.724 3.124 ( -0.638 0.000 2.512) 2.592 3.147 ( -7.449 0.000 -11.643) 13.822 3.189 ( 2.188 0.000 2.686) 3.464 3.275 ( -5.084 0.000 1.185) 5.220 3.409 ( 2.695 0.000 0.866) 2.830 3.410 ( 1.792 0.000 0.821) 1.972 3.479 ( -4.696 0.000 0.665) 4.743 3.527 ( -9.151 0.000 -0.871) 9.192 3.651 ( 2.530 0.000 1.477) 2.929 3.717 ( -4.313 0.000 -1.328) 4.512 3.885 ( 6.108 0.000 -2.376) 6.554 3.956 ( 1.756 0.000 -1.117) 2.081 3.975 ( -2.919 0.000 -0.154) 2.923 3.992 ( -2.073 0.000 -1.101) 2.347 4.139 ( 6.409 0.000 -3.376) 7.244 4.175 ( 3.794 0.000 5.163) 6.407 4.228 ( -2.203 0.000 -4.714) 5.203 4.245 ( -2.966 0.000 5.585) 6.323 4.361 ( 1.749 0.000 0.018) 1.749 4.408 ( -2.339 0.000 -1.226) 2.641 4.754 ( 2.792 0.000 -3.225) 4.266 4.828 ( -0.733 0.000 -3.050) 3.137 4.838 ( 2.916 0.000 -3.980) 4.934 4.922 ( -1.636 0.000 -0.659) 1.763 4.946 ( 2.497 0.000 -1.539) 2.933 4.998 ( -3.042 0.000 -1.826) 3.548 5.122 ( 4.686 0.000 2.335) 5.235 5.198 ( -2.272 0.000 -0.118) 2.275 5.264 ( -0.732 0.000 -2.943) 3.032 5.338 ( -7.085 0.000 -0.510) 7.103 5.367 ( 6.709 0.000 0.424) 6.722 5.500 ( -7.326 0.000 -0.487) 7.342 5.675 ( 0.762 0.000 -7.461) 7.500 5.694 ( -2.275 0.000 -3.997) 4.599 5.898 ( 6.713 0.000 4.035) 7.832 5.986 ( 2.393 0.000 1.321) 2.733 6.030 ( -7.010 0.000 6.673) 9.678 6.035 ( -2.653 0.000 0.796) 2.770 6.278 ( 1.914 0.000 0.260) 1.932 6.302 ( -0.677 0.000 0.173) 0.698 6.374 ( 9.072 0.000 -12.588) 15.516 6.494 ( -3.879 0.000 -8.184) 9.057 6.507 ( 3.248 0.000 -1.617) 3.628 6.568 ( -3.160 0.000 -2.117) 3.803 7.074 ( 3.619 0.000 -2.674) 4.500 7.143 ( -3.501 0.000 -3.087) 4.668 7.183 ( 7.951 0.000 -0.854) 7.996 7.356 ( -10.405 0.000 -2.131) 10.621 7.745 ( 3.608 0.000 -1.165) 3.791 7.792 ( 0.968 0.000 2.088) 2.301 7.798 ( -1.799 0.000 2.407) 3.005 7.813 ( -1.228 0.000 2.712) 2.977 8.065 ( 2.424 0.000 3.533) 4.284 8.132 ( -4.901 0.000 4.920) 6.945 8.201 ( 6.436 0.000 0.294) 6.442 8.296 ( -3.817 0.000 0.508) 3.851 8.695 ( 6.097 0.000 -7.882) 9.965 8.824 ( -7.276 0.000 -9.453) 11.929 9.022 ( 5.199 0.000 5.216) 7.364 9.125 ( -5.651 0.000 3.715) 6.762 9.395 ( 0.188 0.000 0.199) 0.273 9.399 ( -0.212 0.000 0.176) 0.275 9.683 ( 0.048 0.000 1.546) 1.547 9.683 ( -0.031 0.000 1.634) 1.634 10.058 ( 7.827 0.000 -1.025) 7.894 10.198 ( -6.311 0.000 -1.921) 6.597 10.330 ( 8.690 0.000 0.141) 8.691 10.511 ( -9.147 0.000 1.116) 9.215 10.588 ( 1.648 0.000 -1.202) 2.040 10.624 ( -2.095 0.000 -2.423) 3.203 10.977 ( 11.429 0.000 0.809) 11.458 11.014 ( 3.550 0.000 -1.891) 4.023 11.082 ( -3.610 0.000 -2.524) 4.405 11.118 ( -4.472 0.000 4.597) 6.413 11.222 ( 3.579 0.000 5.288) 6.385 11.332 ( -8.029 0.000 12.406) 14.777 12.549 ( 2.382 0.000 2.433) 3.405 12.601 ( -3.144 0.000 1.307) 3.405 13.049 ( 8.188 0.000 -4.818) 9.501 13.143 ( -2.064 0.000 -1.245) 2.411 13.277 ( 3.219 0.000 -0.477) 3.255 13.388 ( -8.188 0.000 0.946) 8.243======================= Grid point 40 (16/60) =======================q-point: ( 0.00 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 0.000 19.060 14.405) 23.891 0.678 ( 0.000 18.200 16.119) 24.312 1.320 ( 0.000 40.718 23.859) 47.193 1.940 ( 0.000 2.954 2.652) 3.970 2.025 ( 0.000 5.734 1.441) 5.912 2.031 ( 0.000 -0.923 0.677) 1.144 2.109 ( 0.000 8.147 2.823) 8.622 2.167 ( 0.000 -2.320 -0.860) 2.474 2.283 ( 0.000 20.858 3.084) 21.085 2.446 ( 0.000 10.402 -1.198) 10.471 2.510 ( 0.000 -7.025 2.595) 7.489 2.929 ( 0.000 -5.136 -5.040) 7.195 2.997 ( 0.000 3.412 3.055) 4.580 3.038 ( 0.000 1.427 -3.410) 3.696 3.219 ( 0.000 -1.551 -2.011) 2.540 3.228 ( 0.000 -5.858 -0.920) 5.929 3.262 ( 0.000 3.175 5.322) 6.197 3.366 ( 0.000 2.410 -6.594) 7.021 3.416 ( 0.000 -4.543 1.232) 4.708 3.528 ( 0.000 -5.235 -2.517) 5.808 3.541 ( 0.000 -1.912 0.522) 1.982 3.596 ( 0.000 -5.916 -2.407) 6.387 3.634 ( 0.000 0.297 2.002) 2.024 3.796 ( 0.000 -1.673 3.518) 3.895 3.831 ( 0.000 -2.690 3.252) 4.220 3.851 ( 0.000 -6.666 -7.740) 10.215 3.870 ( 0.000 -2.231 -2.507) 3.356 3.994 ( 0.000 9.286 0.050) 9.286 4.042 ( 0.000 -1.284 -1.204) 1.760 4.061 ( 0.000 -0.214 -1.048) 1.070 4.213 ( 0.000 4.820 0.370) 4.834 4.317 ( 0.000 6.906 -5.237) 8.667 4.497 ( 0.000 8.425 3.900) 9.284 4.617 ( 0.000 11.941 -5.788) 13.269 4.635 ( 0.000 -0.415 -3.199) 3.225 4.676 ( 0.000 -1.852 2.537) 3.141 4.857 ( 0.000 -3.238 4.799) 5.790 4.914 ( 0.000 1.400 -1.225) 1.861 4.960 ( 0.000 -4.397 -0.724) 4.456 5.063 ( 0.000 -1.108 -3.901) 4.055 5.118 ( 0.000 -3.153 -4.623) 5.596 5.146 ( 0.000 1.543 2.326) 2.792 5.224 ( 0.000 0.937 0.176) 0.953 5.373 ( 0.000 4.218 1.354) 4.430 5.495 ( 0.000 -2.806 -0.962) 2.966 5.498 ( 0.000 -10.033 7.089) 12.285 5.564 ( 0.000 -5.841 -0.478) 5.860 5.676 ( 0.000 -10.881 -3.257) 11.358 5.805 ( 0.000 -6.872 -3.584) 7.751 5.823 ( 0.000 -1.923 2.405) 3.080 6.041 ( 0.000 -0.118 -1.313) 1.319 6.061 ( 0.000 3.702 1.151) 3.877 6.113 ( 0.000 1.618 0.624) 1.735 6.257 ( 0.000 -3.673 -0.144) 3.676 6.431 ( 0.000 -0.652 -1.729) 1.847 6.510 ( 0.000 2.178 -9.091) 9.348 6.552 ( 0.000 1.944 -3.647) 4.133 6.914 ( 0.000 9.026 -0.547) 9.042 7.035 ( 0.000 0.855 -0.628) 1.061 7.152 ( 0.000 -1.434 -2.102) 2.545 7.155 ( 0.000 8.120 -1.978) 8.357 7.620 ( 0.000 -1.712 -2.902) 3.369 7.701 ( 0.000 4.054 -6.179) 7.390 7.739 ( 0.000 -7.306 -3.103) 7.938 7.784 ( 0.000 -6.202 -1.491) 6.379 7.823 ( 0.000 -1.364 3.566) 3.818 7.874 ( 0.000 0.783 -0.713) 1.059 8.206 ( 0.000 -1.877 -2.207) 2.897 8.311 ( 0.000 15.256 -13.364) 20.282 8.344 ( 0.000 -1.522 2.690) 3.091 8.689 ( 0.000 -4.250 -0.362) 4.266 8.885 ( 0.000 -3.788 -7.864) 8.729 8.963 ( 0.000 1.200 3.317) 3.528 9.211 ( 0.000 -1.187 0.946) 1.518 9.436 ( 0.000 1.208 -0.410) 1.276 9.467 ( 0.000 3.654 1.677) 4.020 9.762 ( 0.000 6.493 1.704) 6.713 9.877 ( 0.000 1.725 -0.032) 1.726 10.096 ( 0.000 2.275 -1.693) 2.835 10.183 ( 0.000 -0.595 -0.724) 0.937 10.257 ( 0.000 27.022 -22.199) 34.971 10.400 ( 0.000 1.487 -2.989) 3.339 10.593 ( 0.000 0.671 -0.559) 0.873 10.685 ( 0.000 4.079 1.688) 4.415 10.814 ( 0.000 1.181 0.516) 1.288 10.911 ( 0.000 -2.443 -1.294) 2.764 11.116 ( 0.000 -1.911 -5.909) 6.211 11.186 ( 0.000 1.029 3.865) 3.999 11.280 ( 0.000 5.453 4.264) 6.922 11.588 ( 0.000 -1.121 22.586) 22.614 12.462 ( 0.000 -8.843 4.277) 9.823 12.605 ( 0.000 -6.281 -8.493) 10.564 12.810 ( 0.000 5.318 0.549) 5.347 13.162 ( 0.000 1.550 1.037) 1.864 13.240 ( 0.000 -5.250 5.070) 7.298 13.345 ( 0.000 -13.035 8.720) 15.683======================= Grid point 41 (17/60) =======================q-point: ( 0.20 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( 12.567 13.114 14.580) 23.292 0.840 ( 14.881 14.906 12.265) 24.374 1.471 ( 14.946 35.476 18.547) 42.731 1.702 ( -16.114 3.995 5.318) 17.433 1.922 ( -17.237 6.963 2.640) 18.777 2.021 ( 0.340 4.746 0.457) 4.780 2.078 ( -1.714 5.551 2.887) 6.487 2.279 ( 10.703 3.496 0.327) 11.265 2.321 ( 3.748 7.925 -0.426) 8.777 2.538 ( 3.538 -5.420 1.341) 6.610 2.602 ( 9.990 11.030 -1.397) 14.947 2.916 ( -1.309 0.100 -4.202) 4.403 3.008 ( -0.215 -2.409 -0.924) 2.589 3.050 ( 2.428 3.770 -0.596) 4.524 3.197 ( -1.815 0.385 -1.704) 2.519 3.214 ( -1.244 -1.052 1.224) 2.038 3.236 ( -3.832 -2.121 -1.433) 4.609 3.313 ( -2.486 2.073 -0.110) 3.239 3.401 ( -2.757 0.060 -2.649) 3.824 3.478 ( -5.946 -6.113 -0.126) 8.529 3.496 ( -4.526 -0.611 -1.793) 4.906 3.577 ( -1.819 -3.822 -0.425) 4.254 3.627 ( -0.200 -3.527 -1.876) 4.000 3.709 ( -1.205 -4.618 3.093) 5.688 3.827 ( -2.170 -0.503 -4.180) 4.736 3.928 ( -1.509 0.340 -0.406) 1.600 3.936 ( 2.104 -3.291 -0.100) 3.908 3.961 ( 7.302 1.798 -0.515) 7.538 4.063 ( 0.426 1.380 -0.874) 1.688 4.115 ( 2.769 -3.369 1.626) 4.654 4.168 ( -1.812 1.172 0.404) 2.196 4.359 ( 2.175 7.567 -3.907) 8.789 4.489 ( -0.614 8.806 2.135) 9.082 4.592 ( -2.159 10.611 -2.779) 11.179 4.667 ( 3.241 -1.335 -3.859) 5.213 4.710 ( 2.866 -2.167 0.031) 3.593 4.844 ( -0.788 -2.889 2.426) 3.854 4.915 ( 0.166 0.712 -2.075) 2.201 4.977 ( 1.349 -0.166 -1.515) 2.035 5.049 ( -2.070 0.245 -2.458) 3.222 5.084 ( -1.109 1.025 1.744) 2.307 5.165 ( 2.257 -2.360 -2.190) 3.931 5.235 ( 0.066 -0.226 -0.093) 0.253 5.380 ( -1.886 2.369 -0.842) 3.142 5.445 ( -2.333 -1.787 -1.332) 3.226 5.514 ( 0.410 -2.249 -0.390) 2.319 5.539 ( 0.923 -13.358 5.643) 14.531 5.722 ( -1.881 -7.086 -4.008) 8.355 5.838 ( 2.543 0.113 -0.208) 2.554 5.872 ( 6.328 -12.148 -0.584) 13.710 5.991 ( -3.417 3.335 0.584) 4.810 6.057 ( -0.640 -0.301 0.090) 0.713 6.120 ( 1.068 1.795 1.044) 2.335 6.255 ( -0.331 -4.058 -0.655) 4.124 6.449 ( 1.907 -0.803 -1.803) 2.744 6.513 ( 0.199 2.420 -7.708) 8.081 6.544 ( -0.759 2.835 -4.089) 5.034 6.787 ( -10.665 9.099 -2.179) 14.187 7.051 ( 1.682 1.447 -1.159) 2.504 7.110 ( 0.878 1.427 0.533) 1.759 7.204 ( 0.800 3.147 -2.516) 4.108 7.554 ( -9.603 -1.445 -2.154) 9.947 7.648 ( 1.752 -0.226 -2.540) 3.094 7.744 ( -1.101 -0.822 -2.037) 2.457 7.808 ( 1.654 -6.578 -1.854) 7.032 7.891 ( 5.492 1.670 2.915) 6.438 7.903 ( 1.323 -3.451 -3.653) 5.196 8.189 ( -0.139 -0.199 -1.661) 1.679 8.305 ( -2.895 11.804 -4.823) 13.076 8.347 ( -0.788 1.249 3.183) 3.509 8.624 ( -1.539 -1.372 -1.955) 2.841 8.870 ( -2.131 -4.390 -7.125) 8.635 8.959 ( 0.767 1.603 4.294) 4.647 9.175 ( -3.578 -0.976 1.752) 4.102 9.434 ( 0.045 1.770 -0.420) 1.820 9.465 ( -0.408 3.564 0.711) 3.657 9.754 ( -0.494 5.887 1.974) 6.229 9.870 ( -7.460 11.783 -2.309) 14.136 9.949 ( 4.268 2.155 0.287) 4.790 10.221 ( 5.181 4.649 -1.286) 7.079 10.329 ( -3.277 0.297 -2.841) 4.347 10.514 ( 5.531 1.608 -6.937) 9.016 10.660 ( -2.745 2.579 2.425) 4.480 10.722 ( 13.793 2.232 -5.583) 15.047 10.732 ( -6.952 1.146 -0.006) 7.046 10.943 ( 2.651 -1.301 -1.740) 3.427 11.089 ( -2.349 -2.643 -4.129) 5.436 11.208 ( 1.248 2.776 4.369) 5.325 11.244 ( -2.752 4.015 4.980) 6.964 11.490 ( -7.854 0.149 19.217) 20.761 12.496 ( 2.386 -4.912 3.726) 6.611 12.619 ( -0.303 -6.138 -4.242) 7.468 12.860 ( 6.248 1.733 -2.629) 6.996 13.162 ( -0.138 0.601 1.325) 1.461 13.245 ( 0.034 -3.089 0.997) 3.246 13.337 ( -1.433 -10.730 5.511) 12.147======================= Grid point 42 (18/60) =======================q-point: ( 0.40 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.063 ( 15.858 10.139 11.671) 22.147 1.164 ( 18.028 8.435 9.960) 22.256 1.392 ( -15.066 8.720 7.407) 18.918 1.562 ( -19.738 8.523 5.664) 22.233 1.804 ( 15.858 19.060 9.193) 26.444 1.986 ( -4.628 5.022 2.145) 7.158 2.104 ( 5.264 9.395 2.891) 11.150 2.257 ( -7.904 14.838 2.186) 16.953 2.500 ( 8.691 -4.331 -1.139) 9.777 2.584 ( -0.181 -5.893 0.165) 5.898 2.763 ( 7.537 10.863 -3.960) 13.801 2.878 ( -3.842 9.206 -3.182) 10.470 3.006 ( 2.167 -3.657 -5.798) 7.189 3.110 ( -6.600 -1.425 -5.270) 8.565 3.126 ( 3.262 3.579 -0.554) 4.874 3.178 ( -1.209 2.884 -0.280) 3.140 3.199 ( 0.355 -0.101 3.005) 3.027 3.256 ( -4.588 -1.335 0.876) 4.858 3.339 ( -0.168 -3.397 2.155) 4.027 3.390 ( -3.543 -3.152 -0.545) 4.774 3.456 ( -0.037 -2.035 -1.920) 2.798 3.506 ( -4.918 -3.021 -2.574) 6.320 3.635 ( 3.692 1.675 0.961) 4.167 3.730 ( -5.519 1.982 -1.706) 6.107 3.788 ( 5.219 -6.329 -0.138) 8.205 3.882 ( -3.795 -5.725 1.427) 7.015 3.995 ( 3.217 0.750 -1.692) 3.712 4.042 ( -1.349 3.367 -0.478) 3.658 4.060 ( 2.288 -2.468 0.665) 3.430 4.103 ( -2.075 -7.953 2.354) 8.550 4.229 ( 6.298 2.083 0.494) 6.652 4.339 ( -4.415 5.171 -0.702) 6.836 4.504 ( 2.286 10.093 -1.681) 10.484 4.551 ( -2.423 9.989 -1.536) 10.393 4.729 ( 2.415 -5.812 -4.484) 7.727 4.743 ( 0.603 -5.740 -2.551) 6.311 4.851 ( 1.727 1.407 -0.383) 2.260 4.898 ( -2.625 4.660 -2.151) 5.764 4.992 ( 2.022 2.207 -1.832) 3.509 5.028 ( -0.796 0.638 -2.457) 2.660 5.127 ( 4.349 1.071 1.536) 4.735 5.196 ( -1.759 -0.042 -0.719) 1.901 5.214 ( 1.121 -3.053 -1.337) 3.517 5.292 ( -5.991 -1.808 -0.497) 6.278 5.442 ( 1.997 0.098 -0.624) 2.095 5.493 ( -3.046 -2.042 0.940) 3.786 5.591 ( 4.518 -7.415 -1.408) 8.797 5.675 ( -3.870 -6.364 -2.446) 7.839 5.852 ( 1.422 1.787 2.095) 3.099 5.893 ( -2.476 -3.051 2.311) 4.558 6.013 ( 2.402 -3.976 0.273) 4.653 6.039 ( -1.071 -1.399 0.619) 1.867 6.173 ( 4.366 -2.645 -0.875) 5.179 6.237 ( -2.042 -4.750 -1.283) 5.327 6.488 ( 1.745 0.186 -2.213) 2.825 6.510 ( -0.756 0.702 -3.608) 3.753 6.544 ( 1.966 4.754 -6.131) 8.003 6.623 ( -6.420 4.398 -4.055) 8.775 7.091 ( 2.445 0.259 -1.404) 2.832 7.127 ( -0.715 -2.155 -0.820) 2.414 7.239 ( 4.726 4.661 -1.145) 6.736 7.374 ( -9.112 1.048 -1.137) 9.242 7.690 ( 2.254 -0.675 -1.113) 2.603 7.722 ( -1.290 -0.560 -0.724) 1.581 7.841 ( 2.151 -5.844 -2.654) 6.769 7.887 ( -2.386 -4.216 -3.973) 6.265 8.005 ( 6.772 2.824 3.255) 8.027 8.138 ( -6.978 3.117 1.070) 7.717 8.274 ( 2.228 6.437 2.774) 7.355 8.320 ( -2.016 1.663 2.735) 3.782 8.683 ( 5.771 -0.851 -7.060) 9.158 8.793 ( -5.613 -2.370 -7.839) 9.928 9.009 ( 4.113 0.430 4.488) 6.103 9.094 ( -4.789 -0.509 3.248) 5.809 9.440 ( 0.560 2.753 -0.460) 2.847 9.453 ( -0.776 3.557 -0.134) 3.643 9.753 ( 0.501 6.053 1.754) 6.322 9.779 ( -2.639 8.434 0.687) 8.864 10.074 ( 7.765 1.270 -1.201) 7.959 10.214 ( -6.790 1.017 -2.081) 7.174 10.367 ( 8.384 3.312 -0.323) 9.020 10.531 ( -7.934 1.745 0.226) 8.127 10.589 ( 1.648 -0.011 -0.265) 1.669 10.640 ( -3.132 1.263 -1.616) 3.744 10.946 ( 7.969 -2.300 -0.135) 8.295 11.002 ( 2.977 -0.868 -1.057) 3.276 11.048 ( -0.143 -2.369 -2.375) 3.358 11.149 ( -5.858 1.895 5.985) 8.587 11.265 ( 3.304 3.796 4.527) 6.769 11.353 ( -6.356 2.765 10.194) 12.327 12.540 ( 2.488 -2.762 2.856) 4.688 12.587 ( -2.491 -3.181 1.038) 4.171 13.007 ( 8.279 -3.108 -3.586) 9.542 13.130 ( -4.228 -2.644 -0.891) 5.066 13.252 ( 1.272 -1.752 0.297) 2.185 13.292 ( -2.817 -4.502 1.880) 5.634======================= Grid point 45 (19/60) =======================q-point: ( 0.00 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 0.000 22.508 8.196) 23.954 1.109 ( 0.000 23.684 5.717) 24.364 2.002 ( 0.000 -0.944 4.381) 4.482 2.014 ( 0.000 3.721 0.765) 3.799 2.126 ( 0.000 1.264 0.936) 1.573 2.149 ( 0.000 35.203 10.443) 36.719 2.162 ( 0.000 6.476 1.350) 6.616 2.205 ( 0.000 1.542 4.037) 4.322 2.365 ( 0.000 -6.696 3.950) 7.774 2.603 ( 0.000 -7.925 -4.001) 8.878 2.737 ( 0.000 3.293 0.341) 3.310 2.784 ( 0.000 23.900 0.759) 23.913 2.975 ( 0.000 -8.230 -1.281) 8.329 3.085 ( 0.000 3.392 0.158) 3.396 3.109 ( 0.000 0.225 1.315) 1.334 3.217 ( 0.000 -0.116 2.836) 2.838 3.334 ( 0.000 1.079 -2.782) 2.984 3.403 ( 0.000 -0.026 -5.756) 5.756 3.470 ( 0.000 2.571 -1.912) 3.205 3.485 ( 0.000 -3.979 -0.406) 4.000 3.489 ( 0.000 0.620 -2.351) 2.431 3.584 ( 0.000 11.245 -1.545) 11.351 3.632 ( 0.000 -0.900 0.776) 1.189 3.712 ( 0.000 -3.262 2.877) 4.350 3.746 ( 0.000 -3.977 -10.118) 10.871 3.839 ( 0.000 0.316 1.023) 1.071 3.857 ( 0.000 -0.713 -2.265) 2.374 3.980 ( 0.000 -0.917 1.429) 1.699 4.115 ( 0.000 4.010 -1.117) 4.163 4.184 ( 0.000 9.497 -3.325) 10.062 4.347 ( 0.000 8.891 -2.829) 9.330 4.411 ( 0.000 2.930 -4.763) 5.592 4.557 ( 0.000 -0.145 0.249) 0.288 4.618 ( 0.000 -3.818 3.134) 4.939 4.715 ( 0.000 -10.872 2.965) 11.269 4.768 ( 0.000 1.318 -0.662) 1.475 4.776 ( 0.000 10.471 -1.929) 10.647 4.849 ( 0.000 -13.566 2.581) 13.810 4.857 ( 0.000 -4.024 -0.063) 4.024 5.007 ( 0.000 -3.152 -1.440) 3.466 5.114 ( 0.000 4.621 -3.826) 6.000 5.194 ( 0.000 -4.288 5.941) 7.327 5.287 ( 0.000 -1.262 -0.434) 1.334 5.298 ( 0.000 12.430 -1.375) 12.506 5.419 ( 0.000 -3.358 -1.328) 3.611 5.472 ( 0.000 -5.550 -1.349) 5.712 5.506 ( 0.000 -5.385 -0.325) 5.395 5.565 ( 0.000 2.942 2.299) 3.734 5.674 ( 0.000 -10.140 7.668) 12.713 5.679 ( 0.000 0.861 -1.776) 1.974 6.047 ( 0.000 -0.984 -2.289) 2.492 6.068 ( 0.000 -1.857 -0.551) 1.937 6.166 ( 0.000 2.765 -1.144) 2.992 6.197 ( 0.000 -1.909 1.218) 2.265 6.386 ( 0.000 -5.013 -2.314) 5.521 6.529 ( 0.000 0.166 -6.860) 6.862 6.579 ( 0.000 0.808 -2.226) 2.368 6.932 ( 0.000 -6.930 -0.521) 6.950 6.976 ( 0.000 -6.393 3.854) 7.465 7.101 ( 0.000 -3.791 -2.209) 4.388 7.311 ( 0.000 6.755 -1.646) 6.953 7.558 ( 0.000 -0.277 -0.789) 0.836 7.592 ( 0.000 -9.145 -0.937) 9.193 7.718 ( 0.000 4.392 -4.233) 6.100 7.769 ( 0.000 -0.434 -4.424) 4.446 7.826 ( 0.000 1.117 -0.021) 1.117 7.900 ( 0.000 1.113 -6.288) 6.386 8.145 ( 0.000 -4.745 -3.432) 5.856 8.336 ( 0.000 1.995 4.728) 5.131 8.478 ( 0.000 3.143 -9.473) 9.981 8.674 ( 0.000 2.544 -2.523) 3.583 8.839 ( 0.000 -0.836 -6.620) 6.673 9.030 ( 0.000 5.123 1.430) 5.319 9.256 ( 0.000 5.459 2.181) 5.878 9.405 ( 0.000 -4.165 -0.298) 4.175 9.524 ( 0.000 1.499 2.841) 3.212 9.879 ( 0.000 4.511 2.181) 5.011 9.909 ( 0.000 1.439 0.665) 1.585 10.094 ( 0.000 -0.549 1.192) 1.313 10.153 ( 0.000 -2.235 -0.742) 2.355 10.444 ( 0.000 2.710 -2.699) 3.825 10.542 ( 0.000 2.225 -6.751) 7.108 10.662 ( 0.000 5.829 -10.289) 11.825 10.741 ( 0.000 0.487 3.613) 3.646 10.870 ( 0.000 -0.670 -2.565) 2.651 10.882 ( 0.000 5.005 -1.672) 5.277 11.121 ( 0.000 3.917 -11.402) 12.057 11.213 ( 0.000 1.718 5.536) 5.796 11.378 ( 0.000 2.971 10.524) 10.935 11.593 ( 0.000 3.658 15.974) 16.387 12.146 ( 0.000 -19.692 2.465) 19.846 12.404 ( 0.000 -15.024 0.506) 15.033 12.958 ( 0.000 9.112 0.481) 9.125 13.139 ( 0.000 0.659 4.851) 4.896 13.198 ( 0.000 1.752 1.131) 2.085 13.309 ( 0.000 0.064 0.158) 0.171======================= Grid point 46 (20/60) =======================q-point: ( 0.20 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 5.989 18.929 6.258) 20.817 1.214 ( 8.473 21.377 8.181) 24.406 1.807 ( -11.525 5.456 5.121) 13.741 1.947 ( -13.002 -0.217 1.136) 13.053 2.081 ( -1.417 9.652 2.536) 10.079 2.188 ( -3.615 -0.128 2.791) 4.569 2.245 ( 10.836 16.163 4.884) 20.063 2.260 ( 5.494 8.233 3.250) 10.418 2.408 ( 3.014 -2.223 4.218) 5.641 2.624 ( 2.953 10.140 -2.331) 10.815 2.704 ( 2.176 -4.821 -1.267) 5.439 2.898 ( 5.600 5.906 -3.671) 8.929 3.011 ( 2.542 -1.843 -0.431) 3.169 3.112 ( 0.773 2.378 2.590) 3.600 3.126 ( 4.609 5.009 1.259) 6.922 3.197 ( -2.704 -1.391 1.495) 3.388 3.297 ( -2.692 3.732 -3.816) 5.978 3.393 ( -5.165 -2.361 -2.011) 6.025 3.408 ( -3.054 1.620 -4.545) 5.710 3.479 ( -1.112 1.108 -3.685) 4.006 3.485 ( -0.791 3.755 -0.093) 3.838 3.560 ( -2.753 9.425 -1.520) 9.936 3.608 ( -1.666 -3.728 3.083) 5.117 3.653 ( -0.391 2.651 2.123) 3.419 3.740 ( -0.194 -5.755 -7.837) 9.726 3.878 ( 4.033 -0.971 -1.373) 4.369 3.934 ( 2.201 -5.252 1.666) 5.933 4.025 ( -4.911 6.417 -1.846) 8.289 4.057 ( 4.668 3.105 0.753) 5.657 4.196 ( 0.183 6.625 -2.027) 6.930 4.220 ( -7.395 5.100 -1.954) 9.193 4.484 ( 1.192 5.134 -0.727) 5.321 4.534 ( -0.104 -3.367 -2.380) 4.124 4.612 ( -1.561 -5.907 -0.234) 6.114 4.665 ( -3.190 -6.181 0.338) 6.964 4.731 ( -1.878 2.109 0.783) 2.931 4.845 ( 4.437 0.587 -0.613) 4.518 4.880 ( 3.212 -1.521 0.119) 3.556 4.909 ( 4.749 -8.029 0.599) 9.348 5.015 ( 0.431 -4.145 -2.494) 4.857 5.115 ( 0.933 2.588 -2.381) 3.638 5.209 ( 0.068 1.776 3.629) 4.041 5.262 ( -1.332 6.693 -1.202) 6.930 5.315 ( 0.145 -0.545 0.519) 0.766 5.386 ( -1.268 -3.619 -1.984) 4.317 5.418 ( -3.895 -0.309 1.371) 4.141 5.553 ( -0.507 0.422 4.075) 4.128 5.575 ( 1.331 -6.179 -3.599) 7.274 5.690 ( 5.023 -7.138 0.527) 8.744 5.750 ( 5.358 -1.447 4.704) 7.275 6.032 ( -1.498 -1.197 -1.593) 2.493 6.046 ( -2.312 -0.501 -0.661) 2.456 6.165 ( -0.313 0.684 -0.923) 1.191 6.192 ( -0.131 -0.061 0.576) 0.594 6.403 ( 1.812 -4.642 -2.356) 5.512 6.518 ( -1.086 -0.852 -5.188) 5.368 6.583 ( 0.469 1.028 -3.187) 3.381 6.860 ( -8.604 0.620 -0.773) 8.661 6.967 ( 0.585 -12.332 1.119) 12.396 7.068 ( -2.653 -4.736 -0.290) 5.436 7.311 ( 0.485 5.666 -1.371) 5.850 7.512 ( -4.897 0.819 -0.568) 4.997 7.613 ( 1.456 -9.727 -0.524) 9.850 7.683 ( -0.534 2.392 -2.141) 3.254 7.790 ( -0.892 3.368 -5.402) 6.428 7.809 ( 0.050 -1.207 -1.757) 2.132 7.967 ( 5.315 0.768 -4.731) 7.157 8.143 ( 0.034 -4.288 -3.963) 5.839 8.350 ( 1.481 2.964 4.190) 5.342 8.512 ( 1.479 5.195 -8.051) 9.696 8.624 ( -3.115 2.150 -1.642) 4.126 8.811 ( -2.581 -1.685 -5.600) 6.392 9.038 ( 1.399 6.236 2.351) 6.810 9.226 ( -3.017 5.902 2.257) 7.002 9.424 ( 1.783 -2.721 -0.681) 3.324 9.520 ( -0.551 1.338 2.230) 2.658 9.864 ( -0.489 4.639 2.086) 5.110 9.966 ( 5.159 1.150 -0.598) 5.319 10.042 ( -3.973 4.508 -1.134) 6.115 10.234 ( 4.977 -2.919 -0.197) 5.773 10.381 ( -3.209 4.187 -2.931) 6.035 10.539 ( 0.079 0.305 -4.183) 4.195 10.694 ( -4.695 0.406 2.488) 5.329 10.709 ( -0.166 -1.144 -3.054) 3.265 10.843 ( 2.276 6.023 -4.069) 7.617 10.929 ( 2.779 0.244 -2.065) 3.471 11.062 ( -4.212 0.661 -5.855) 7.243 11.272 ( 1.031 1.409 4.380) 4.715 11.312 ( -2.893 4.583 9.525) 10.959 11.542 ( -3.988 6.503 11.427) 13.740 12.234 ( 6.943 -18.969 2.896) 20.406 12.407 ( 0.093 -15.329 1.134) 15.372 12.972 ( 1.760 8.316 -0.218) 8.503 13.133 ( -1.009 0.615 2.849) 3.085 13.213 ( 1.455 1.234 1.150) 2.228 13.300 ( -0.871 0.086 0.204) 0.898======================= Grid point 47 (21/60) =======================q-point: ( 0.40 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 12.301 12.356 6.150) 18.488 1.389 ( 8.861 14.866 9.290) 19.642 1.593 ( -10.041 10.513 4.671) 15.270 1.684 ( -14.258 5.703 3.771) 15.812 2.068 ( 0.506 4.192 2.031) 4.685 2.108 ( -3.767 1.469 2.232) 4.619 2.349 ( 3.382 -1.816 1.261) 4.040 2.370 ( 1.394 -2.228 0.298) 2.645 2.517 ( 9.012 15.841 3.782) 18.613 2.639 ( -2.958 13.701 -0.402) 14.022 2.826 ( 9.726 -3.220 -3.510) 10.830 2.971 ( -0.423 -0.406 -4.041) 4.083 3.031 ( 0.486 0.336 -1.807) 1.901 3.084 ( -5.990 -4.574 0.877) 7.587 3.140 ( 2.474 0.749 1.502) 2.990 3.216 ( -1.209 7.816 2.272) 8.228 3.280 ( 1.042 8.952 -4.266) 9.971 3.294 ( -0.018 3.233 -1.692) 3.649 3.369 ( -1.528 2.363 -2.480) 3.751 3.415 ( -4.872 4.210 -2.524) 6.916 3.463 ( -0.332 3.973 1.746) 4.352 3.491 ( -3.248 6.554 0.331) 7.322 3.644 ( 4.139 -4.518 0.416) 6.141 3.692 ( 0.831 1.045 -2.704) 3.016 3.763 ( 3.887 0.249 -1.391) 4.136 3.882 ( -7.106 6.660 -0.990) 9.789 3.916 ( -0.189 -3.309 0.658) 3.379 3.937 ( -1.776 -6.593 3.724) 7.778 4.102 ( 0.623 3.741 -1.888) 4.236 4.143 ( -2.859 5.565 -2.885) 6.889 4.274 ( 8.635 2.381 0.664) 8.981 4.426 ( -6.529 3.024 1.108) 7.280 4.540 ( 0.341 -7.028 -3.246) 7.749 4.569 ( -2.588 -7.532 -1.456) 8.096 4.658 ( 2.412 -1.960 -1.949) 3.669 4.702 ( -1.851 1.451 -0.535) 2.412 4.927 ( 4.166 -5.877 -1.607) 7.381 4.956 ( 3.812 1.077 -2.873) 4.893 4.973 ( 0.949 -5.330 0.722) 5.461 5.009 ( -1.317 -3.789 -2.876) 4.936 5.160 ( 3.776 3.464 -1.379) 5.307 5.205 ( 0.903 4.672 2.022) 5.170 5.226 ( -2.770 6.117 -0.804) 6.763 5.268 ( -4.856 -0.450 2.206) 5.352 5.371 ( 0.598 -3.047 -1.305) 3.368 5.389 ( -0.626 -1.813 -0.036) 1.918 5.546 ( 0.066 -2.552 3.075) 3.997 5.561 ( -1.369 -1.116 0.491) 1.834 5.809 ( 5.392 -7.179 -0.480) 8.991 5.838 ( 2.682 -3.002 2.471) 4.723 6.000 ( -1.762 1.165 -0.636) 2.206 6.002 ( -1.432 -0.497 -0.555) 1.614 6.162 ( 0.602 -0.856 -0.511) 1.164 6.185 ( -1.103 1.333 -0.065) 1.732 6.448 ( 2.803 -3.832 -2.156) 5.215 6.492 ( -1.797 -2.523 -2.846) 4.206 6.602 ( 2.048 1.449 -3.979) 4.704 6.689 ( -7.853 2.107 -3.072) 8.691 6.988 ( 1.517 -11.721 0.742) 11.842 7.022 ( -2.192 -8.572 0.795) 8.883 7.338 ( 2.555 4.864 -0.907) 5.569 7.410 ( -5.196 3.466 -0.497) 6.265 7.649 ( 2.419 -8.987 -0.100) 9.307 7.683 ( -0.601 -3.866 0.400) 3.933 7.778 ( -0.194 4.307 -3.828) 5.765 7.790 ( -1.497 1.726 -4.981) 5.480 8.066 ( 4.977 -0.905 -4.397) 6.703 8.133 ( -1.844 -3.591 -4.727) 6.216 8.387 ( 2.563 6.021 3.041) 7.216 8.453 ( -4.779 9.384 0.259) 10.534 8.663 ( 4.935 -1.421 -5.315) 7.391 8.750 ( -4.070 -2.080 -5.455) 7.117 9.085 ( 3.484 7.160 2.627) 8.384 9.157 ( -4.093 6.755 2.454) 8.270 9.463 ( 2.263 -0.719 -0.456) 2.418 9.500 ( -1.624 0.654 0.780) 1.917 9.880 ( 2.405 6.246 0.645) 6.724 9.950 ( -4.792 7.893 -1.231) 9.316 10.091 ( 7.283 0.042 -1.433) 7.423 10.219 ( -5.692 -0.798 -1.840) 6.035 10.429 ( 6.864 2.432 -0.798) 7.325 10.556 ( -1.973 0.060 -1.500) 2.479 10.583 ( -2.541 -0.464 1.168) 2.835 10.647 ( -4.598 -1.070 -0.060) 4.721 10.926 ( 3.904 0.699 -0.853) 4.057 10.985 ( -2.103 -0.260 -1.351) 2.513 11.014 ( 5.215 -1.259 -1.416) 5.548 11.151 ( -7.992 -1.880 6.842) 10.687 11.384 ( 4.828 8.792 3.951) 10.781 11.467 ( -4.195 8.916 6.732) 11.934 12.343 ( 4.361 -16.971 3.369) 17.843 12.396 ( -1.539 -15.825 2.579) 16.108 13.025 ( 3.716 5.283 -0.941) 6.527 13.093 ( -3.226 1.979 0.181) 3.789 13.245 ( 1.861 0.636 0.732) 2.098 13.277 ( -1.571 0.252 0.387) 1.638======================= Grid point 50 (22/60) =======================q-point: ( 0.00 0.43 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 0.000 20.651 5.269) 21.312 1.571 ( 0.000 21.872 1.098) 21.900 1.882 ( 0.000 -11.334 5.756) 12.712 1.969 ( 0.000 -13.061 -0.420) 13.068 2.128 ( 0.000 1.538 0.499) 1.617 2.145 ( 0.000 0.752 2.554) 2.663 2.240 ( 0.000 -3.441 4.974) 6.049 2.321 ( 0.000 -10.769 1.770) 10.914 2.382 ( 0.000 11.339 0.261) 11.342 2.601 ( 0.000 -6.912 -0.956) 6.978 2.936 ( 0.000 23.183 1.633) 23.240 3.003 ( 0.000 8.475 1.784) 8.661 3.035 ( 0.000 4.833 -3.667) 6.067 3.194 ( 0.000 2.261 3.718) 4.352 3.214 ( 0.000 0.365 1.605) 1.646 3.233 ( 0.000 7.971 0.042) 7.971 3.330 ( 0.000 -7.609 -1.602) 7.776 3.332 ( 0.000 -0.859 -1.212) 1.485 3.372 ( 0.000 -6.542 1.694) 6.758 3.398 ( 0.000 -6.353 -1.285) 6.482 3.590 ( 0.000 7.183 -2.910) 7.750 3.641 ( 0.000 0.388 -3.217) 3.240 3.654 ( 0.000 2.122 -6.045) 6.407 3.703 ( 0.000 -0.713 -4.831) 4.883 3.779 ( 0.000 -4.230 -2.260) 4.796 3.813 ( 0.000 -1.651 0.453) 1.712 3.921 ( 0.000 12.741 -0.713) 12.761 4.036 ( 0.000 3.159 -2.474) 4.013 4.209 ( 0.000 5.210 -0.756) 5.265 4.298 ( 0.000 -0.587 -4.617) 4.654 4.365 ( 0.000 -8.377 3.927) 9.252 4.421 ( 0.000 -13.101 3.773) 13.634 4.567 ( 0.000 1.876 -2.710) 3.296 4.568 ( 0.000 11.863 -7.045) 13.797 4.623 ( 0.000 1.153 -1.116) 1.604 4.651 ( 0.000 0.656 0.856) 1.079 4.734 ( 0.000 -1.038 2.431) 2.643 4.819 ( 0.000 0.559 4.868) 4.900 4.853 ( 0.000 -5.808 -5.475) 7.982 4.930 ( 0.000 -6.689 3.345) 7.479 5.167 ( 0.000 2.428 5.746) 6.238 5.197 ( 0.000 2.414 -4.537) 5.140 5.279 ( 0.000 -0.721 -4.567) 4.624 5.287 ( 0.000 -3.535 -2.218) 4.173 5.382 ( 0.000 -0.885 2.430) 2.586 5.438 ( 0.000 -2.581 4.116) 4.858 5.481 ( 0.000 -3.988 1.852) 4.397 5.486 ( 0.000 -6.919 6.939) 9.799 5.681 ( 0.000 19.023 -2.293) 19.161 5.883 ( 0.000 10.748 -0.044) 10.748 5.988 ( 0.000 -8.828 -1.469) 8.949 6.008 ( 0.000 -3.104 -1.512) 3.453 6.193 ( 0.000 0.437 -0.689) 0.816 6.219 ( 0.000 4.131 1.376) 4.354 6.246 ( 0.000 -3.656 -0.147) 3.659 6.470 ( 0.000 -10.681 0.047) 10.681 6.591 ( 0.000 0.661 -3.038) 3.110 6.649 ( 0.000 -9.494 -2.688) 9.868 6.962 ( 0.000 1.396 -0.063) 1.397 7.017 ( 0.000 -3.992 -2.021) 4.474 7.403 ( 0.000 2.909 -1.150) 3.129 7.461 ( 0.000 -4.033 -0.576) 4.074 7.625 ( 0.000 5.117 -0.390) 5.132 7.720 ( 0.000 -3.998 -1.539) 4.284 7.837 ( 0.000 5.030 -3.626) 6.201 7.872 ( 0.000 5.164 -3.249) 6.101 7.891 ( 0.000 -1.752 -6.852) 7.072 8.019 ( 0.000 -7.582 -3.059) 8.176 8.413 ( 0.000 4.581 0.303) 4.591 8.482 ( 0.000 -1.995 -4.409) 4.839 8.756 ( 0.000 4.662 -5.785) 7.429 8.822 ( 0.000 -1.724 -6.983) 7.192 9.149 ( 0.000 6.689 1.964) 6.971 9.287 ( 0.000 -6.955 1.566) 7.129 9.394 ( 0.000 7.233 3.756) 8.150 9.507 ( 0.000 -3.486 3.835) 5.183 9.931 ( 0.000 0.716 1.242) 1.433 9.931 ( 0.000 0.959 2.057) 2.269 10.090 ( 0.000 0.286 0.656) 0.715 10.110 ( 0.000 -1.779 -0.453) 1.835 10.496 ( 0.000 2.479 -2.871) 3.793 10.537 ( 0.000 -1.482 -2.830) 3.195 10.712 ( 0.000 0.625 -4.934) 4.973 10.728 ( 0.000 -1.073 -0.559) 1.210 10.896 ( 0.000 2.207 -3.818) 4.409 10.926 ( 0.000 -0.382 -1.718) 1.760 11.255 ( 0.000 2.476 7.500) 7.898 11.270 ( 0.000 4.827 -1.981) 5.217 11.427 ( 0.000 8.470 3.827) 9.294 11.749 ( 0.000 -19.772 -3.339) 20.052 11.768 ( 0.000 13.032 10.043) 16.452 12.072 ( 0.000 -17.052 6.712) 18.325 13.139 ( 0.000 8.262 0.223) 8.265 13.186 ( 0.000 2.377 1.014) 2.585 13.219 ( 0.000 0.232 1.312) 1.333 13.274 ( 0.000 -3.952 0.626) 4.002======================= Grid point 51 (23/60) =======================q-point: ( 0.20 0.43 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 0.126 18.749 2.802) 18.958 1.631 ( 4.029 18.805 4.993) 19.869 1.816 ( -4.366 -7.241 4.492) 9.574 1.921 ( -8.311 -4.745 3.607) 10.228 2.109 ( -3.745 -2.754 -1.565) 4.904 2.115 ( 2.760 -4.837 -0.101) 5.570 2.202 ( -5.468 0.769 1.988) 5.869 2.276 ( 0.716 -5.615 5.000) 7.552 2.549 ( 11.182 1.051 0.765) 11.257 2.642 ( 4.143 -4.196 -0.095) 5.898 2.913 ( -4.647 11.104 -1.466) 12.126 2.996 ( 3.561 14.398 0.027) 14.832 3.067 ( 1.456 4.450 -0.996) 4.787 3.164 ( -4.135 2.506 1.617) 5.099 3.222 ( -0.829 7.108 -0.236) 7.160 3.259 ( 4.791 -1.698 3.470) 6.155 3.314 ( -1.089 -5.236 -3.141) 6.202 3.350 ( 1.769 1.037 0.307) 2.073 3.376 ( -0.532 -7.278 -0.526) 7.317 3.418 ( 2.638 -3.194 0.490) 4.171 3.531 ( -7.236 1.050 -3.111) 7.946 3.585 ( -0.302 -1.068 -6.230) 6.328 3.656 ( -0.583 4.496 -2.904) 5.384 3.771 ( 1.773 -0.465 -1.860) 2.612 3.807 ( 4.629 4.594 -2.331) 6.926 3.865 ( 0.411 10.025 -1.749) 10.185 3.920 ( 4.775 3.484 0.982) 5.992 4.086 ( 5.269 -1.648 -2.217) 5.949 4.183 ( -2.659 8.017 -2.637) 8.849 4.275 ( -2.490 -1.073 -2.761) 3.870 4.370 ( -1.326 0.355 -1.943) 2.379 4.398 ( -1.694 -12.738 3.381) 13.287 4.448 ( -4.303 2.305 -0.415) 4.899 4.513 ( -7.883 2.738 2.153) 8.618 4.621 ( -4.143 0.637 -0.184) 4.196 4.667 ( -0.784 -6.378 -2.488) 6.891 4.738 ( 3.398 0.723 1.039) 3.626 4.812 ( 0.644 -1.583 1.093) 2.028 4.893 ( -0.283 -6.363 1.218) 6.484 4.898 ( -0.161 -6.710 -1.476) 6.873 5.200 ( 4.226 6.851 -1.052) 8.118 5.261 ( 3.608 2.274 0.828) 4.344 5.283 ( 0.295 -0.385 -3.972) 4.001 5.312 ( 2.377 -2.876 -1.271) 3.942 5.359 ( -1.291 2.654 3.125) 4.298 5.445 ( 0.310 -3.142 1.443) 3.471 5.491 ( 1.055 -2.939 3.992) 5.068 5.512 ( 2.178 -7.328 5.380) 9.348 5.697 ( 1.968 16.678 -2.181) 16.934 5.874 ( -1.061 8.167 -0.328) 8.242 5.979 ( -0.913 -7.822 -1.437) 8.005 5.993 ( -1.504 -3.818 -1.639) 4.419 6.187 ( 0.037 3.521 -0.410) 3.544 6.236 ( 0.640 5.222 2.534) 5.839 6.268 ( 2.761 -6.707 -1.179) 7.348 6.450 ( -2.077 -9.236 -0.372) 9.474 6.596 ( 0.601 0.685 -3.382) 3.502 6.667 ( 2.098 -10.290 -1.759) 10.648 6.891 ( -7.251 2.193 -0.735) 7.611 6.963 ( -5.413 -4.966 -1.288) 7.458 7.397 ( 0.214 3.335 -0.869) 3.453 7.469 ( 1.067 -4.709 -0.516) 4.856 7.587 ( -4.070 4.889 -0.122) 6.362 7.672 ( -3.969 -3.222 -0.444) 5.131 7.857 ( 1.562 4.011 -4.965) 6.570 7.883 ( 0.938 6.611 -3.261) 7.431 7.932 ( 3.453 -3.373 -5.296) 7.166 8.026 ( 0.599 -7.068 -3.548) 7.931 8.444 ( 3.139 5.212 -0.271) 6.090 8.523 ( 4.003 -2.419 -4.366) 6.399 8.708 ( -4.600 4.667 -4.577) 7.993 8.778 ( -3.948 -2.303 -5.504) 7.155 9.185 ( 3.450 8.030 1.654) 8.895 9.331 ( 3.791 -6.102 0.445) 7.197 9.374 ( -2.030 7.562 3.368) 8.524 9.496 ( -1.198 -3.940 3.266) 5.256 9.934 ( 1.284 2.594 0.919) 3.037 9.969 ( 3.791 -0.843 -0.129) 3.886 10.107 ( 0.990 2.640 -0.290) 2.835 10.164 ( 4.116 -3.405 0.372) 5.355 10.459 ( -2.706 3.574 -2.851) 5.313 10.519 ( -1.482 -2.271 -2.834) 3.922 10.684 ( -3.682 -0.431 -1.427) 3.973 10.690 ( -3.412 -0.830 -1.364) 3.767 10.915 ( 1.985 1.787 -2.818) 3.883 10.935 ( 1.125 -0.309 -1.755) 2.107 11.130 ( -7.374 5.122 0.209) 8.981 11.226 ( -7.131 -4.296 7.433) 11.161 11.501 ( 6.780 13.997 0.611) 15.565 11.745 ( -1.357 12.132 7.203) 14.174 11.847 ( 7.029 -17.796 1.127) 19.167 12.067 ( -0.726 -17.538 6.237) 18.628 13.142 ( 0.429 7.861 0.058) 7.873 13.185 ( -0.205 2.960 0.719) 3.053 13.225 ( 0.608 -0.352 1.042) 1.256 13.269 ( -0.515 -3.665 0.492) 3.733======================= Grid point 52 (24/60) =======================q-point: ( 0.40 0.43 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 5.626 13.120 3.068) 14.601 1.669 ( -2.850 10.953 6.921) 13.266 1.744 ( -2.162 0.513 3.320) 3.995 1.776 ( -4.410 0.562 3.996) 5.977 2.051 ( -0.522 0.080 -0.906) 1.049 2.093 ( -4.402 4.201 1.842) 6.358 2.207 ( 3.878 -10.002 0.918) 10.766 2.263 ( -2.051 -8.876 3.304) 9.690 2.731 ( 5.906 1.579 -0.144) 6.115 2.761 ( 10.595 -2.583 -0.221) 10.907 2.828 ( -4.656 6.604 -1.774) 8.272 2.948 ( -8.580 -5.174 -1.772) 10.175 3.123 ( 3.027 13.373 0.348) 13.716 3.137 ( 0.713 9.847 0.809) 9.906 3.227 ( 2.932 5.929 -1.144) 6.712 3.294 ( 0.913 -4.660 -0.915) 4.836 3.313 ( -3.286 -2.009 -2.401) 4.538 3.359 ( -4.110 0.056 -3.008) 5.093 3.371 ( 1.855 -1.252 1.033) 2.465 3.414 ( -0.003 -3.248 1.838) 3.731 3.503 ( 4.466 1.732 -2.257) 5.295 3.601 ( -1.917 -0.841 -4.174) 4.670 3.612 ( 0.315 -0.982 -1.102) 1.509 3.708 ( -5.907 -2.909 -1.741) 6.811 3.911 ( 6.472 12.644 0.383) 14.209 3.962 ( 9.032 17.558 -1.399) 19.794 4.018 ( 0.874 7.809 1.191) 7.948 4.100 ( -5.047 9.797 -2.995) 11.421 4.153 ( -0.865 2.834 -5.042) 5.848 4.245 ( -3.682 2.159 -2.679) 5.039 4.296 ( 2.207 -2.060 -2.711) 4.058 4.370 ( -0.592 -8.008 -0.684) 8.059 4.416 ( -1.842 -2.326 2.836) 4.105 4.450 ( -1.216 -4.464 1.176) 4.774 4.513 ( -2.349 -10.117 4.102) 11.167 4.594 ( -6.054 -12.707 0.961) 14.108 4.803 ( 2.628 -0.080 0.831) 2.757 4.832 ( -0.081 -1.642 0.340) 1.679 4.879 ( 1.370 -5.793 -0.575) 5.980 4.908 ( -0.802 -6.577 -3.078) 7.306 5.277 ( 1.087 3.267 -2.126) 4.047 5.287 ( -0.219 2.254 -0.597) 2.342 5.296 ( 3.007 3.232 -0.855) 4.496 5.335 ( -0.217 -1.760 -1.973) 2.653 5.378 ( 2.967 7.170 3.128) 8.367 5.437 ( -1.998 3.868 0.397) 4.372 5.517 ( 1.806 -2.160 3.927) 4.832 5.538 ( 0.146 -5.304 5.012) 7.299 5.760 ( 4.542 8.317 -1.761) 9.639 5.837 ( -3.187 4.712 -1.074) 5.789 5.961 ( -0.745 -6.545 -1.523) 6.761 5.963 ( -1.199 -5.153 -1.797) 5.587 6.205 ( 1.835 5.765 0.470) 6.069 6.235 ( -0.876 4.357 1.403) 4.661 6.332 ( 3.715 -7.182 -0.581) 8.107 6.398 ( -3.378 -7.969 -0.767) 8.690 6.627 ( 3.370 1.984 -3.103) 4.992 6.728 ( 1.001 -5.423 -1.302) 5.667 6.739 ( -4.222 -1.380 -0.818) 4.517 6.843 ( -6.820 -7.789 -0.243) 10.356 7.425 ( 2.846 4.112 -0.542) 5.030 7.498 ( -4.598 4.679 -0.285) 6.566 7.512 ( 3.357 -4.928 -0.002) 5.963 7.591 ( -4.653 -4.589 0.166) 6.537 7.883 ( 1.104 5.681 -4.334) 7.230 7.894 ( 0.033 6.806 -3.743) 7.767 7.994 ( 2.834 -5.225 -4.449) 7.425 8.028 ( -0.744 -6.457 -4.072) 7.670 8.518 ( 4.602 6.131 -1.443) 7.801 8.599 ( -0.268 2.756 -3.955) 4.828 8.624 ( -0.025 -0.206 -3.020) 3.027 8.700 ( -4.407 -3.315 -4.333) 7.013 9.256 ( 3.885 9.007 1.584) 9.937 9.322 ( -3.247 8.709 2.300) 9.575 9.404 ( 3.618 -5.380 0.572) 6.508 9.462 ( -2.541 -4.721 1.852) 5.672 9.991 ( 4.680 4.849 -1.086) 6.826 10.066 ( 6.409 -2.601 -1.583) 7.096 10.083 ( -4.059 5.621 -1.769) 7.156 10.175 ( -3.929 -3.620 -1.557) 5.565 10.471 ( 4.654 2.271 -0.719) 5.228 10.523 ( 2.837 -2.737 -0.773) 4.018 10.584 ( -6.389 0.556 -0.141) 6.414 10.609 ( -5.244 -1.982 -0.075) 5.607 10.954 ( 2.340 1.613 -0.448) 2.877 10.986 ( 4.462 -1.491 -0.291) 4.713 11.017 ( -4.625 3.198 -0.015) 5.623 11.091 ( -6.750 -3.799 4.057) 8.743 11.620 ( 5.614 15.043 3.060) 16.345 11.702 ( -3.314 14.729 5.809) 16.176 11.966 ( 5.331 -19.264 3.008) 20.213 12.038 ( -2.560 -18.579 4.928) 19.391 13.156 ( 1.009 6.562 -0.079) 6.640 13.175 ( -0.880 4.638 0.223) 4.726 13.239 ( 0.889 -1.683 0.507) 1.969 13.256 ( -0.844 -2.881 0.331) 3.021======================= Grid point 70 (25/60) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.000 0.000 20.406) 20.406 0.995 ( 0.000 0.000 24.284) 24.284 1.514 ( 0.000 0.000 36.853) 36.853 1.930 ( 0.000 0.000 -0.460) 0.460 1.992 ( 0.000 0.000 -7.659) 7.659 2.036 ( 0.000 0.000 7.858) 7.858 2.065 ( 0.000 0.000 4.358) 4.358 2.183 ( 0.000 0.000 5.412) 5.412 2.193 ( 0.000 0.000 3.804) 3.804 2.317 ( 0.000 0.000 -0.880) 0.880 2.638 ( 0.000 0.000 2.895) 2.895 2.742 ( 0.000 0.000 -7.143) 7.143 3.038 ( 0.000 0.000 4.245) 4.245 3.085 ( 0.000 0.000 -8.002) 8.002 3.095 ( 0.000 0.000 0.253) 0.253 3.170 ( 0.000 0.000 -10.811) 10.811 3.307 ( 0.000 0.000 3.141) 3.141 3.377 ( 0.000 0.000 5.597) 5.597 3.444 ( 0.000 0.000 -10.096) 10.096 3.504 ( 0.000 0.000 0.652) 0.652 3.589 ( 0.000 0.000 -0.432) 0.432 3.627 ( 0.000 0.000 -0.266) 0.266 3.632 ( 0.000 0.000 -4.987) 4.987 3.788 ( 0.000 0.000 -8.658) 8.658 3.819 ( 0.000 0.000 -0.994) 0.994 3.909 ( 0.000 0.000 -8.179) 8.179 3.936 ( 0.000 0.000 0.077) 0.077 3.968 ( 0.000 0.000 -2.243) 2.243 3.987 ( 0.000 0.000 6.557) 6.557 4.015 ( 0.000 0.000 -0.325) 0.325 4.105 ( 0.000 0.000 -3.796) 3.796 4.144 ( 0.000 0.000 -0.338) 0.338 4.343 ( 0.000 0.000 -4.947) 4.947 4.401 ( 0.000 0.000 -1.460) 1.460 4.669 ( 0.000 0.000 2.910) 2.910 4.737 ( 0.000 0.000 0.183) 0.183 4.861 ( 0.000 0.000 -2.032) 2.032 4.959 ( 0.000 0.000 -1.283) 1.283 5.000 ( 0.000 0.000 -5.527) 5.527 5.012 ( 0.000 0.000 5.904) 5.904 5.035 ( 0.000 0.000 -5.601) 5.601 5.203 ( 0.000 0.000 0.861) 0.861 5.272 ( 0.000 0.000 4.424) 4.424 5.280 ( 0.000 0.000 -3.306) 3.306 5.495 ( 0.000 0.000 -3.972) 3.972 5.520 ( 0.000 0.000 -3.323) 3.323 5.619 ( 0.000 0.000 -3.348) 3.348 5.735 ( 0.000 0.000 -5.637) 5.637 5.796 ( 0.000 0.000 -2.451) 2.451 5.924 ( 0.000 0.000 3.974) 3.974 5.989 ( 0.000 0.000 2.187) 2.187 6.075 ( 0.000 0.000 -0.396) 0.396 6.248 ( 0.000 0.000 1.852) 1.852 6.321 ( 0.000 0.000 1.142) 1.142 6.358 ( 0.000 0.000 3.194) 3.194 6.399 ( 0.000 0.000 -5.748) 5.748 6.407 ( 0.000 0.000 -1.694) 1.694 6.567 ( 0.000 0.000 -3.963) 3.963 7.041 ( 0.000 0.000 -1.347) 1.347 7.054 ( 0.000 0.000 1.914) 1.914 7.110 ( 0.000 0.000 -3.595) 3.595 7.528 ( 0.000 0.000 -7.532) 7.532 7.560 ( 0.000 0.000 -3.663) 3.663 7.794 ( 0.000 0.000 -5.288) 5.288 7.865 ( 0.000 0.000 2.221) 2.221 7.866 ( 0.000 0.000 0.756) 0.756 8.031 ( 0.000 0.000 6.554) 6.554 8.064 ( 0.000 0.000 5.653) 5.653 8.206 ( 0.000 0.000 -0.575) 0.575 8.369 ( 0.000 0.000 -0.318) 0.318 8.761 ( 0.000 0.000 -0.758) 0.758 8.782 ( 0.000 0.000 -5.558) 5.558 9.010 ( 0.000 0.000 1.803) 1.803 9.248 ( 0.000 0.000 -2.192) 2.192 9.396 ( 0.000 0.000 0.303) 0.303 9.406 ( 0.000 0.000 0.119) 0.119 9.720 ( 0.000 0.000 2.376) 2.376 9.728 ( 0.000 0.000 2.647) 2.647 9.901 ( 0.000 0.000 2.068) 2.068 10.151 ( 0.000 0.000 1.651) 1.651 10.165 ( 0.000 0.000 -1.300) 1.300 10.306 ( 0.000 0.000 -4.627) 4.627 10.585 ( 0.000 0.000 -0.085) 0.085 10.628 ( 0.000 0.000 -0.857) 0.857 10.912 ( 0.000 0.000 -1.487) 1.487 10.951 ( 0.000 0.000 11.629) 11.629 11.078 ( 0.000 0.000 -5.106) 5.106 11.249 ( 0.000 0.000 4.161) 4.161 11.267 ( 0.000 0.000 4.390) 4.390 12.090 ( 0.000 0.000 25.996) 25.996 12.425 ( 0.000 0.000 -17.535) 17.535 12.583 ( 0.000 0.000 4.630) 4.630 12.774 ( 0.000 0.000 1.149) 1.149 13.173 ( 0.000 0.000 1.811) 1.811 13.230 ( 0.000 0.000 -1.492) 1.492 13.562 ( 0.000 0.000 -8.681) 8.681======================= Grid point 71 (26/60) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 13.340 0.000 17.066) 21.661 1.089 ( 9.578 0.000 21.472) 23.512 1.612 ( 9.944 0.000 32.177) 33.679 1.808 ( -13.029 0.000 7.675) 15.121 1.847 ( -10.024 0.000 3.004) 10.465 2.039 ( -0.758 0.000 4.312) 4.378 2.090 ( 3.139 0.000 -3.743) 4.885 2.131 ( -2.587 0.000 4.839) 5.487 2.331 ( 10.716 0.000 2.383) 10.977 2.423 ( 7.426 0.000 -3.128) 8.058 2.669 ( 2.482 0.000 2.008) 3.192 2.715 ( -2.731 0.000 -6.931) 7.449 3.018 ( -6.488 0.000 -7.416) 9.853 3.076 ( 3.729 0.000 3.973) 5.449 3.089 ( -7.990 0.000 -11.026) 13.617 3.113 ( 1.799 0.000 0.638) 1.908 3.294 ( -1.468 0.000 3.878) 4.147 3.373 ( -1.150 0.000 3.333) 3.525 3.381 ( -5.611 0.000 -6.512) 8.596 3.458 ( -3.203 0.000 2.390) 3.996 3.522 ( -4.629 0.000 -9.061) 10.175 3.573 ( -4.249 0.000 0.339) 4.262 3.645 ( 0.295 0.000 -1.939) 1.962 3.775 ( -3.005 0.000 -2.660) 4.014 3.822 ( -0.484 0.000 1.663) 1.731 3.885 ( 3.811 0.000 -1.929) 4.271 3.920 ( 1.913 0.000 -7.106) 7.359 4.018 ( 3.796 0.000 5.796) 6.928 4.025 ( 1.124 0.000 -0.210) 1.143 4.134 ( 6.635 0.000 -2.388) 7.052 4.148 ( 0.256 0.000 -2.133) 2.148 4.218 ( 9.015 0.000 -2.281) 9.300 4.332 ( -0.658 0.000 -3.691) 3.749 4.401 ( -0.461 0.000 -1.956) 2.010 4.672 ( 0.640 0.000 0.819) 1.040 4.731 ( -0.130 0.000 -0.741) 0.752 4.872 ( 1.150 0.000 -2.287) 2.559 4.890 ( -6.594 0.000 -0.956) 6.663 4.949 ( -3.656 0.000 -1.746) 4.051 4.982 ( -1.772 0.000 -4.798) 5.115 5.112 ( 2.932 0.000 0.764) 3.030 5.181 ( 0.096 0.000 0.775) 0.781 5.270 ( -2.544 0.000 -3.915) 4.669 5.306 ( 3.451 0.000 3.563) 4.961 5.423 ( -4.259 0.000 -0.606) 4.302 5.533 ( 0.416 0.000 -4.548) 4.567 5.583 ( -3.738 0.000 -2.330) 4.405 5.709 ( -3.204 0.000 -5.164) 6.077 5.849 ( 1.921 0.000 -0.011) 1.921 5.965 ( 7.629 0.000 -4.643) 8.931 5.993 ( 0.661 0.000 2.226) 2.322 6.073 ( -0.496 0.000 -0.122) 0.511 6.260 ( 1.196 0.000 1.368) 1.817 6.273 ( -7.002 0.000 4.035) 8.082 6.319 ( -0.249 0.000 0.925) 0.958 6.397 ( -1.645 0.000 -6.340) 6.550 6.424 ( 1.803 0.000 -1.830) 2.569 6.554 ( -1.407 0.000 -3.697) 3.956 7.003 ( -0.674 0.000 -1.339) 1.499 7.080 ( 2.892 0.000 1.048) 3.076 7.123 ( -0.707 0.000 -3.734) 3.800 7.451 ( -7.323 0.000 -6.247) 9.625 7.604 ( 4.368 0.000 -3.197) 5.413 7.809 ( 0.476 0.000 -4.111) 4.138 7.831 ( -0.277 0.000 2.735) 2.749 7.898 ( 0.008 0.000 3.035) 3.035 8.094 ( 5.941 0.000 3.105) 6.704 8.096 ( 2.802 0.000 4.944) 5.682 8.237 ( 2.454 0.000 0.613) 2.530 8.352 ( -1.788 0.000 -0.309) 1.815 8.639 ( -6.921 0.000 0.324) 6.929 8.782 ( -3.577 0.000 -5.643) 6.681 9.027 ( 2.409 0.000 2.880) 3.755 9.225 ( -2.339 0.000 -1.020) 2.552 9.397 ( 0.111 0.000 0.305) 0.324 9.405 ( -0.084 0.000 0.158) 0.179 9.720 ( 0.046 0.000 2.376) 2.377 9.727 ( -0.106 0.000 2.591) 2.593 9.942 ( 4.142 0.000 1.360) 4.359 10.164 ( 4.874 0.000 0.436) 4.893 10.270 ( -2.609 0.000 -3.010) 3.983 10.395 ( 13.388 0.000 -3.785) 13.913 10.615 ( 0.431 0.000 -0.819) 0.926 10.653 ( 7.196 0.000 -1.764) 7.409 10.860 ( -8.511 0.000 10.358) 13.406 10.927 ( 1.610 0.000 -1.834) 2.441 11.062 ( -1.718 0.000 -4.764) 5.064 11.244 ( -1.345 0.000 3.774) 4.007 11.275 ( 1.410 0.000 5.262) 5.448 11.847 ( -18.425 0.000 11.620) 21.783 12.576 ( 4.615 0.000 1.794) 4.952 12.615 ( 5.532 0.000 0.932) 5.610 12.797 ( 4.641 0.000 -1.287) 4.816 13.168 ( -1.073 0.000 0.579) 1.219 13.233 ( 0.807 0.000 -0.679) 1.055 13.507 ( -5.452 0.000 -5.618) 7.829======================= Grid point 72 (27/60) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 14.585 0.000 14.907) 20.855 1.320 ( 14.623 0.000 15.740) 21.484 1.527 ( -14.486 0.000 13.032) 19.485 1.601 ( -15.148 0.000 9.698) 17.986 1.884 ( 14.920 0.000 18.497) 23.764 2.052 ( 1.661 0.000 3.486) 3.862 2.089 ( -2.162 0.000 3.874) 4.437 2.089 ( -5.280 0.000 4.205) 6.749 2.538 ( 11.143 0.000 -0.151) 11.144 2.549 ( 6.089 0.000 -5.562) 8.247 2.647 ( -4.523 0.000 -6.580) 7.984 2.686 ( -2.541 0.000 1.279) 2.845 2.896 ( -4.572 0.000 -8.586) 9.728 2.926 ( -7.185 0.000 -11.402) 13.477 3.154 ( 3.301 0.000 3.597) 4.882 3.158 ( 3.114 0.000 1.619) 3.510 3.258 ( -1.466 0.000 3.646) 3.930 3.304 ( -5.122 0.000 1.627) 5.374 3.334 ( 1.323 0.000 -7.094) 7.216 3.413 ( -6.233 0.000 -9.064) 11.000 3.450 ( 1.750 0.000 3.514) 3.926 3.499 ( -3.419 0.000 1.532) 3.747 3.652 ( 1.006 0.000 -1.437) 1.754 3.696 ( -3.776 0.000 -1.491) 4.060 3.919 ( 1.532 0.000 -2.816) 3.206 3.922 ( 7.836 0.000 4.801) 9.190 3.946 ( -0.763 0.000 -3.542) 3.623 4.037 ( -3.081 0.000 6.130) 6.861 4.077 ( 4.232 0.000 -2.759) 5.052 4.139 ( -1.825 0.000 -4.222) 4.599 4.250 ( 6.235 0.000 2.404) 6.682 4.317 ( 0.774 0.000 2.053) 2.194 4.338 ( 1.502 0.000 -2.276) 2.727 4.376 ( -2.073 0.000 -2.054) 2.918 4.682 ( 0.046 0.000 -4.035) 4.036 4.744 ( -7.261 0.000 -4.701) 8.650 4.776 ( 5.712 0.000 -3.401) 6.648 4.879 ( -4.149 0.000 -4.058) 5.803 4.902 ( 2.029 0.000 -2.901) 3.540 4.943 ( -2.303 0.000 -3.721) 4.376 5.143 ( 1.275 0.000 0.622) 1.419 5.190 ( -4.316 0.000 -1.366) 4.527 5.236 ( 4.848 0.000 0.704) 4.899 5.339 ( -5.448 0.000 0.757) 5.500 5.389 ( 5.340 0.000 1.913) 5.673 5.493 ( -5.610 0.000 -0.148) 5.612 5.561 ( 2.609 0.000 -4.505) 5.206 5.624 ( -4.311 0.000 -3.332) 5.449 5.932 ( 6.374 0.000 -1.869) 6.642 6.017 ( 1.780 0.000 1.773) 2.512 6.047 ( -3.754 0.000 -7.756) 8.617 6.051 ( -1.722 0.000 0.841) 1.917 6.213 ( 4.707 0.000 0.087) 4.707 6.287 ( 1.483 0.000 0.656) 1.622 6.309 ( -0.856 0.000 0.590) 1.040 6.330 ( -5.543 0.000 -6.844) 8.807 6.468 ( 2.705 0.000 -2.309) 3.557 6.517 ( -2.455 0.000 -3.037) 3.905 7.030 ( 2.818 0.000 -2.129) 3.532 7.086 ( -2.866 0.000 -3.208) 4.302 7.163 ( 6.049 0.000 -1.121) 6.152 7.298 ( -8.353 0.000 -3.736) 9.151 7.700 ( 5.431 0.000 -2.677) 6.055 7.785 ( -3.220 0.000 -3.037) 4.426 7.846 ( 1.617 0.000 3.508) 3.863 7.879 ( -1.675 0.000 3.888) 4.234 8.160 ( 4.180 0.000 5.712) 7.078 8.210 ( 5.889 0.000 0.593) 5.918 8.237 ( -3.102 0.000 5.037) 5.915 8.301 ( -3.865 0.000 -0.154) 3.868 8.593 ( 2.439 0.000 -2.916) 3.801 8.684 ( -6.044 0.000 -5.100) 7.908 9.092 ( 4.124 0.000 2.540) 4.844 9.167 ( -3.812 0.000 1.048) 3.954 9.400 ( 0.170 0.000 0.292) 0.337 9.403 ( -0.153 0.000 0.237) 0.282 9.721 ( 0.128 0.000 2.399) 2.403 9.724 ( -0.165 0.000 2.479) 2.484 10.040 ( 6.092 0.000 -0.719) 6.134 10.153 ( -5.621 0.000 -2.665) 6.220 10.352 ( 10.474 0.000 2.314) 10.726 10.503 ( -1.528 0.000 -0.472) 1.599 10.607 ( -0.500 0.000 0.371) 0.623 10.650 ( -7.951 0.000 5.996) 9.958 10.956 ( 17.176 0.000 -3.133) 17.459 10.968 ( 2.662 0.000 -2.743) 3.823 11.019 ( -2.730 0.000 -3.864) 4.731 11.183 ( -6.318 0.000 2.304) 6.725 11.328 ( 4.975 0.000 5.234) 7.222 11.516 ( -15.832 0.000 4.858) 16.560 12.618 ( 1.967 0.000 4.756) 5.147 12.650 ( -1.135 0.000 4.284) 4.432 12.967 ( 10.386 0.000 -3.314) 10.901 13.113 ( -5.168 0.000 -1.908) 5.509 13.277 ( 4.144 0.000 0.445) 4.168 13.385 ( -7.046 0.000 -1.263) 7.158======================= Grid point 75 (28/60) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.000 12.253 17.183) 21.104 1.077 ( 0.000 8.164 23.758) 25.122 1.814 ( 0.000 26.670 26.078) 37.301 2.004 ( 0.000 1.539 -5.761) 5.963 2.012 ( 0.000 3.567 4.301) 5.588 2.073 ( 0.000 5.001 4.035) 6.426 2.175 ( 0.000 -1.248 4.259) 4.438 2.176 ( 0.000 9.621 3.766) 10.332 2.347 ( 0.000 16.956 3.378) 17.289 2.417 ( 0.000 8.628 -1.793) 8.813 2.575 ( 0.000 -5.045 4.185) 6.555 2.819 ( 0.000 1.536 -6.490) 6.669 2.978 ( 0.000 -2.073 -3.460) 4.033 3.052 ( 0.000 0.762 1.103) 1.341 3.144 ( 0.000 0.321 -4.302) 4.314 3.193 ( 0.000 1.164 -4.287) 4.442 3.264 ( 0.000 -3.503 -1.454) 3.792 3.355 ( 0.000 -3.614 -0.266) 3.624 3.382 ( 0.000 -0.900 -1.822) 2.032 3.505 ( 0.000 -0.692 2.273) 2.376 3.516 ( 0.000 -5.889 -3.770) 6.992 3.546 ( 0.000 -5.488 -2.896) 6.206 3.628 ( 0.000 -3.858 -7.125) 8.102 3.678 ( 0.000 -2.034 -3.185) 3.779 3.834 ( 0.000 1.122 -0.235) 1.147 3.840 ( 0.000 -1.708 -1.321) 2.160 3.864 ( 0.000 -5.512 1.003) 5.602 4.027 ( 0.000 4.344 3.076) 5.323 4.029 ( 0.000 0.914 -1.840) 2.055 4.040 ( 0.000 -1.669 1.004) 1.948 4.195 ( 0.000 8.614 -7.847) 11.652 4.196 ( 0.000 2.282 -2.587) 3.449 4.498 ( 0.000 13.278 -5.303) 14.298 4.517 ( 0.000 9.786 -2.327) 10.059 4.639 ( 0.000 -1.791 4.568) 4.906 4.732 ( 0.000 -0.122 1.640) 1.645 4.879 ( 0.000 1.585 -2.230) 2.736 4.923 ( 0.000 -5.949 -3.270) 6.789 4.961 ( 0.000 -2.205 3.704) 4.311 4.993 ( 0.000 0.168 0.422) 0.454 5.029 ( 0.000 -1.348 -4.752) 4.939 5.182 ( 0.000 -0.307 1.581) 1.611 5.212 ( 0.000 -1.521 -1.551) 2.172 5.410 ( 0.000 7.297 2.348) 7.666 5.474 ( 0.000 -0.499 -2.033) 2.093 5.501 ( 0.000 -1.752 -2.929) 3.413 5.623 ( 0.000 -10.129 -1.548) 10.247 5.633 ( 0.000 -9.524 0.327) 9.530 5.753 ( 0.000 -8.929 0.912) 8.976 5.794 ( 0.000 8.142 -4.222) 9.172 6.058 ( 0.000 -4.326 1.286) 4.513 6.071 ( 0.000 1.208 -0.425) 1.281 6.137 ( 0.000 -3.824 2.953) 4.831 6.264 ( 0.000 -2.353 1.101) 2.598 6.387 ( 0.000 -1.886 -2.490) 3.124 6.390 ( 0.000 1.825 -3.723) 4.147 6.474 ( 0.000 4.005 -3.847) 5.553 6.815 ( 0.000 14.225 -8.018) 16.329 7.022 ( 0.000 -0.876 -0.900) 1.256 7.097 ( 0.000 -1.405 -3.423) 3.700 7.140 ( 0.000 7.220 0.776) 7.262 7.558 ( 0.000 -0.673 -3.060) 3.133 7.565 ( 0.000 3.095 -7.834) 8.423 7.732 ( 0.000 -5.868 -4.040) 7.124 7.747 ( 0.000 -9.641 3.458) 10.243 7.858 ( 0.000 -1.303 -0.765) 1.511 7.884 ( 0.000 -5.709 3.182) 6.536 8.154 ( 0.000 -4.278 -3.054) 5.257 8.239 ( 0.000 8.480 2.042) 8.723 8.386 ( 0.000 1.152 1.506) 1.896 8.686 ( 0.000 -4.378 0.214) 4.384 8.755 ( 0.000 -2.126 -4.922) 5.362 9.015 ( 0.000 1.129 2.412) 2.664 9.215 ( 0.000 -0.002 -0.742) 0.742 9.428 ( 0.000 0.559 -0.342) 0.655 9.478 ( 0.000 4.547 -0.413) 4.566 9.801 ( 0.000 6.473 2.286) 6.865 9.872 ( 0.000 5.427 -0.500) 5.450 10.003 ( 0.000 14.392 -2.202) 14.560 10.156 ( 0.000 1.245 0.816) 1.488 10.169 ( 0.000 -0.253 -0.749) 0.790 10.327 ( 0.000 2.182 -4.435) 4.942 10.585 ( 0.000 -0.019 -0.238) 0.239 10.678 ( 0.000 5.215 -1.760) 5.504 10.887 ( 0.000 -2.131 -1.106) 2.401 10.914 ( 0.000 -3.751 7.810) 8.664 11.030 ( 0.000 -3.062 -1.963) 3.637 11.272 ( 0.000 2.202 4.728) 5.216 11.358 ( 0.000 7.484 3.821) 8.403 12.050 ( 0.000 -3.948 24.720) 25.033 12.317 ( 0.000 -10.732 -16.318) 19.531 12.593 ( 0.000 -0.182 4.662) 4.665 12.826 ( 0.000 5.244 1.102) 5.359 13.189 ( 0.000 1.582 1.770) 2.374 13.249 ( 0.000 1.077 -1.222) 1.629 13.399 ( 0.000 -12.364 -2.980) 12.718======================= Grid point 76 (29/60) =======================q-point: ( 0.20 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 12.246 9.999 14.868) 21.702 1.156 ( 8.264 7.178 21.884) 24.469 1.834 ( -11.641 6.548 10.084) 16.736 1.884 ( 5.380 20.337 19.786) 28.879 1.962 ( -9.971 2.109 1.119) 10.253 2.043 ( -0.137 7.717 1.998) 7.973 2.147 ( -0.538 7.524 4.449) 8.758 2.305 ( 0.733 13.430 1.147) 13.499 2.318 ( 9.568 -0.852 2.431) 9.909 2.522 ( 6.005 6.506 -3.960) 9.699 2.598 ( 1.825 -2.764 1.638) 3.695 2.815 ( -0.402 3.640 -5.826) 6.881 2.952 ( -2.814 -0.275 -3.959) 4.866 3.066 ( -1.830 -0.196 -4.516) 4.876 3.100 ( -2.030 0.499 -3.266) 3.878 3.185 ( 0.132 4.788 -0.656) 4.835 3.241 ( -1.107 -4.323 1.219) 4.626 3.347 ( -3.254 -3.038 -4.579) 6.386 3.360 ( -0.943 -1.253 1.742) 2.344 3.465 ( -3.788 -2.978 -4.471) 6.574 3.479 ( -3.539 -7.361 -0.320) 8.174 3.496 ( -2.682 0.559 -0.750) 2.840 3.609 ( -1.149 0.481 -0.590) 1.378 3.723 ( 2.050 -3.667 -5.655) 7.045 3.765 ( -0.579 -3.942 2.637) 4.778 3.913 ( 0.809 -1.260 -1.383) 2.038 3.924 ( 3.738 0.553 -2.194) 4.369 3.985 ( 3.188 0.006 3.888) 5.028 4.045 ( -0.210 2.234 -1.155) 2.523 4.117 ( 1.644 -4.124 -2.017) 4.877 4.157 ( 1.965 -0.206 -1.355) 2.395 4.285 ( 5.143 8.364 -3.802) 10.529 4.497 ( -0.235 12.069 -5.106) 13.106 4.521 ( -0.315 10.183 -0.656) 10.209 4.618 ( -1.382 -4.635 1.016) 4.942 4.734 ( 0.252 0.082 0.573) 0.632 4.851 ( -3.860 0.301 -2.257) 4.481 4.898 ( -2.620 -1.608 0.034) 3.074 4.927 ( 0.534 -3.078 -3.579) 4.751 4.984 ( -1.116 2.518 -3.108) 4.153 5.101 ( 3.374 -1.566 0.934) 3.836 5.160 ( 0.177 -0.679 1.088) 1.294 5.221 ( -0.232 -1.724 -1.522) 2.312 5.369 ( -3.636 3.158 -0.203) 4.820 5.436 ( -2.662 -2.025 0.715) 3.420 5.506 ( 1.993 3.141 -0.743) 3.794 5.628 ( -3.003 -7.334 -3.333) 8.597 5.649 ( -0.424 -7.300 3.194) 7.980 5.770 ( 5.708 -1.787 -5.823) 8.348 5.840 ( 2.813 -1.890 -2.626) 4.287 6.023 ( -2.203 -1.133 1.786) 3.054 6.074 ( -0.166 -1.628 0.537) 1.723 6.152 ( 1.142 -3.331 2.929) 4.580 6.247 ( -1.513 -3.225 0.221) 3.569 6.400 ( 0.752 2.700 -3.714) 4.653 6.405 ( 1.682 -1.290 -2.812) 3.521 6.463 ( -1.034 4.155 -4.000) 5.859 6.689 ( -10.376 8.811 -6.701) 15.172 7.024 ( 1.170 1.821 -1.578) 2.679 7.107 ( 0.346 -0.516 -1.834) 1.937 7.162 ( 1.737 6.011 -0.657) 6.292 7.485 ( -7.460 2.617 -5.253) 9.492 7.589 ( 3.066 -1.439 -2.936) 4.482 7.716 ( 0.076 -6.463 -1.151) 6.565 7.802 ( 2.566 -7.770 1.430) 8.307 7.851 ( -0.346 -1.332 -1.342) 1.922 7.941 ( 5.018 -5.464 1.999) 7.683 8.154 ( 0.030 -4.847 -2.353) 5.388 8.280 ( 3.203 7.523 1.802) 8.372 8.397 ( 1.043 2.744 1.790) 3.438 8.615 ( -4.960 -1.584 0.579) 5.239 8.745 ( -2.327 -2.521 -4.867) 5.955 9.027 ( 1.541 0.860 2.817) 3.324 9.192 ( -2.302 -0.354 -0.055) 2.329 9.426 ( -0.034 0.925 -0.351) 0.990 9.466 ( -1.135 4.363 -0.587) 4.546 9.798 ( -0.277 6.143 2.419) 6.607 9.846 ( -3.227 9.075 -0.177) 9.633 9.964 ( 2.442 2.125 1.529) 3.580 10.203 ( 4.749 3.352 -0.649) 5.849 10.276 ( -1.435 0.622 -2.400) 2.865 10.415 ( 11.804 2.110 -3.928) 12.618 10.652 ( 8.944 0.874 -2.506) 9.330 10.662 ( -1.494 3.779 -1.142) 4.221 10.824 ( -7.770 -3.104 7.195) 11.036 10.917 ( 1.792 -1.167 -0.644) 2.233 11.017 ( -1.277 -3.032 -2.636) 4.216 11.293 ( 1.700 2.952 4.176) 5.389 11.331 ( -2.509 6.287 4.472) 8.113 11.808 ( -17.379 -3.754 9.974) 20.386 12.507 ( 11.102 -8.816 -0.905) 14.206 12.608 ( 1.601 -0.639 4.415) 4.740 12.837 ( 2.185 4.574 -0.097) 5.069 13.181 ( -1.555 0.901 0.477) 1.859 13.242 ( -0.184 0.383 -0.561) 0.704 13.372 ( -2.740 -9.933 -1.793) 10.458======================= Grid point 77 (30/60) =======================q-point: ( 0.40 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 12.615 8.552 15.314) 21.605 1.390 ( 16.445 4.817 14.165) 22.233 1.588 ( -13.672 6.586 12.381) 19.586 1.702 ( -16.374 5.042 8.462) 19.109 1.993 ( 4.043 8.964 8.383) 12.922 2.038 ( -1.159 6.241 3.485) 7.242 2.203 ( 6.647 12.671 8.160) 16.472 2.310 ( -2.607 13.623 3.212) 14.237 2.481 ( 7.521 -3.922 -0.859) 8.526 2.581 ( -2.614 -5.262 -0.863) 5.939 2.656 ( 7.407 6.651 -7.249) 12.314 2.794 ( -4.141 8.291 -4.924) 10.495 2.889 ( -1.510 2.326 -6.098) 6.699 2.945 ( -6.064 3.838 -8.846) 11.391 3.152 ( 3.800 -0.360 0.410) 3.839 3.192 ( -0.090 1.776 0.962) 2.022 3.241 ( 1.264 -1.807 1.558) 2.700 3.285 ( -3.142 -1.698 0.361) 3.590 3.332 ( -1.207 -1.835 -2.910) 3.646 3.371 ( -4.618 -4.058 -4.017) 7.344 3.440 ( -0.809 -2.411 -0.416) 2.577 3.450 ( -1.600 0.230 2.946) 3.360 3.621 ( 2.179 0.164 -1.600) 2.709 3.686 ( -4.287 0.595 -2.828) 5.170 3.836 ( 6.334 -6.295 3.682) 9.659 3.923 ( -1.086 -4.236 1.552) 4.640 3.960 ( 1.575 0.131 -1.241) 2.009 4.002 ( -2.648 2.945 -2.177) 4.519 4.088 ( 3.507 -1.867 0.942) 4.083 4.115 ( -0.175 -5.681 -1.092) 5.787 4.240 ( 5.502 -0.266 0.030) 5.508 4.328 ( -2.002 7.071 0.570) 7.371 4.488 ( -0.057 9.122 -1.080) 9.186 4.502 ( -0.965 7.569 -2.239) 7.952 4.626 ( 2.156 -5.263 -5.729) 8.073 4.698 ( -5.021 -3.154 -2.267) 6.348 4.811 ( 2.065 4.966 -3.841) 6.609 4.864 ( -2.424 1.827 -1.788) 3.523 4.939 ( 0.713 1.256 -3.574) 3.854 4.955 ( -0.948 0.092 -4.627) 4.724 5.143 ( 1.655 -0.214 0.859) 1.877 5.182 ( -2.920 -0.562 -0.941) 3.119 5.215 ( 4.415 -0.776 1.477) 4.720 5.298 ( -4.079 -0.214 0.986) 4.202 5.435 ( 2.133 -2.643 0.140) 3.399 5.497 ( -3.988 -0.037 -0.616) 4.036 5.587 ( 1.978 -0.703 0.569) 2.175 5.637 ( -2.348 0.432 -0.994) 2.586 5.849 ( 3.046 -1.678 -3.170) 4.705 5.884 ( 0.166 -7.936 -4.229) 8.994 6.020 ( 2.211 -2.043 1.226) 3.250 6.061 ( -1.454 -1.863 0.921) 2.536 6.174 ( 1.632 -2.191 1.369) 3.056 6.214 ( -2.169 -3.858 -0.592) 4.466 6.413 ( 0.987 6.073 -4.511) 7.629 6.439 ( -1.530 5.125 -4.514) 6.999 6.448 ( 2.955 -2.004 -3.138) 4.754 6.527 ( -6.306 1.426 -4.964) 8.152 7.058 ( 2.162 1.621 -2.100) 3.423 7.095 ( -1.604 0.023 -2.551) 3.013 7.220 ( 4.865 5.114 -0.790) 7.103 7.338 ( -7.663 3.299 -2.634) 8.749 7.655 ( 3.601 -3.288 -2.175) 5.339 7.706 ( -1.575 -4.919 -1.081) 5.277 7.829 ( 0.758 -5.339 1.317) 5.551 7.843 ( -0.672 -3.715 -0.417) 3.798 8.044 ( 5.677 -4.938 0.857) 7.572 8.131 ( -3.159 -5.699 -1.233) 6.632 8.336 ( 3.087 6.635 3.638) 8.173 8.392 ( -2.340 5.005 3.915) 6.771 8.588 ( 2.789 -0.216 -2.846) 3.990 8.671 ( -4.994 -0.849 -4.571) 6.823 9.073 ( 3.260 -0.198 2.469) 4.094 9.137 ( -3.430 -0.672 1.331) 3.740 9.430 ( 0.511 1.921 -0.512) 2.052 9.445 ( -1.028 3.287 -0.662) 3.507 9.795 ( 0.024 5.816 2.412) 6.296 9.804 ( -1.174 6.627 1.835) 6.975 10.052 ( 6.006 0.964 -0.907) 6.150 10.166 ( -5.912 0.974 -2.790) 6.609 10.378 ( 9.898 2.376 1.754) 10.329 10.519 ( -0.928 1.350 -0.348) 1.675 10.629 ( -1.790 1.809 0.307) 2.563 10.651 ( -7.017 -0.234 5.323) 8.810 10.915 ( 10.680 -2.347 -3.567) 11.502 10.979 ( 7.602 -0.570 -3.230) 8.280 10.986 ( -0.663 -1.743 -1.593) 2.452 11.215 ( -9.583 2.260 1.191) 9.918 11.365 ( 4.817 3.785 5.274) 8.083 11.516 ( -12.609 0.626 4.869) 13.531 12.617 ( 2.402 -2.132 5.273) 6.174 12.639 ( 0.364 -2.510 4.801) 5.430 12.947 ( 8.969 -0.761 -2.612) 9.372 13.104 ( -6.870 -1.829 -2.027) 7.393 13.261 ( 2.089 -0.773 0.650) 2.320 13.312 ( -3.278 -4.403 0.120) 5.490======================= Grid point 80 (31/60) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.000 18.127 11.981) 21.728 1.310 ( 0.000 15.019 15.293) 21.435 2.050 ( 0.000 3.346 -2.845) 4.392 2.054 ( 0.000 0.815 3.704) 3.793 2.140 ( 0.000 -2.461 5.239) 5.788 2.201 ( 0.000 7.087 2.611) 7.553 2.305 ( 0.000 -0.042 6.362) 6.362 2.408 ( 0.000 26.868 12.167) 29.494 2.465 ( 0.000 -3.432 6.283) 7.159 2.543 ( 0.000 -0.911 -1.159) 1.474 2.709 ( 0.000 -2.721 -2.920) 3.991 2.739 ( 0.000 14.273 -6.370) 15.630 2.955 ( 0.000 -1.894 -1.392) 2.351 3.109 ( 0.000 9.595 3.184) 10.110 3.155 ( 0.000 0.126 1.952) 1.956 3.255 ( 0.000 8.148 -2.100) 8.414 3.267 ( 0.000 -4.273 -0.386) 4.291 3.293 ( 0.000 2.792 -4.988) 5.716 3.399 ( 0.000 -0.484 -3.436) 3.470 3.430 ( 0.000 -1.670 -10.096) 10.233 3.470 ( 0.000 0.824 -2.213) 2.361 3.524 ( 0.000 -6.503 -4.680) 8.012 3.567 ( 0.000 6.746 0.434) 6.760 3.632 ( 0.000 -3.285 -2.573) 4.172 3.731 ( 0.000 -5.869 -1.210) 5.992 3.813 ( 0.000 -2.881 -2.695) 3.945 3.887 ( 0.000 2.666 4.387) 5.134 4.012 ( 0.000 0.941 1.471) 1.746 4.090 ( 0.000 4.009 -0.306) 4.021 4.137 ( 0.000 6.468 -1.746) 6.699 4.255 ( 0.000 4.946 -6.099) 7.853 4.321 ( 0.000 4.285 -5.714) 7.142 4.567 ( 0.000 -0.333 0.375) 0.501 4.619 ( 0.000 -2.900 -2.728) 3.981 4.744 ( 0.000 -10.544 -0.519) 10.557 4.745 ( 0.000 5.978 -0.411) 5.992 4.813 ( 0.000 5.777 4.245) 7.169 4.866 ( 0.000 -7.752 -0.360) 7.760 4.889 ( 0.000 -3.202 4.355) 5.405 4.990 ( 0.000 1.323 -0.458) 1.400 5.055 ( 0.000 3.991 -1.688) 4.334 5.208 ( 0.000 0.825 -2.257) 2.403 5.267 ( 0.000 10.085 -2.058) 10.293 5.364 ( 0.000 -9.417 4.382) 10.387 5.403 ( 0.000 -6.340 0.252) 6.345 5.439 ( 0.000 -2.911 -1.874) 3.462 5.500 ( 0.000 -0.871 -0.955) 1.292 5.577 ( 0.000 -4.542 -0.155) 4.545 5.681 ( 0.000 8.815 1.620) 8.963 5.815 ( 0.000 -7.398 6.513) 9.856 5.988 ( 0.000 -0.264 -3.357) 3.367 6.046 ( 0.000 -2.390 -1.506) 2.825 6.141 ( 0.000 2.405 -1.341) 2.754 6.238 ( 0.000 -0.567 2.898) 2.952 6.325 ( 0.000 -4.893 -3.483) 6.006 6.415 ( 0.000 0.982 -4.551) 4.656 6.520 ( 0.000 0.699 -3.718) 3.783 6.891 ( 0.000 -5.435 -4.252) 6.901 7.003 ( 0.000 -4.810 -1.548) 5.053 7.046 ( 0.000 -3.971 -3.329) 5.182 7.288 ( 0.000 6.418 0.132) 6.419 7.516 ( 0.000 0.359 -3.249) 3.269 7.563 ( 0.000 -6.973 -2.273) 7.334 7.640 ( 0.000 1.005 -7.689) 7.754 7.672 ( 0.000 2.612 -0.036) 2.612 7.806 ( 0.000 -2.446 -0.925) 2.615 7.816 ( 0.000 -2.479 -2.949) 3.852 8.063 ( 0.000 -5.009 -5.144) 7.180 8.372 ( 0.000 4.750 -1.238) 4.908 8.405 ( 0.000 0.967 2.596) 2.770 8.641 ( 0.000 -0.154 -0.651) 0.669 8.725 ( 0.000 -0.836 -4.547) 4.623 9.074 ( 0.000 4.911 2.733) 5.620 9.284 ( 0.000 6.127 0.130) 6.129 9.405 ( 0.000 -2.179 0.555) 2.248 9.550 ( 0.000 2.348 -0.259) 2.362 9.927 ( 0.000 5.140 2.610) 5.764 9.929 ( 0.000 2.066 1.521) 2.565 10.123 ( 0.000 -0.320 1.676) 1.706 10.141 ( 0.000 -2.326 -0.433) 2.366 10.342 ( 0.000 11.408 -9.591) 14.904 10.383 ( 0.000 3.026 -3.610) 4.710 10.583 ( 0.000 -0.288 -1.454) 1.482 10.783 ( 0.000 -2.360 -2.246) 3.258 10.851 ( 0.000 -0.762 -0.030) 0.762 10.875 ( 0.000 8.105 -0.231) 8.108 10.978 ( 0.000 -2.379 0.348) 2.404 11.334 ( 0.000 3.963 6.552) 7.657 11.527 ( 0.000 8.804 5.312) 10.283 11.949 ( 0.000 -5.203 20.101) 20.764 12.020 ( 0.000 -18.418 -12.588) 22.309 12.494 ( 0.000 -11.068 6.145) 12.660 12.971 ( 0.000 8.926 0.923) 8.973 13.185 ( 0.000 -2.817 -0.568) 2.874 13.227 ( 0.000 1.830 1.799) 2.566 13.311 ( 0.000 0.478 0.059) 0.482======================= Grid point 81 (32/60) =======================q-point: ( 0.20 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 5.403 12.243 13.575) 19.062 1.411 ( 8.349 17.049 12.541) 22.752 1.944 ( -8.834 5.012 9.180) 13.690 1.963 ( -9.089 0.767 0.015) 9.122 2.117 ( -1.219 1.483 1.810) 2.639 2.236 ( -2.962 -0.769 1.384) 3.358 2.315 ( 3.661 -1.454 5.303) 6.606 2.409 ( 0.554 12.366 7.835) 14.650 2.522 ( 4.086 10.961 7.566) 13.931 2.575 ( 5.053 5.053 -1.935) 7.403 2.643 ( -2.537 3.796 -6.056) 7.584 2.823 ( 5.698 1.365 -3.762) 6.963 2.977 ( 0.690 -0.319 -2.974) 3.070 3.143 ( 1.420 4.447 1.640) 4.948 3.162 ( -0.456 4.424 -2.534) 5.119 3.202 ( -2.089 2.119 0.731) 3.064 3.248 ( -0.871 7.451 0.179) 7.504 3.315 ( -2.435 0.650 -6.219) 6.710 3.327 ( -2.244 -2.693 -4.317) 5.561 3.400 ( -3.462 -0.427 -4.476) 5.674 3.468 ( 0.368 4.557 -2.390) 5.159 3.547 ( -0.839 3.536 1.163) 3.816 3.604 ( 0.838 -3.870 -3.362) 5.194 3.623 ( 5.648 -3.611 -2.136) 7.036 3.703 ( -3.525 -1.648 2.926) 4.869 3.842 ( 4.515 -3.792 -2.493) 6.401 3.937 ( 0.575 -0.227 -1.219) 1.367 4.007 ( -2.047 2.746 0.177) 3.430 4.089 ( 2.957 3.652 2.531) 5.337 4.143 ( -1.390 4.944 -3.277) 6.092 4.176 ( -2.216 2.237 -2.222) 3.854 4.412 ( 4.883 4.017 -5.825) 8.597 4.525 ( -3.574 -2.717 -0.835) 4.567 4.589 ( -2.677 -2.456 -2.075) 4.184 4.658 ( -6.001 -1.725 1.114) 6.343 4.785 ( -0.373 -3.055 2.814) 4.170 4.816 ( 0.889 2.263 -3.018) 3.875 4.859 ( 1.517 -3.867 -1.153) 4.311 4.925 ( 2.282 4.309 1.250) 5.034 5.004 ( 1.595 -5.378 1.935) 5.934 5.081 ( 2.469 3.394 -0.852) 4.283 5.215 ( 0.120 1.533 -1.935) 2.471 5.236 ( -1.743 9.551 -1.442) 9.815 5.351 ( -1.652 -4.978 1.659) 5.501 5.390 ( -1.533 -3.371 1.185) 3.888 5.452 ( -2.108 -3.479 2.280) 4.663 5.504 ( 2.632 -3.299 -3.029) 5.195 5.599 ( 2.462 -2.492 0.038) 3.504 5.693 ( 1.816 2.481 0.887) 3.200 5.847 ( 2.453 -4.469 3.621) 6.253 5.986 ( -0.197 -0.851 -2.487) 2.636 6.029 ( -1.721 -2.011 -0.887) 2.792 6.149 ( 0.740 1.740 -0.726) 2.025 6.220 ( -1.483 0.869 2.362) 2.921 6.340 ( 1.706 -4.574 -3.781) 6.174 6.425 ( 0.796 -0.217 -3.952) 4.037 6.514 ( -0.613 0.787 -4.138) 4.257 6.785 ( -10.530 1.341 -6.551) 12.474 6.983 ( 0.129 -9.022 0.131) 9.024 7.050 ( -0.674 -5.668 -1.943) 6.030 7.296 ( 0.886 5.900 0.255) 5.971 7.493 ( -3.295 0.646 -1.160) 3.553 7.580 ( -0.983 -3.393 -4.036) 5.364 7.621 ( 3.088 -1.052 -5.119) 6.070 7.695 ( 1.161 1.156 -0.071) 1.640 7.793 ( -2.085 -2.738 -1.244) 3.659 7.875 ( 5.365 -3.000 -4.097) 7.387 8.056 ( -0.672 -5.002 -5.239) 7.275 8.396 ( 2.075 3.795 0.805) 4.400 8.443 ( 3.679 2.133 0.718) 4.313 8.604 ( -3.180 0.702 -0.198) 3.262 8.709 ( -1.831 -1.170 -4.192) 4.722 9.088 ( 1.558 5.451 2.634) 6.251 9.258 ( -2.690 6.474 0.564) 7.033 9.416 ( 1.262 -1.687 0.027) 2.107 9.538 ( -1.363 2.370 -0.469) 2.774 9.907 ( -1.270 3.886 1.990) 4.547 9.964 ( 2.769 2.651 0.643) 3.888 10.020 ( -4.647 3.363 -0.786) 5.790 10.222 ( 2.232 -1.873 -1.244) 3.168 10.327 ( 0.892 4.171 -2.085) 4.748 10.465 ( 5.469 1.987 -3.451) 6.765 10.646 ( 5.500 -0.971 -2.891) 6.289 10.742 ( -4.135 -2.854 0.456) 5.045 10.797 ( -1.749 5.549 -0.878) 5.884 10.913 ( 1.908 2.957 -0.293) 3.532 10.969 ( -0.702 -1.768 -0.987) 2.143 11.362 ( 1.376 3.397 4.900) 6.119 11.469 ( -5.430 6.028 5.586) 9.850 11.733 ( -10.789 -1.382 5.030) 11.984 12.244 ( 12.166 -16.491 2.910) 20.698 12.499 ( 0.327 -11.789 6.289) 13.365 12.975 ( 0.673 8.722 0.481) 8.762 13.156 ( -2.918 -1.018 -0.812) 3.195 13.239 ( 1.032 1.022 1.458) 2.058 13.304 ( -0.731 0.261 0.118) 0.785======================= Grid point 82 (33/60) =======================q-point: ( 0.40 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 11.974 6.265 12.161) 18.180 1.589 ( 10.338 14.721 11.194) 21.187 1.728 ( -13.047 3.497 8.882) 16.166 1.789 ( -10.334 8.904 7.631) 15.631 2.101 ( 0.467 -1.070 1.213) 1.683 2.148 ( -4.478 -1.443 1.536) 4.950 2.384 ( 2.643 -2.333 3.077) 4.679 2.411 ( -0.569 2.153 3.592) 4.226 2.590 ( 2.815 12.966 2.680) 13.536 2.611 ( -0.074 8.367 -3.125) 8.932 2.740 ( 9.399 4.083 -4.877) 11.349 2.881 ( -3.294 2.941 -5.126) 6.766 2.983 ( 3.239 1.929 -3.097) 4.879 3.078 ( -5.382 -0.663 -2.091) 5.812 3.163 ( 1.089 0.406 0.529) 1.277 3.196 ( -1.965 2.326 -2.511) 3.947 3.240 ( 0.772 5.221 -2.196) 5.716 3.273 ( -1.519 6.152 -0.606) 6.366 3.307 ( -0.018 1.179 -3.637) 3.824 3.335 ( -2.796 2.799 -4.323) 5.860 3.491 ( 1.751 6.361 1.235) 6.712 3.520 ( -1.592 4.886 2.631) 5.773 3.637 ( 1.967 -2.551 -2.104) 3.848 3.668 ( -1.048 -3.380 0.873) 3.644 3.738 ( 6.364 -1.390 -1.148) 6.615 3.857 ( -6.123 2.273 -1.613) 6.728 3.930 ( 4.951 -3.768 1.404) 6.378 4.005 ( -1.170 -1.404 2.759) 3.309 4.071 ( -2.206 0.842 -0.880) 2.520 4.088 ( -2.306 4.837 -2.227) 5.803 4.278 ( 8.620 1.968 -0.438) 8.853 4.417 ( -4.631 -0.150 -3.158) 5.607 4.476 ( -1.201 -4.284 -2.633) 5.170 4.508 ( -4.930 -4.433 -3.575) 7.533 4.631 ( 3.770 1.236 -0.710) 4.031 4.718 ( -4.785 1.917 1.012) 5.253 4.865 ( 2.624 -5.021 -3.658) 6.744 4.888 ( 0.457 -3.530 -3.026) 4.672 4.971 ( 2.832 6.755 -0.400) 7.335 5.016 ( -1.232 -0.106 1.522) 1.961 5.138 ( 3.727 3.537 -0.360) 5.151 5.201 ( -2.315 3.955 -1.195) 4.736 5.236 ( 2.289 3.841 1.259) 4.645 5.306 ( -4.846 0.049 1.392) 5.043 5.352 ( 1.540 -4.186 0.044) 4.460 5.405 ( -3.495 -4.351 0.707) 5.626 5.562 ( 3.406 -1.354 1.014) 3.803 5.611 ( -1.469 0.547 2.197) 2.699 5.774 ( 5.785 -4.677 -3.134) 8.072 5.857 ( -2.291 -3.453 -2.032) 4.615 5.988 ( 0.513 -1.081 0.349) 1.246 6.000 ( -0.987 -1.924 0.397) 2.198 6.165 ( 1.240 0.867 0.735) 1.682 6.194 ( -1.491 2.431 1.391) 3.173 6.391 ( 3.633 -3.345 -3.805) 6.235 6.434 ( -0.321 -2.211 -2.911) 3.670 6.508 ( 0.652 1.739 -5.488) 5.794 6.589 ( -8.753 3.684 -6.961) 11.775 7.000 ( 1.317 -9.568 0.240) 9.661 7.027 ( -1.525 -7.860 -0.484) 8.021 7.328 ( 2.817 5.054 0.109) 5.787 7.403 ( -5.113 3.717 -0.132) 6.322 7.607 ( 3.021 -2.645 -4.655) 6.148 7.653 ( -0.772 -1.789 -4.682) 5.071 7.718 ( 1.374 -0.935 0.720) 1.811 7.747 ( -2.176 -3.113 0.315) 3.811 7.971 ( 4.529 -3.881 -5.106) 7.852 8.033 ( -2.131 -4.708 -5.541) 7.577 8.440 ( 2.561 3.865 2.557) 5.295 8.482 ( -1.179 4.343 2.456) 5.126 8.585 ( 2.747 -0.375 -2.614) 3.810 8.656 ( -3.745 -0.892 -3.749) 5.374 9.132 ( 3.068 6.206 2.058) 7.222 9.196 ( -3.676 6.549 1.296) 7.622 9.451 ( 2.460 -0.089 -0.669) 2.551 9.500 ( -2.598 1.632 -0.825) 3.177 9.898 ( 0.604 4.150 1.162) 4.352 9.932 ( -2.972 5.850 -0.521) 6.582 10.062 ( 5.682 -0.375 -1.405) 5.865 10.172 ( -5.665 -0.763 -2.947) 6.431 10.428 ( 8.222 2.314 1.049) 8.606 10.543 ( 1.162 0.667 0.163) 1.349 10.624 ( -5.339 -2.111 3.021) 6.488 10.650 ( -3.439 -0.679 0.327) 3.521 10.906 ( 5.886 2.214 -2.747) 6.862 10.941 ( 0.101 -1.076 -1.864) 2.155 10.985 ( 7.654 -0.144 -1.294) 7.764 11.221 ( -13.438 -2.555 0.053) 13.679 11.485 ( 4.918 8.690 5.799) 11.547 11.587 ( -6.069 7.551 4.859) 10.838 12.420 ( 6.591 -16.379 5.575) 18.515 12.492 ( -1.626 -13.938 6.472) 15.453 13.009 ( 3.178 6.703 -0.736) 7.455 13.085 ( -4.496 2.443 -1.264) 5.271 13.261 ( 1.332 0.495 0.924) 1.695 13.286 ( -1.224 0.146 0.412) 1.300======================= Grid point 85 (34/60) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 0.000 16.778 6.197) 17.886 1.652 ( 0.000 17.515 7.833) 19.187 1.982 ( 0.000 -9.644 1.998) 9.848 2.013 ( 0.000 -11.268 7.445) 13.506 2.128 ( 0.000 3.996 -0.881) 4.092 2.212 ( 0.000 -5.123 3.949) 6.468 2.328 ( 0.000 2.732 2.685) 3.830 2.368 ( 0.000 -5.452 3.490) 6.474 2.420 ( 0.000 2.865 5.389) 6.103 2.570 ( 0.000 -8.296 -2.009) 8.536 2.943 ( 0.000 8.418 -5.898) 10.279 2.971 ( 0.000 18.130 0.151) 18.130 3.021 ( 0.000 4.664 0.498) 4.690 3.191 ( 0.000 0.645 -4.069) 4.120 3.219 ( 0.000 1.154 -1.947) 2.263 3.263 ( 0.000 -0.396 0.580) 0.703 3.322 ( 0.000 -4.706 1.987) 5.108 3.342 ( 0.000 -4.571 -4.159) 6.180 3.367 ( 0.000 4.257 5.757) 7.160 3.404 ( 0.000 0.239 -2.169) 2.182 3.474 ( 0.000 2.688 -5.769) 6.365 3.508 ( 0.000 1.213 -4.314) 4.481 3.579 ( 0.000 -2.135 -3.496) 4.096 3.624 ( 0.000 1.710 -3.884) 4.244 3.737 ( 0.000 -0.409 -2.618) 2.650 3.780 ( 0.000 3.838 -4.207) 5.695 3.951 ( 0.000 4.041 3.917) 5.628 4.010 ( 0.000 -2.089 -0.345) 2.117 4.176 ( 0.000 4.188 -1.343) 4.398 4.224 ( 0.000 0.588 -2.687) 2.750 4.404 ( 0.000 5.008 -3.692) 6.222 4.406 ( 0.000 8.200 -9.157) 12.292 4.511 ( 0.000 -5.597 4.884) 7.428 4.581 ( 0.000 -6.041 6.940) 9.201 4.596 ( 0.000 -0.967 -1.660) 1.921 4.646 ( 0.000 -4.462 -1.451) 4.692 4.753 ( 0.000 -3.087 -4.899) 5.790 4.781 ( 0.000 -4.238 3.022) 5.205 4.914 ( 0.000 2.798 3.983) 4.867 5.002 ( 0.000 -3.603 3.790) 5.229 5.120 ( 0.000 2.760 -2.574) 3.774 5.186 ( 0.000 -4.860 -3.490) 5.983 5.250 ( 0.000 0.134 1.704) 1.709 5.279 ( 0.000 -2.939 1.027) 3.113 5.445 ( 0.000 3.445 2.008) 3.988 5.477 ( 0.000 0.115 0.200) 0.231 5.521 ( 0.000 0.833 3.972) 4.058 5.617 ( 0.000 13.209 -1.551) 13.300 5.643 ( 0.000 -4.021 6.056) 7.270 5.862 ( 0.000 4.848 -2.965) 5.683 5.959 ( 0.000 -8.176 -1.238) 8.269 5.966 ( 0.000 -2.289 -2.883) 3.681 6.178 ( 0.000 0.775 -0.772) 1.094 6.199 ( 0.000 -3.045 -2.153) 3.730 6.309 ( 0.000 7.822 5.702) 9.680 6.439 ( 0.000 0.831 -3.505) 3.602 6.512 ( 0.000 -1.072 -5.099) 5.211 6.630 ( 0.000 -16.789 1.366) 16.845 6.928 ( 0.000 -0.928 -3.908) 4.016 6.959 ( 0.000 -3.755 -3.923) 5.430 7.379 ( 0.000 3.311 -1.083) 3.483 7.445 ( 0.000 -4.118 -1.085) 4.259 7.594 ( 0.000 4.562 -3.581) 5.800 7.650 ( 0.000 -0.934 -6.319) 6.388 7.760 ( 0.000 1.839 -2.871) 3.410 7.774 ( 0.000 -1.422 -3.663) 3.929 7.799 ( 0.000 5.083 -3.803) 6.348 7.944 ( 0.000 -7.180 -4.695) 8.578 8.426 ( 0.000 0.909 0.930) 1.301 8.428 ( 0.000 1.111 -0.998) 1.493 8.667 ( 0.000 2.201 -2.922) 3.658 8.706 ( 0.000 -1.427 -4.399) 4.625 9.194 ( 0.000 6.590 2.461) 7.034 9.310 ( 0.000 -4.507 0.710) 4.562 9.453 ( 0.000 6.857 1.962) 7.132 9.553 ( 0.000 -2.473 0.642) 2.555 9.965 ( 0.000 1.589 2.346) 2.834 9.983 ( 0.000 0.450 3.276) 3.307 10.102 ( 0.000 -0.905 -0.362) 0.974 10.107 ( 0.000 -0.901 1.068) 1.398 10.438 ( 0.000 2.415 -3.257) 4.055 10.463 ( 0.000 1.042 -5.257) 5.360 10.594 ( 0.000 2.583 -5.439) 6.022 10.680 ( 0.000 -5.435 -4.557) 7.093 10.870 ( 0.000 2.301 0.653) 2.392 10.923 ( 0.000 -2.724 1.488) 3.104 11.154 ( 0.000 16.659 -5.751) 17.624 11.396 ( 0.000 -1.220 4.802) 4.954 11.620 ( 0.000 -1.282 11.005) 11.079 11.661 ( 0.000 -13.495 -3.630) 13.975 11.952 ( 0.000 8.318 9.453) 12.592 12.210 ( 0.000 -15.507 6.586) 16.847 13.145 ( 0.000 7.518 0.394) 7.528 13.196 ( 0.000 1.633 -0.132) 1.638 13.249 ( 0.000 0.454 1.708) 1.767 13.289 ( 0.000 -2.984 0.889) 3.114======================= Grid point 86 (35/60) =======================q-point: ( 0.20 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -0.251 15.056 6.778) 16.513 1.749 ( 5.493 12.668 6.886) 15.430 1.924 ( -2.028 -5.873 6.163) 8.752 1.993 ( -9.632 1.719 3.402) 10.359 2.077 ( -2.840 -3.927 -0.649) 4.890 2.170 ( 1.641 -11.570 4.804) 12.634 2.254 ( -4.738 6.011 3.700) 8.501 2.391 ( -0.506 -5.884 7.250) 9.351 2.554 ( 10.461 0.997 -0.097) 10.509 2.629 ( 4.991 -5.083 -1.353) 7.251 2.859 ( -5.304 10.897 -4.085) 12.789 2.993 ( -2.436 0.906 -0.928) 2.760 3.038 ( 3.497 13.330 -2.717) 14.046 3.170 ( -2.129 3.904 -1.727) 4.770 3.201 ( -1.353 0.735 -3.242) 3.590 3.259 ( -1.095 0.383 -0.824) 1.423 3.290 ( -2.791 -2.853 -6.006) 7.211 3.352 ( 0.638 -1.617 3.242) 3.678 3.393 ( 2.732 3.782 3.787) 6.009 3.414 ( -2.718 -2.127 -8.026) 8.736 3.448 ( 2.798 -0.400 1.506) 3.203 3.502 ( -0.854 -5.826 0.039) 5.888 3.587 ( 1.793 4.162 -4.236) 6.203 3.689 ( 1.279 -0.010 -5.807) 5.946 3.752 ( 3.243 5.885 -3.089) 7.395 3.834 ( 6.064 6.053 -2.102) 8.822 3.939 ( 0.359 1.696 1.373) 2.211 4.082 ( 5.735 -2.257 0.387) 6.175 4.139 ( -3.041 4.382 -0.809) 5.394 4.207 ( -2.720 -0.485 -3.142) 4.184 4.293 ( -5.920 9.364 -5.303) 12.282 4.422 ( -0.893 -0.767 -4.737) 4.881 4.479 ( -6.172 -5.518 2.129) 8.548 4.560 ( -2.209 -0.604 6.777) 7.154 4.591 ( 0.053 2.430 -1.735) 2.986 4.661 ( -0.118 -10.862 -0.941) 10.903 4.727 ( 1.303 -0.737 -2.098) 2.577 4.817 ( 1.836 -7.143 1.818) 7.596 4.895 ( -1.561 2.169 2.840) 3.899 4.980 ( -2.067 -4.644 4.825) 7.009 5.146 ( 3.561 4.276 -2.210) 5.987 5.215 ( 2.260 -2.558 -2.852) 4.448 5.289 ( 2.041 -0.063 1.315) 2.429 5.314 ( 2.931 -2.535 0.683) 3.935 5.430 ( -1.091 5.538 2.724) 6.267 5.459 ( 0.134 1.755 0.107) 1.763 5.531 ( -0.250 0.967 1.200) 1.561 5.629 ( 1.294 1.865 2.315) 3.242 5.658 ( 1.744 4.979 2.113) 5.683 5.846 ( -1.738 2.609 -3.196) 4.477 5.948 ( -1.758 -3.122 -3.013) 4.681 5.951 ( -0.915 -7.764 -1.382) 7.939 6.180 ( 0.926 2.146 -0.286) 2.354 6.237 ( 3.151 -4.229 -1.837) 5.585 6.310 ( -0.019 7.963 5.207) 9.515 6.422 ( -1.874 -0.436 -2.801) 3.398 6.509 ( 0.216 -0.062 -5.324) 5.329 6.656 ( 2.647 -15.152 0.894) 15.408 6.845 ( -7.784 1.298 -4.035) 8.863 6.923 ( -3.884 -5.956 -2.933) 7.692 7.382 ( 0.759 3.453 -0.515) 3.572 7.455 ( 1.492 -4.487 -0.891) 4.812 7.579 ( -2.858 4.706 -0.845) 5.571 7.645 ( -1.023 -1.005 -3.399) 3.689 7.750 ( 0.338 2.220 -3.981) 4.571 7.806 ( 2.173 1.150 -5.942) 6.430 7.811 ( 1.568 1.214 -4.969) 5.350 7.943 ( -0.154 -6.603 -5.037) 8.306 8.447 ( 2.418 1.868 0.445) 3.088 8.468 ( 3.680 0.013 -1.013) 3.817 8.639 ( -2.764 2.436 -2.149) 4.265 8.683 ( -2.328 -1.753 -3.668) 4.685 9.221 ( 2.731 7.163 1.957) 7.912 9.337 ( 2.672 -3.534 0.031) 4.430 9.428 ( -2.450 6.688 1.969) 7.390 9.537 ( -1.866 -2.962 0.601) 3.552 9.953 ( -0.913 1.352 0.906) 1.866 9.975 ( 1.034 -0.801 1.092) 1.704 10.093 ( -0.899 3.843 -1.271) 4.146 10.166 ( 1.959 -3.427 -0.624) 3.997 10.405 ( -0.254 3.682 -2.254) 4.325 10.466 ( 0.859 -1.960 -2.339) 3.170 10.632 ( 1.853 0.299 -2.961) 3.506 10.669 ( -1.743 -3.242 -1.774) 4.086 10.876 ( 1.518 2.697 -0.967) 3.242 10.922 ( 0.306 -2.102 0.524) 2.188 11.094 ( -5.014 11.966 -2.976) 13.311 11.317 ( -9.302 -8.956 0.845) 12.940 11.597 ( 4.802 9.886 7.381) 13.239 11.803 ( 5.787 -1.625 1.629) 6.227 11.963 ( 2.340 -2.151 9.281) 9.810 12.199 ( -1.370 -16.357 6.529) 17.666 13.146 ( 0.220 7.540 0.339) 7.551 13.191 ( -0.512 2.647 -0.164) 2.701 13.249 ( 0.002 -0.330 1.359) 1.399 13.281 ( -0.832 -3.002 0.685) 3.189======================= Grid point 87 (36/60) =======================q-point: ( 0.40 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 5.969 10.059 6.188) 13.233 1.799 ( -9.838 5.139 5.158) 12.239 1.825 ( 2.951 -1.339 5.211) 6.137 1.894 ( -3.583 -0.957 7.658) 8.509 2.037 ( 3.229 3.845 0.429) 5.039 2.145 ( -6.673 8.709 3.942) 11.659 2.267 ( 5.839 -11.183 5.429) 13.735 2.355 ( -3.415 -8.703 6.501) 11.387 2.709 ( 3.833 1.916 -2.430) 4.926 2.747 ( 9.158 -1.362 -1.257) 9.344 2.775 ( -3.207 7.690 -3.605) 9.079 2.908 ( -7.102 -4.543 -2.207) 8.715 3.095 ( 3.072 8.669 -4.248) 10.130 3.140 ( -1.343 7.743 -1.862) 8.077 3.185 ( 0.021 -0.211 -5.315) 5.319 3.221 ( -3.497 0.394 -7.462) 8.250 3.257 ( 1.337 2.403 1.109) 2.966 3.311 ( -4.205 3.759 -1.768) 5.911 3.421 ( 3.170 -7.385 3.260) 8.672 3.461 ( 3.443 0.736 -1.390) 3.786 3.476 ( -1.025 -3.155 4.110) 5.282 3.516 ( 1.188 2.643 -3.381) 4.453 3.593 ( 0.398 -0.845 -1.662) 1.907 3.652 ( -3.905 -1.735 -3.676) 5.636 3.860 ( 7.596 9.652 -4.545) 13.096 3.957 ( 3.223 13.175 -1.447) 13.641 3.999 ( 3.943 0.394 -2.179) 4.522 4.056 ( -0.082 6.492 -0.595) 6.519 4.101 ( -5.484 3.320 -0.887) 6.472 4.186 ( -4.382 2.629 -3.244) 6.053 4.244 ( 4.332 -4.625 -2.633) 6.862 4.340 ( -6.387 -6.907 -2.184) 9.658 4.419 ( 1.463 2.774 -0.991) 3.289 4.491 ( -5.034 2.585 1.791) 5.935 4.594 ( 1.074 -7.454 3.295) 8.221 4.630 ( -2.332 -10.026 1.602) 10.417 4.784 ( 3.073 0.008 -2.428) 3.916 4.829 ( -1.467 1.049 1.744) 2.509 4.889 ( 1.979 -7.072 2.972) 7.922 4.936 ( -2.533 -6.757 4.845) 8.692 5.235 ( 4.984 2.808 -1.675) 5.961 5.262 ( 2.654 -0.072 -1.176) 2.904 5.301 ( -1.047 1.052 0.593) 1.598 5.315 ( -2.087 -0.443 -0.342) 2.161 5.424 ( 0.657 7.526 1.051) 7.627 5.456 ( -2.192 11.353 1.212) 11.626 5.566 ( 4.746 -3.037 1.150) 5.751 5.634 ( -1.654 -5.924 4.532) 7.639 5.714 ( 4.224 7.993 -2.782) 9.459 5.795 ( -3.865 1.808 -3.616) 5.593 5.918 ( -0.704 -5.952 -2.740) 6.590 5.928 ( -1.339 -7.854 -1.812) 8.171 6.218 ( 3.038 4.245 0.890) 5.295 6.270 ( -1.411 3.337 1.726) 4.013 6.321 ( 2.476 -2.937 -0.150) 3.844 6.375 ( -2.921 -3.586 -1.585) 4.889 6.548 ( 4.594 4.401 -4.745) 7.937 6.672 ( -7.238 4.823 -4.337) 9.719 6.737 ( 3.268 -12.953 0.551) 13.370 6.830 ( -5.561 -9.989 -1.049) 11.481 7.418 ( 3.239 4.432 0.023) 5.490 7.493 ( -2.950 3.602 -0.155) 4.658 7.514 ( 2.162 -3.481 0.320) 4.110 7.593 ( -4.284 -4.396 -0.059) 6.138 7.777 ( 1.907 4.913 -5.888) 7.902 7.803 ( -0.803 6.336 -5.220) 8.248 7.880 ( 3.617 -5.094 -6.842) 9.265 7.929 ( -1.585 -5.952 -5.923) 8.545 8.505 ( 3.558 2.905 0.125) 4.595 8.544 ( 3.391 0.172 -1.467) 3.699 8.581 ( -2.579 1.472 -1.188) 3.198 8.627 ( -3.610 -2.126 -2.695) 4.982 9.285 ( 3.897 8.063 1.287) 9.047 9.355 ( -3.108 7.939 0.755) 8.559 9.414 ( 3.253 -3.725 0.503) 4.971 9.484 ( -3.644 -3.676 0.268) 5.183 9.967 ( 2.587 3.216 -1.172) 4.290 10.026 ( 2.904 -1.259 -2.441) 3.997 10.040 ( -2.657 3.492 -2.383) 4.994 10.127 ( -5.084 -3.746 -3.368) 7.157 10.472 ( 6.398 2.491 1.195) 6.969 10.526 ( 4.922 -2.465 1.067) 5.607 10.596 ( -5.616 -0.049 1.426) 5.794 10.617 ( -3.674 -1.892 0.774) 4.204 10.942 ( 2.818 0.938 -1.646) 3.396 10.962 ( 6.458 -0.291 -1.502) 6.636 11.006 ( -3.893 5.165 -1.241) 6.586 11.127 ( -10.131 -6.117 -0.696) 11.855 11.715 ( 6.528 14.530 6.195) 17.091 11.812 ( -3.428 14.367 5.132) 15.636 12.058 ( 6.264 -18.307 6.573) 20.435 12.153 ( -3.755 -18.192 6.353) 19.632 13.156 ( 0.897 7.000 0.103) 7.058 13.176 ( -1.084 5.151 -0.122) 5.266 13.252 ( 0.378 -2.001 0.724) 2.161 13.264 ( -0.887 -2.895 0.460) 3.062======================= Grid point 105 (37/60) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 0.000 0.000 17.670) 17.670 1.416 ( 0.000 0.000 19.785) 19.785 1.788 ( 0.000 0.000 -12.970) 12.970 1.889 ( 0.000 0.000 -4.745) 4.745 2.119 ( 0.000 0.000 23.754) 23.754 2.146 ( 0.000 0.000 4.070) 4.070 2.202 ( 0.000 0.000 8.929) 8.929 2.283 ( 0.000 0.000 -2.718) 2.718 2.303 ( 0.000 0.000 7.153) 7.153 2.346 ( 0.000 0.000 12.994) 12.994 2.600 ( 0.000 0.000 -7.846) 7.846 2.703 ( 0.000 0.000 4.033) 4.033 2.937 ( 0.000 0.000 -7.459) 7.459 2.942 ( 0.000 0.000 -13.047) 13.047 3.102 ( 0.000 0.000 2.221) 2.221 3.106 ( 0.000 0.000 0.844) 0.844 3.263 ( 0.000 0.000 -7.175) 7.175 3.374 ( 0.000 0.000 3.319) 3.319 3.410 ( 0.000 0.000 0.096) 0.096 3.533 ( 0.000 0.000 -10.711) 10.711 3.554 ( 0.000 0.000 -2.648) 2.648 3.585 ( 0.000 0.000 -6.625) 6.625 3.591 ( 0.000 0.000 5.391) 5.391 3.628 ( 0.000 0.000 0.456) 0.456 3.776 ( 0.000 0.000 -2.645) 2.645 3.781 ( 0.000 0.000 -4.460) 4.460 3.914 ( 0.000 0.000 -0.893) 0.893 3.928 ( 0.000 0.000 -1.445) 1.445 4.017 ( 0.000 0.000 0.591) 0.591 4.083 ( 0.000 0.000 1.193) 1.193 4.111 ( 0.000 0.000 4.150) 4.150 4.123 ( 0.000 0.000 -3.015) 3.015 4.263 ( 0.000 0.000 -1.973) 1.973 4.352 ( 0.000 0.000 -3.578) 3.578 4.713 ( 0.000 0.000 -0.880) 0.880 4.742 ( 0.000 0.000 3.586) 3.586 4.832 ( 0.000 0.000 -0.716) 0.716 4.903 ( 0.000 0.000 -4.395) 4.395 4.933 ( 0.000 0.000 -4.512) 4.512 4.945 ( 0.000 0.000 -0.627) 0.627 5.137 ( 0.000 0.000 4.337) 4.337 5.211 ( 0.000 0.000 -3.352) 3.352 5.241 ( 0.000 0.000 5.216) 5.216 5.364 ( 0.000 0.000 5.122) 5.122 5.421 ( 0.000 0.000 -2.936) 2.936 5.450 ( 0.000 0.000 -3.630) 3.630 5.548 ( 0.000 0.000 -4.240) 4.240 5.592 ( 0.000 0.000 -8.955) 8.955 5.799 ( 0.000 0.000 2.439) 2.439 5.945 ( 0.000 0.000 -2.255) 2.255 6.027 ( 0.000 0.000 1.745) 1.745 6.068 ( 0.000 0.000 -0.461) 0.461 6.281 ( 0.000 0.000 1.621) 1.621 6.336 ( 0.000 0.000 -0.302) 0.302 6.349 ( 0.000 0.000 0.503) 0.503 6.390 ( 0.000 0.000 0.719) 0.719 6.395 ( 0.000 0.000 0.556) 0.556 6.494 ( 0.000 0.000 -3.647) 3.647 7.014 ( 0.000 0.000 -1.164) 1.164 7.043 ( 0.000 0.000 -3.017) 3.017 7.112 ( 0.000 0.000 4.435) 4.435 7.373 ( 0.000 0.000 -8.440) 8.440 7.528 ( 0.000 0.000 0.379) 0.379 7.676 ( 0.000 0.000 -6.413) 6.413 7.886 ( 0.000 0.000 1.180) 1.180 7.898 ( 0.000 0.000 1.031) 1.031 8.150 ( 0.000 0.000 3.312) 3.312 8.158 ( 0.000 0.000 6.562) 6.562 8.202 ( 0.000 0.000 -0.106) 0.106 8.341 ( 0.000 0.000 -2.629) 2.629 8.726 ( 0.000 0.000 -0.870) 0.870 8.747 ( 0.000 0.000 -0.812) 0.812 9.052 ( 0.000 0.000 2.770) 2.770 9.189 ( 0.000 0.000 -3.751) 3.751 9.402 ( 0.000 0.000 0.285) 0.285 9.407 ( 0.000 0.000 0.015) 0.015 9.764 ( 0.000 0.000 2.074) 2.074 9.773 ( 0.000 0.000 1.813) 1.813 9.956 ( 0.000 0.000 3.770) 3.770 10.124 ( 0.000 0.000 -3.489) 3.489 10.179 ( 0.000 0.000 1.217) 1.217 10.231 ( 0.000 0.000 -2.813) 2.813 10.588 ( 0.000 0.000 0.354) 0.354 10.613 ( 0.000 0.000 -0.763) 0.763 10.893 ( 0.000 0.000 -0.244) 0.244 10.981 ( 0.000 0.000 -4.751) 4.751 11.215 ( 0.000 0.000 14.467) 14.467 11.317 ( 0.000 0.000 2.612) 2.612 11.356 ( 0.000 0.000 6.084) 6.084 12.045 ( 0.000 0.000 -21.694) 21.694 12.539 ( 0.000 0.000 19.993) 19.993 12.671 ( 0.000 0.000 4.132) 4.132 12.803 ( 0.000 0.000 2.686) 2.686 13.176 ( 0.000 0.000 -5.420) 5.420 13.212 ( 0.000 0.000 2.346) 2.346 13.381 ( 0.000 0.000 -9.212) 9.212======================= Grid point 106 (38/60) =======================q-point: ( 0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 9.567 0.000 15.703) 18.388 1.468 ( 5.350 0.000 17.882) 18.665 1.804 ( -0.143 0.000 -8.626) 8.628 1.859 ( -3.499 0.000 -2.258) 4.164 2.133 ( -0.746 0.000 5.192) 5.245 2.143 ( 0.389 0.000 12.627) 12.633 2.179 ( 2.166 0.000 22.139) 22.245 2.236 ( -3.118 0.000 5.228) 6.087 2.356 ( 3.723 0.000 -2.801) 4.659 2.401 ( 4.832 0.000 5.099) 7.025 2.573 ( -2.688 0.000 -7.943) 8.385 2.711 ( 0.690 0.000 2.528) 2.620 2.863 ( -6.785 0.000 -11.771) 13.586 2.884 ( -5.845 0.000 -7.657) 9.633 3.126 ( 2.420 0.000 1.333) 2.763 3.137 ( 3.169 0.000 1.645) 3.570 3.233 ( -3.017 0.000 -6.688) 7.337 3.359 ( -1.885 0.000 2.618) 3.226 3.375 ( -8.014 0.000 -7.731) 11.135 3.392 ( -2.247 0.000 0.251) 2.261 3.546 ( -2.866 0.000 4.045) 4.957 3.585 ( -3.426 0.000 0.907) 3.544 3.606 ( 1.367 0.000 -1.887) 2.331 3.669 ( 1.643 0.000 -6.346) 6.555 3.815 ( 3.217 0.000 -2.910) 4.338 3.841 ( 4.514 0.000 -2.163) 5.006 3.872 ( 3.851 0.000 3.525) 5.221 4.016 ( -0.115 0.000 -0.344) 0.363 4.054 ( 8.231 0.000 -5.168) 9.718 4.107 ( -1.544 0.000 -3.145) 3.503 4.134 ( 4.740 0.000 4.894) 6.813 4.204 ( 8.302 0.000 0.558) 8.321 4.269 ( 0.811 0.000 -1.608) 1.801 4.350 ( -0.400 0.000 -3.381) 3.404 4.695 ( -1.448 0.000 -1.221) 1.894 4.722 ( -2.825 0.000 3.329) 4.366 4.836 ( 0.490 0.000 -1.107) 1.211 4.853 ( -7.600 0.000 -3.310) 8.289 4.894 ( -0.891 0.000 -4.047) 4.143 4.899 ( -6.065 0.000 -2.859) 6.706 5.155 ( 1.631 0.000 1.735) 2.381 5.171 ( -0.983 0.000 -2.018) 2.245 5.240 ( -1.343 0.000 2.812) 3.116 5.383 ( 2.029 0.000 4.392) 4.838 5.400 ( -1.577 0.000 -2.340) 2.822 5.470 ( 1.562 0.000 -1.657) 2.277 5.532 ( -1.634 0.000 -3.118) 3.521 5.615 ( 0.735 0.000 -5.676) 5.724 5.794 ( -0.327 0.000 -1.183) 1.227 5.921 ( -1.467 0.000 -3.199) 3.519 6.032 ( 0.530 0.000 1.727) 1.806 6.069 ( -0.005 0.000 -0.347) 0.347 6.287 ( 0.647 0.000 1.482) 1.617 6.317 ( -3.303 0.000 0.679) 3.372 6.334 ( -0.318 0.000 0.116) 0.339 6.338 ( -4.794 0.000 0.082) 4.794 6.400 ( 1.139 0.000 -0.094) 1.143 6.485 ( -0.910 0.000 -3.400) 3.520 6.983 ( -0.911 0.000 -0.551) 1.065 7.049 ( -0.819 0.000 -3.799) 3.886 7.118 ( 0.752 0.000 3.126) 3.215 7.323 ( -4.788 0.000 -6.959) 8.447 7.578 ( 4.702 0.000 0.577) 4.737 7.710 ( 2.305 0.000 -5.453) 5.920 7.883 ( 0.904 0.000 2.638) 2.788 7.933 ( 1.851 0.000 0.589) 1.942 8.174 ( 1.822 0.000 4.911) 5.238 8.179 ( 3.095 0.000 3.563) 4.719 8.243 ( 3.899 0.000 -0.090) 3.900 8.328 ( -1.498 0.000 -2.367) 2.801 8.653 ( -5.773 0.000 1.134) 5.883 8.714 ( -4.122 0.000 -2.188) 4.666 9.077 ( 2.470 0.000 2.706) 3.663 9.189 ( -0.252 0.000 -2.661) 2.673 9.403 ( 0.099 0.000 0.273) 0.291 9.407 ( -0.008 0.000 0.054) 0.055 9.764 ( 0.008 0.000 2.032) 2.032 9.771 ( -0.157 0.000 1.815) 1.822 9.985 ( 2.476 0.000 3.244) 4.081 10.142 ( 0.519 0.000 -3.410) 3.449 10.243 ( 4.440 0.000 0.878) 4.526 10.335 ( 13.088 0.000 -2.896) 13.405 10.606 ( 1.225 0.000 -0.132) 1.232 10.626 ( 2.977 0.000 -1.102) 3.174 10.900 ( 0.829 0.000 -0.674) 1.069 10.972 ( -0.942 0.000 -4.321) 4.423 11.094 ( -11.561 0.000 13.526) 17.794 11.302 ( -2.304 0.000 1.859) 2.961 11.373 ( 1.550 0.000 5.458) 5.673 11.821 ( -18.302 0.000 -12.162) 21.974 12.679 ( 3.532 0.000 6.466) 7.368 12.710 ( 9.866 0.000 9.049) 13.387 12.796 ( -0.296 0.000 1.387) 1.418 13.140 ( -3.178 0.000 -4.554) 5.553 13.240 ( 2.232 0.000 1.500) 2.690 13.380 ( -0.530 0.000 -6.815) 6.836======================= Grid point 107 (39/60) =======================q-point: ( 0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 11.972 0.000 11.811) 16.817 1.599 ( 8.366 0.000 12.746) 15.246 1.715 ( -9.098 0.000 4.892) 10.330 1.753 ( -7.648 0.000 5.225) 9.263 2.138 ( 1.381 0.000 5.472) 5.644 2.179 ( -2.842 0.000 5.524) 6.213 2.193 ( 4.769 0.000 7.685) 9.045 2.238 ( 1.230 0.000 17.302) 17.345 2.431 ( 4.273 0.000 -6.494) 7.774 2.509 ( -4.051 0.000 -7.809) 8.797 2.517 ( 8.040 0.000 -3.318) 8.698 2.693 ( -10.071 0.000 -7.052) 12.295 2.730 ( 1.251 0.000 -1.906) 2.280 2.784 ( -4.483 0.000 -3.638) 5.773 3.186 ( 3.682 0.000 1.562) 4.000 3.197 ( 0.307 0.000 -5.969) 5.976 3.206 ( 3.207 0.000 1.558) 3.566 3.252 ( -5.211 0.000 -6.964) 8.698 3.305 ( -2.904 0.000 1.380) 3.216 3.330 ( -3.977 0.000 0.747) 4.047 3.519 ( -0.123 0.000 2.802) 2.804 3.534 ( -1.753 0.000 1.717) 2.454 3.613 ( 0.493 0.000 -2.323) 2.375 3.644 ( -2.525 0.000 -3.616) 4.411 3.871 ( 2.684 0.000 -1.006) 2.867 3.898 ( 0.641 0.000 -0.920) 1.122 4.024 ( 1.663 0.000 -2.836) 3.288 4.027 ( 9.981 0.000 5.830) 11.559 4.070 ( -2.526 0.000 -3.592) 4.391 4.150 ( -1.559 0.000 3.640) 3.960 4.276 ( 10.841 0.000 1.823) 10.993 4.295 ( 1.942 0.000 -1.574) 2.499 4.331 ( -1.620 0.000 -2.532) 3.006 4.346 ( 5.090 0.000 1.092) 5.206 4.619 ( -5.970 0.000 -1.962) 6.284 4.661 ( -8.126 0.000 -3.839) 8.987 4.710 ( -0.381 0.000 -3.134) 3.157 4.777 ( -5.176 0.000 -6.168) 8.052 4.850 ( 1.066 0.000 -2.095) 2.350 4.873 ( -1.296 0.000 -3.195) 3.447 5.164 ( 0.733 0.000 0.732) 1.036 5.185 ( -0.968 0.000 2.189) 2.393 5.250 ( 4.157 0.000 0.053) 4.158 5.343 ( -4.719 0.000 -1.472) 4.943 5.433 ( 3.093 0.000 2.396) 3.912 5.490 ( -2.869 0.000 -0.431) 2.901 5.514 ( 3.186 0.000 0.043) 3.186 5.580 ( -3.605 0.000 -1.037) 3.751 5.823 ( 3.415 0.000 -6.857) 7.661 5.888 ( -2.809 0.000 -7.564) 8.069 6.046 ( 0.976 0.000 1.248) 1.584 6.063 ( -0.675 0.000 0.322) 0.748 6.255 ( -1.375 0.000 2.171) 2.570 6.273 ( -2.597 0.000 -0.131) 2.601 6.304 ( 1.089 0.000 1.097) 1.546 6.323 ( -0.872 0.000 0.671) 1.100 6.429 ( 1.795 0.000 -1.510) 2.346 6.461 ( -1.614 0.000 -2.667) 3.117 6.991 ( 1.367 0.000 -1.729) 2.204 7.022 ( -1.765 0.000 -3.245) 3.694 7.149 ( 2.849 0.000 -0.054) 2.850 7.225 ( -5.140 0.000 -3.750) 6.363 7.669 ( 4.349 0.000 -0.463) 4.374 7.723 ( -1.225 0.000 -2.949) 3.193 7.913 ( 1.994 0.000 3.245) 3.809 7.943 ( -0.817 0.000 2.363) 2.500 8.225 ( 3.426 0.000 1.136) 3.609 8.254 ( 4.477 0.000 3.952) 5.971 8.286 ( -2.920 0.000 -1.344) 3.215 8.302 ( 0.730 0.000 1.744) 1.891 8.572 ( -1.296 0.000 0.252) 1.320 8.620 ( -5.122 0.000 -2.110) 5.539 9.130 ( 2.845 0.000 1.670) 3.299 9.172 ( -1.611 0.000 -0.362) 1.651 9.405 ( 0.119 0.000 0.228) 0.258 9.407 ( -0.063 0.000 0.144) 0.157 9.765 ( 0.101 0.000 1.934) 1.937 9.768 ( -0.194 0.000 1.847) 1.857 10.037 ( 3.214 0.000 0.530) 3.257 10.102 ( -3.543 0.000 -2.576) 4.380 10.415 ( 10.919 0.000 3.962) 11.616 10.500 ( 2.338 0.000 -0.256) 2.352 10.629 ( 2.921 0.000 2.048) 3.568 10.758 ( -0.921 0.000 1.854) 2.070 10.903 ( 4.344 0.000 1.485) 4.591 10.922 ( 1.399 0.000 -1.801) 2.280 10.949 ( -1.469 0.000 -3.194) 3.516 11.180 ( -13.011 0.000 -3.562) 13.490 11.412 ( 2.931 0.000 3.640) 4.674 11.520 ( -11.008 0.000 -2.643) 11.320 12.719 ( 2.176 0.000 5.367) 5.791 12.757 ( -1.800 0.000 6.019) 6.283 12.926 ( 9.310 0.000 -0.942) 9.357 13.061 ( -5.531 0.000 -3.872) 6.752 13.292 ( 3.299 0.000 1.031) 3.456 13.350 ( -2.657 0.000 -2.039) 3.349======================= Grid point 110 (40/60) =======================q-point: ( 0.00 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 0.000 8.388 15.966) 18.036 1.520 ( 0.000 7.705 22.136) 23.439 1.824 ( 0.000 3.632 -11.775) 12.323 2.049 ( 0.000 12.508 -2.149) 12.691 2.179 ( 0.000 -0.459 5.123) 5.144 2.222 ( 0.000 10.560 12.157) 16.103 2.239 ( 0.000 8.663 4.445) 9.736 2.308 ( 0.000 0.616 6.640) 6.669 2.412 ( 0.000 8.143 5.844) 10.023 2.421 ( 0.000 8.903 5.168) 10.294 2.665 ( 0.000 -2.620 5.134) 5.764 2.686 ( 0.000 4.792 -7.531) 8.927 2.896 ( 0.000 -1.690 -5.256) 5.521 2.956 ( 0.000 1.768 -11.738) 11.870 3.071 ( 0.000 -1.302 -2.926) 3.202 3.105 ( 0.000 -0.541 -3.112) 3.158 3.281 ( 0.000 0.899 -2.767) 2.909 3.315 ( 0.000 -5.954 3.947) 7.143 3.390 ( 0.000 -1.432 0.895) 1.689 3.398 ( 0.000 -6.481 -5.375) 8.420 3.492 ( 0.000 -4.986 -1.771) 5.291 3.521 ( 0.000 -2.335 -3.513) 4.218 3.595 ( 0.000 -0.064 4.165) 4.166 3.651 ( 0.000 -0.779 -1.197) 1.429 3.804 ( 0.000 -1.200 -1.302) 1.771 3.821 ( 0.000 -0.968 -0.932) 1.344 3.882 ( 0.000 1.548 0.337) 1.584 3.984 ( 0.000 2.170 -4.089) 4.629 4.043 ( 0.000 4.669 -5.305) 7.067 4.064 ( 0.000 -2.883 -1.606) 3.300 4.088 ( 0.000 2.077 3.134) 3.760 4.135 ( 0.000 1.455 -0.936) 1.731 4.436 ( 0.000 12.605 -1.864) 12.742 4.458 ( 0.000 7.783 -3.351) 8.473 4.730 ( 0.000 1.832 -0.210) 1.844 4.748 ( 0.000 1.818 5.634) 5.920 4.838 ( 0.000 0.738 -1.918) 2.055 4.866 ( 0.000 -3.277 -2.178) 3.935 4.940 ( 0.000 0.170 -4.232) 4.235 4.955 ( 0.000 1.427 -1.141) 1.827 5.104 ( 0.000 -3.296 5.490) 6.404 5.175 ( 0.000 -1.751 -1.831) 2.534 5.223 ( 0.000 -1.474 4.034) 4.294 5.415 ( 0.000 0.901 -3.295) 3.416 5.416 ( 0.000 0.074 -2.526) 2.527 5.480 ( 0.000 2.831 0.315) 2.848 5.547 ( 0.000 -1.205 -5.058) 5.199 5.618 ( 0.000 -3.586 -0.358) 3.603 5.726 ( 0.000 2.714 -1.505) 3.103 5.796 ( 0.000 -10.430 0.370) 10.436 6.050 ( 0.000 -0.495 -0.983) 1.101 6.061 ( 0.000 -1.137 -0.497) 1.240 6.212 ( 0.000 -7.568 3.959) 8.541 6.290 ( 0.000 -2.425 0.440) 2.465 6.351 ( 0.000 1.230 -0.778) 1.456 6.362 ( 0.000 -0.405 0.160) 0.435 6.431 ( 0.000 2.684 0.244) 2.695 6.658 ( 0.000 8.915 -8.173) 12.094 7.003 ( 0.000 -0.913 -0.866) 1.258 7.035 ( 0.000 -1.001 -2.818) 2.990 7.182 ( 0.000 6.411 3.716) 7.410 7.415 ( 0.000 3.664 -7.800) 8.618 7.530 ( 0.000 -0.361 0.182) 0.404 7.642 ( 0.000 -3.468 -4.893) 5.997 7.812 ( 0.000 -8.247 2.557) 8.635 7.849 ( 0.000 -3.684 -0.264) 3.693 7.954 ( 0.000 -9.266 4.143) 10.150 8.096 ( 0.000 -7.683 -3.124) 8.294 8.303 ( 0.000 5.777 3.769) 6.898 8.396 ( 0.000 3.061 -0.575) 3.115 8.693 ( 0.000 -3.683 0.319) 3.697 8.702 ( 0.000 -1.949 -1.124) 2.250 9.062 ( 0.000 1.576 2.679) 3.108 9.180 ( 0.000 1.190 -2.762) 3.008 9.427 ( 0.000 0.855 0.343) 0.921 9.461 ( 0.000 3.648 -1.181) 3.834 9.842 ( 0.000 6.275 1.820) 6.534 9.868 ( 0.000 7.248 0.050) 7.249 10.019 ( 0.000 7.196 2.843) 7.737 10.149 ( 0.000 1.308 -1.753) 2.187 10.176 ( 0.000 -0.332 0.981) 1.036 10.242 ( 0.000 1.772 -4.027) 4.400 10.586 ( 0.000 -0.230 0.419) 0.478 10.638 ( 0.000 2.377 -2.183) 3.228 10.875 ( 0.000 -1.392 -0.026) 1.392 10.931 ( 0.000 -4.127 -2.563) 4.858 11.187 ( 0.000 -2.823 14.184) 14.462 11.349 ( 0.000 3.220 3.068) 4.447 11.423 ( 0.000 6.370 3.471) 7.255 11.963 ( 0.000 -8.053 -20.116) 21.668 12.478 ( 0.000 -6.224 19.349) 20.325 12.679 ( 0.000 -0.258 3.765) 3.774 12.854 ( 0.000 5.076 2.293) 5.570 13.176 ( 0.000 -1.751 -7.894) 8.086 13.226 ( 0.000 1.424 2.027) 2.477 13.313 ( 0.000 -3.781 -3.845) 5.392======================= Grid point 111 (41/60) =======================q-point: ( 0.20 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 8.767 7.437 14.288) 18.339 1.569 ( 5.148 7.400 20.640) 22.522 1.836 ( 0.075 3.187 -8.072) 8.679 2.031 ( -3.593 14.138 -0.106) 14.588 2.111 ( -5.982 0.177 10.657) 12.222 2.168 ( -1.187 3.220 5.521) 6.500 2.294 ( 5.083 9.562 8.265) 13.623 2.369 ( -0.973 4.908 5.539) 7.464 2.377 ( 2.502 6.986 1.474) 7.566 2.448 ( 2.270 3.990 1.332) 4.780 2.604 ( -3.932 -0.757 -3.042) 5.029 2.734 ( 2.463 4.578 -0.880) 5.272 2.858 ( -5.128 -0.177 -7.591) 9.162 2.893 ( -4.504 4.687 -8.706) 10.865 3.089 ( 2.833 -1.751 -0.451) 3.361 3.160 ( 3.542 0.123 -3.099) 4.708 3.231 ( -4.176 -0.723 -2.590) 4.967 3.307 ( -0.959 -4.714 3.031) 5.686 3.327 ( -4.679 -3.164 -5.703) 8.027 3.391 ( -1.726 -0.370 -0.368) 1.803 3.459 ( -0.319 -6.521 0.530) 6.551 3.559 ( -1.011 -1.187 0.289) 1.586 3.600 ( 0.393 0.187 0.836) 0.943 3.654 ( 0.521 0.035 -1.151) 1.264 3.816 ( 1.617 -3.749 2.522) 4.799 3.873 ( 4.265 -0.737 -2.637) 5.068 3.883 ( 2.320 2.761 -0.605) 3.657 4.001 ( 0.774 1.247 -3.710) 3.989 4.036 ( 1.374 -1.923 -0.554) 2.427 4.101 ( 3.814 -0.063 1.710) 4.180 4.119 ( -1.078 0.561 -2.145) 2.466 4.205 ( 8.791 1.676 -3.845) 9.740 4.435 ( 0.414 10.639 -1.361) 10.733 4.486 ( 2.067 9.699 -1.958) 10.108 4.699 ( -5.951 -0.057 5.539) 8.130 4.710 ( -1.635 1.414 -1.413) 2.583 4.805 ( -5.299 -1.129 -2.638) 6.026 4.860 ( -1.026 -0.117 -2.589) 2.787 4.884 ( -1.850 -1.146 -1.628) 2.717 4.924 ( -3.615 2.680 -3.563) 5.740 5.140 ( 2.697 -1.104 1.652) 3.350 5.161 ( -0.104 -0.371 -1.211) 1.271 5.226 ( -0.076 -1.282 3.884) 4.091 5.367 ( -2.486 0.812 -0.326) 2.635 5.429 ( 0.265 -2.511 -1.826) 3.116 5.511 ( 1.693 4.113 1.326) 4.641 5.567 ( 1.354 -0.440 -2.553) 2.923 5.649 ( 2.706 0.994 -5.624) 6.320 5.691 ( -2.507 -3.099 1.150) 4.149 5.796 ( -0.138 -7.861 -2.454) 8.236 6.041 ( -0.486 -0.642 0.460) 0.927 6.067 ( 0.339 -1.008 -0.807) 1.335 6.214 ( 0.062 -6.764 3.063) 7.425 6.267 ( -2.274 -1.947 1.078) 3.182 6.351 ( 0.261 2.137 -1.488) 2.617 6.373 ( 0.782 -1.199 -0.676) 1.583 6.412 ( -1.651 2.728 -0.622) 3.249 6.565 ( -7.774 4.984 -6.120) 11.078 6.998 ( 0.532 1.223 -0.893) 1.605 7.048 ( 0.173 -0.455 -3.384) 3.418 7.186 ( 0.593 6.312 2.758) 6.914 7.371 ( -4.351 4.345 -6.309) 8.810 7.566 ( 3.360 -1.734 0.441) 3.807 7.664 ( 1.699 -4.702 -3.686) 6.211 7.839 ( 1.908 -5.421 1.543) 5.950 7.855 ( 0.813 -5.940 1.088) 6.093 7.982 ( 2.982 -8.949 2.765) 9.830 8.104 ( 0.609 -8.752 -2.878) 9.233 8.335 ( 3.142 6.055 3.258) 7.559 8.411 ( 1.683 4.091 -0.301) 4.433 8.635 ( -4.507 -1.466 1.304) 4.916 8.686 ( -2.717 -1.975 -1.774) 3.799 9.075 ( 1.412 0.850 2.505) 2.998 9.172 ( -0.910 0.450 -1.978) 2.224 9.424 ( -0.222 0.906 0.184) 0.950 9.450 ( -1.012 3.249 -0.982) 3.542 9.838 ( -0.287 5.758 1.659) 5.999 9.853 ( -1.104 6.644 0.584) 6.760 10.012 ( 0.699 2.303 3.490) 4.239 10.170 ( -0.569 1.996 -3.420) 4.001 10.257 ( 5.308 1.639 0.838) 5.619 10.349 ( 13.575 1.697 -3.221) 14.055 10.620 ( 4.237 0.370 -0.856) 4.339 10.638 ( 0.062 1.953 -1.301) 2.347 10.880 ( -0.138 -1.939 0.048) 1.945 10.921 ( -1.006 -3.660 -1.488) 4.077 11.089 ( -8.913 -1.052 11.126) 14.294 11.346 ( -2.603 3.643 0.874) 4.562 11.417 ( 0.392 4.666 4.699) 6.634 11.771 ( -15.519 -4.669 -11.212) 19.707 12.627 ( 11.162 -7.483 11.229) 17.512 12.698 ( 2.110 -0.267 4.451) 4.933 12.848 ( -0.351 5.176 1.452) 5.387 13.136 ( -3.732 -1.648 -6.368) 7.563 13.245 ( 1.446 0.685 1.133) 1.961 13.315 ( -0.010 -3.773 -2.924) 4.773======================= Grid point 112 (42/60) =======================q-point: ( 0.40 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 11.262 6.121 10.361) 16.482 1.698 ( 7.336 6.494 15.015) 17.929 1.772 ( -6.311 5.519 4.900) 9.711 1.885 ( -9.683 8.386 10.206) 16.379 2.085 ( 1.621 2.002 4.595) 5.268 2.133 ( -2.866 0.979 5.456) 6.240 2.374 ( 1.990 7.481 3.116) 8.345 2.378 ( 2.642 7.645 6.192) 10.187 2.438 ( 3.444 2.284 -4.334) 5.989 2.493 ( -0.699 0.876 -6.333) 6.432 2.562 ( 3.063 1.548 -2.367) 4.169 2.696 ( -8.606 1.604 -6.835) 11.106 2.785 ( 1.389 7.546 -2.596) 8.100 2.829 ( -3.142 7.541 -3.311) 8.815 3.141 ( 2.149 -1.770 -1.862) 3.349 3.181 ( -1.708 -2.253 -2.633) 3.863 3.214 ( 2.697 -1.750 -2.149) 3.867 3.260 ( -1.588 -0.888 -3.347) 3.810 3.292 ( -0.728 -2.206 0.809) 2.460 3.323 ( -4.179 -0.491 -0.328) 4.220 3.479 ( 2.140 -2.695 2.906) 4.504 3.525 ( -2.493 0.461 3.234) 4.109 3.597 ( 0.417 0.512 -0.917) 1.130 3.629 ( -2.586 0.176 -2.858) 3.858 3.894 ( 5.150 -4.695 1.951) 7.237 3.926 ( 2.256 3.451 0.359) 4.138 3.956 ( 2.390 -0.353 0.951) 2.597 3.988 ( -1.935 -5.151 -0.084) 5.503 4.065 ( 1.455 -2.030 -2.580) 3.591 4.089 ( -1.285 -0.502 -2.160) 2.562 4.245 ( 9.623 -1.008 1.439) 9.782 4.339 ( 3.497 -0.178 -2.144) 4.105 4.450 ( 0.335 8.698 1.583) 8.848 4.516 ( 2.251 9.789 -0.177) 10.046 4.547 ( -7.617 -4.443 -0.343) 8.825 4.650 ( -9.020 0.422 -2.700) 9.425 4.718 ( 2.690 4.023 -5.244) 7.135 4.801 ( -5.028 4.080 -5.273) 8.350 4.880 ( 0.162 -0.281 -2.190) 2.214 4.883 ( -0.366 1.344 -2.461) 2.828 5.166 ( 1.065 0.613 0.783) 1.457 5.185 ( -0.227 0.087 1.755) 1.772 5.241 ( 3.384 -0.140 1.169) 3.583 5.315 ( -3.571 -0.380 0.099) 3.592 5.449 ( 1.968 -3.293 1.514) 4.124 5.497 ( -2.774 -1.495 1.713) 3.586 5.596 ( 2.025 6.096 0.222) 6.427 5.633 ( -1.954 6.947 -0.371) 7.226 5.730 ( 3.743 -7.056 -6.979) 10.607 5.782 ( -1.680 -7.276 -5.964) 9.557 6.045 ( 0.944 -0.857 0.996) 1.618 6.065 ( -0.771 -0.935 -0.251) 1.238 6.209 ( -0.281 -3.696 1.699) 4.077 6.223 ( -1.890 -1.957 1.126) 2.944 6.356 ( 0.582 3.879 -1.495) 4.197 6.379 ( -1.635 2.009 -1.067) 2.801 6.398 ( 1.844 -1.972 -2.314) 3.555 6.449 ( -4.157 -1.199 -3.398) 5.501 7.018 ( 1.280 1.834 -1.831) 2.890 7.039 ( -0.955 1.003 -2.886) 3.201 7.213 ( 2.492 5.913 0.177) 6.420 7.281 ( -4.689 5.208 -3.116) 7.670 7.632 ( 3.313 -4.075 -0.163) 5.254 7.674 ( -0.951 -4.998 -1.872) 5.421 7.862 ( 0.904 -4.489 1.878) 4.949 7.871 ( 0.235 -6.030 2.225) 6.432 8.050 ( 3.792 -9.197 0.241) 9.951 8.101 ( -1.373 -9.806 -1.866) 10.076 8.402 ( 3.685 6.292 3.037) 7.899 8.444 ( 0.475 5.950 1.345) 6.119 8.567 ( -1.107 -0.367 0.274) 1.198 8.614 ( -4.435 -0.384 -1.919) 4.847 9.110 ( 2.148 -0.388 1.530) 2.666 9.147 ( -1.759 -0.557 -0.192) 1.855 9.423 ( 0.194 1.314 -0.179) 1.341 9.432 ( -0.751 2.216 -0.593) 2.413 9.835 ( -0.007 5.345 1.653) 5.595 9.839 ( -0.460 5.426 1.511) 5.651 10.047 ( 2.922 0.689 0.460) 3.037 10.114 ( -3.988 0.806 -2.685) 4.875 10.433 ( 10.754 1.720 3.779) 11.528 10.518 ( 2.607 1.642 -0.130) 3.084 10.644 ( 1.716 1.161 1.460) 2.535 10.770 ( -7.212 0.077 5.674) 9.177 10.817 ( 11.077 -4.144 -5.086) 12.874 10.921 ( 0.411 -1.162 -2.535) 2.819 10.975 ( -0.087 1.203 0.745) 1.417 11.185 ( -14.851 0.094 -4.788) 15.604 11.451 ( 2.922 4.054 3.661) 6.195 11.538 ( -7.793 2.255 -1.222) 8.205 12.733 ( 2.472 -0.056 6.146) 6.625 12.763 ( 0.396 -2.446 8.146) 8.515 12.901 ( 7.610 -0.300 -2.611) 8.051 13.042 ( -6.530 -2.416 -4.768) 8.439 13.275 ( 1.736 -0.741 0.785) 2.044 13.304 ( -1.209 -2.675 -0.711) 3.021======================= Grid point 115 (43/60) =======================q-point: ( 0.00 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 0.000 13.768 12.041) 18.290 1.652 ( 0.000 6.107 19.420) 20.357 1.931 ( 0.000 7.082 -7.941) 10.640 2.142 ( 0.000 -2.868 4.359) 5.217 2.243 ( 0.000 5.681 0.698) 5.724 2.281 ( 0.000 -2.768 6.545) 7.106 2.436 ( 0.000 -2.280 7.029) 7.390 2.459 ( 0.000 5.950 -0.285) 5.957 2.535 ( 0.000 13.617 -5.135) 14.553 2.609 ( 0.000 3.227 -0.155) 3.231 2.632 ( 0.000 -3.047 3.712) 4.802 2.664 ( 0.000 5.615 0.219) 5.620 2.898 ( 0.000 1.574 -4.881) 5.128 3.018 ( 0.000 2.108 -15.548) 15.690 3.163 ( 0.000 9.624 1.387) 9.723 3.212 ( 0.000 8.693 0.163) 8.695 3.269 ( 0.000 1.769 -1.616) 2.395 3.280 ( 0.000 2.486 2.556) 3.566 3.324 ( 0.000 0.386 2.058) 2.094 3.378 ( 0.000 -0.085 1.361) 1.363 3.422 ( 0.000 0.128 -1.482) 1.488 3.473 ( 0.000 -2.349 -3.193) 3.964 3.588 ( 0.000 -0.093 1.046) 1.050 3.589 ( 0.000 -4.853 -1.222) 5.005 3.690 ( 0.000 -7.601 -1.961) 7.850 3.747 ( 0.000 -5.618 -3.901) 6.840 3.980 ( 0.000 3.182 3.914) 5.044 4.022 ( 0.000 2.267 0.194) 2.275 4.075 ( 0.000 6.558 -4.452) 7.926 4.122 ( 0.000 3.314 1.162) 3.512 4.183 ( 0.000 3.192 -0.516) 3.234 4.192 ( 0.000 5.791 -5.864) 8.241 4.543 ( 0.000 2.341 -2.541) 3.455 4.555 ( 0.000 -0.971 -3.524) 3.656 4.730 ( 0.000 -7.073 -0.113) 7.074 4.761 ( 0.000 -3.139 0.485) 3.176 4.868 ( 0.000 5.574 1.798) 5.857 4.872 ( 0.000 -3.649 1.859) 4.095 4.985 ( 0.000 9.202 0.039) 9.202 5.013 ( 0.000 -4.237 7.623) 8.721 5.046 ( 0.000 6.561 -0.182) 6.563 5.169 ( 0.000 1.352 -1.605) 2.099 5.225 ( 0.000 4.094 -1.716) 4.439 5.346 ( 0.000 -10.141 -4.792) 11.216 5.407 ( 0.000 0.004 -1.579) 1.579 5.432 ( 0.000 -3.450 1.213) 3.657 5.470 ( 0.000 -2.144 -0.364) 2.175 5.616 ( 0.000 -5.689 1.422) 5.864 5.690 ( 0.000 8.170 0.588) 8.191 5.851 ( 0.000 4.095 -3.277) 5.245 5.984 ( 0.000 -7.366 3.170) 8.019 6.025 ( 0.000 -1.590 -0.463) 1.657 6.123 ( 0.000 0.628 -0.176) 0.652 6.219 ( 0.000 -4.864 -4.001) 6.299 6.359 ( 0.000 0.698 5.868) 5.909 6.365 ( 0.000 -0.105 -0.816) 0.822 6.456 ( 0.000 -0.335 -2.091) 2.118 6.750 ( 0.000 0.260 -9.965) 9.968 6.968 ( 0.000 -4.666 -1.223) 4.824 6.989 ( 0.000 -4.056 -2.348) 4.687 7.319 ( 0.000 5.491 2.735) 6.134 7.478 ( 0.000 -3.058 -0.463) 3.093 7.487 ( 0.000 2.867 -5.796) 6.467 7.535 ( 0.000 -6.701 -3.036) 7.357 7.692 ( 0.000 -0.780 1.617) 1.795 7.769 ( 0.000 -3.183 -2.279) 3.915 7.817 ( 0.000 -4.952 2.112) 5.384 7.963 ( 0.000 -5.549 -5.085) 7.527 8.389 ( 0.000 3.098 2.032) 3.705 8.434 ( 0.000 0.934 0.454) 1.039 8.644 ( 0.000 -1.099 0.666) 1.285 8.672 ( 0.000 -0.862 -1.344) 1.596 9.128 ( 0.000 5.026 3.013) 5.859 9.256 ( 0.000 5.416 -2.846) 6.118 9.428 ( 0.000 -0.005 1.805) 1.805 9.521 ( 0.000 2.207 -2.462) 3.306 9.964 ( 0.000 3.166 1.907) 3.695 9.971 ( 0.000 5.756 1.833) 6.041 10.139 ( 0.000 -2.047 0.212) 2.058 10.156 ( 0.000 -0.606 1.738) 1.840 10.216 ( 0.000 8.971 -3.876) 9.773 10.306 ( 0.000 3.870 -4.490) 5.927 10.570 ( 0.000 -1.607 0.102) 1.610 10.669 ( 0.000 -1.367 -6.093) 6.244 10.861 ( 0.000 0.575 0.948) 1.108 10.888 ( 0.000 2.562 0.400) 2.593 11.108 ( 0.000 -4.846 11.060) 12.075 11.433 ( 0.000 4.128 2.779) 4.976 11.590 ( 0.000 10.098 1.619) 10.227 11.753 ( 0.000 -11.501 -13.922) 18.058 12.302 ( 0.000 -10.774 16.257) 19.503 12.577 ( 0.000 -11.417 1.849) 11.565 12.993 ( 0.000 8.465 1.532) 8.603 13.128 ( 0.000 0.473 -4.799) 4.822 13.262 ( 0.000 1.752 1.816) 2.523 13.308 ( 0.000 1.079 -0.470) 1.177======================= Grid point 116 (44/60) =======================q-point: ( 0.20 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 5.458 10.258 11.977) 16.687 1.699 ( 4.719 7.050 17.116) 19.103 1.923 ( -1.329 5.205 -3.887) 6.630 2.134 ( -1.953 -0.615 8.188) 8.440 2.162 ( -6.775 -0.133 3.859) 7.799 2.241 ( -4.179 -1.689 -0.622) 4.550 2.439 ( 1.431 -3.311 2.377) 4.320 2.463 ( -1.988 8.250 -5.787) 10.271 2.490 ( -0.117 10.912 0.543) 10.926 2.597 ( 1.053 5.560 3.116) 6.460 2.638 ( -0.209 6.578 2.928) 7.203 2.767 ( 6.067 0.690 -2.229) 6.500 2.896 ( -0.867 2.668 -5.658) 6.315 3.035 ( 1.488 1.522 -11.382) 11.579 3.163 ( -4.525 3.433 -0.197) 5.683 3.179 ( 0.247 5.609 0.089) 5.615 3.215 ( -2.375 2.977 -1.586) 4.126 3.265 ( -3.044 1.880 -0.920) 3.694 3.282 ( -0.490 3.022 1.597) 3.453 3.361 ( -2.891 0.541 -0.929) 3.084 3.449 ( 2.863 4.323 0.508) 5.210 3.527 ( 2.497 -1.820 -3.962) 5.024 3.604 ( 3.584 -4.925 1.816) 6.356 3.615 ( 1.472 0.535 2.143) 2.654 3.720 ( 0.799 -6.605 -1.209) 6.762 3.784 ( 4.291 -5.228 -3.413) 7.576 3.948 ( -1.976 4.914 2.905) 6.040 4.007 ( 0.494 0.059 0.610) 0.787 4.088 ( -0.391 4.968 -1.359) 5.166 4.141 ( 1.936 3.182 0.959) 3.846 4.147 ( -1.626 2.214 -0.921) 2.898 4.265 ( 4.956 3.045 -8.745) 10.503 4.498 ( -3.040 -1.080 -0.949) 3.363 4.559 ( -1.990 -0.920 -1.321) 2.560 4.706 ( -5.940 -2.254 2.250) 6.740 4.736 ( 0.238 -3.313 -2.738) 4.305 4.822 ( -1.803 -3.527 1.103) 4.112 4.861 ( -0.160 1.269 0.611) 1.417 4.950 ( -1.488 12.311 1.406) 12.480 5.046 ( -0.727 6.951 -1.109) 7.077 5.100 ( 5.393 -1.473 4.725) 7.320 5.183 ( 1.148 2.200 -1.092) 2.711 5.212 ( 0.178 2.841 -0.216) 2.855 5.370 ( -0.246 -3.294 -1.993) 3.857 5.387 ( -1.808 -1.203 0.224) 2.183 5.460 ( 3.299 -5.224 -3.607) 7.154 5.461 ( -0.240 -4.939 1.333) 5.122 5.612 ( -0.071 -4.324 0.775) 4.393 5.706 ( 1.280 6.251 0.472) 6.398 5.830 ( -2.084 2.732 -3.684) 5.038 5.992 ( 0.714 -6.493 2.135) 6.873 6.020 ( -0.481 -1.767 -0.010) 1.832 6.141 ( 1.827 0.842 0.080) 2.013 6.223 ( 0.637 -2.578 -3.120) 4.097 6.334 ( -1.864 -0.298 3.942) 4.371 6.380 ( 0.839 -0.168 -0.370) 0.932 6.440 ( -1.375 -0.351 -3.183) 3.485 6.638 ( -9.933 2.571 -8.404) 13.263 6.976 ( 0.940 -5.955 -0.543) 6.054 7.004 ( 0.703 -4.866 -2.317) 5.435 7.321 ( 0.392 5.548 2.256) 6.002 7.468 ( -2.359 4.782 -5.269) 7.496 7.488 ( 0.768 -3.561 0.245) 3.651 7.559 ( 2.512 -4.845 -2.505) 6.005 7.722 ( 1.797 -2.666 1.656) 3.616 7.764 ( 0.573 -3.777 -1.520) 4.111 7.838 ( 1.879 -6.343 0.237) 6.620 7.957 ( -0.693 -5.834 -4.947) 7.680 8.422 ( 3.094 2.875 1.831) 4.603 8.460 ( 2.734 1.115 0.359) 2.974 8.615 ( -2.703 -0.237 1.121) 2.936 8.658 ( -1.693 -0.853 -1.477) 2.403 9.136 ( 0.934 5.295 2.577) 5.963 9.241 ( -1.565 5.905 -2.157) 6.479 9.429 ( 0.243 -0.129 1.311) 1.340 9.508 ( -1.347 2.281 -2.325) 3.524 9.934 ( -1.383 3.071 1.096) 3.542 9.970 ( -2.025 5.132 -0.515) 5.541 10.041 ( -2.533 -0.138 3.085) 3.994 10.181 ( -1.638 -1.200 -3.071) 3.682 10.314 ( 6.062 3.762 0.623) 7.162 10.402 ( 10.696 3.043 -3.273) 11.592 10.609 ( 4.180 -1.310 -0.838) 4.460 10.674 ( 0.501 -0.333 -4.276) 4.319 10.840 ( -2.272 0.099 2.656) 3.497 10.901 ( 1.066 2.281 -0.767) 2.632 11.047 ( -5.473 -2.994 8.183) 10.290 11.395 ( -7.569 -1.245 -3.324) 8.360 11.549 ( -1.161 7.862 3.824) 8.819 11.699 ( -3.566 1.206 -5.077) 6.320 12.404 ( 8.595 -14.133 11.142) 19.943 12.591 ( 1.223 -12.263 2.689) 12.613 12.990 ( -0.235 8.622 1.143) 8.701 13.104 ( -2.441 1.603 -4.167) 5.088 13.267 ( 0.476 1.241 1.434) 1.955 13.303 ( -0.518 0.745 -0.320) 0.962======================= Grid point 117 (45/60) =======================q-point: ( 0.40 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 8.327 4.211 9.615) 13.399 1.802 ( 3.663 5.868 8.834) 11.220 1.872 ( -1.980 3.795 8.461) 9.482 1.988 ( -9.128 5.861 10.726) 15.255 2.129 ( -0.112 -3.569 3.195) 4.792 2.160 ( -3.507 -3.636 0.135) 5.054 2.437 ( 0.339 10.691 -5.057) 11.831 2.459 ( -1.154 5.271 0.396) 5.410 2.525 ( 4.121 0.714 0.344) 4.197 2.600 ( -3.120 2.826 -0.670) 4.262 2.676 ( 6.084 8.479 -1.539) 10.549 2.787 ( -4.451 8.899 -5.107) 11.184 2.919 ( 4.458 1.170 -2.888) 5.439 3.014 ( -4.776 3.106 -3.907) 6.909 3.106 ( 0.794 -4.616 -6.264) 7.821 3.153 ( -3.769 -4.983 -4.420) 7.653 3.209 ( 1.998 7.815 1.039) 8.133 3.244 ( -1.127 10.277 0.347) 10.344 3.274 ( 1.272 0.259 0.612) 1.436 3.315 ( -2.290 2.897 0.128) 3.695 3.508 ( 3.127 3.948 0.301) 5.046 3.546 ( -0.677 0.868 -0.534) 1.223 3.630 ( 0.723 -0.286 0.869) 1.166 3.643 ( -0.383 2.172 -1.996) 2.975 3.753 ( 3.757 -7.755 1.901) 8.824 3.820 ( -1.899 -6.296 -2.111) 6.907 3.989 ( 5.511 2.545 4.803) 7.741 4.025 ( 1.395 1.928 0.496) 2.431 4.066 ( -1.525 2.968 0.221) 3.344 4.085 ( -3.388 1.163 0.754) 3.660 4.246 ( 6.799 -0.561 -2.992) 7.449 4.336 ( 2.797 -0.185 -5.635) 6.294 4.399 ( -6.059 -6.116 -2.318) 8.916 4.477 ( -7.382 -1.852 -1.814) 7.824 4.648 ( 1.981 2.409 2.356) 3.909 4.711 ( -3.138 1.699 -0.965) 3.697 4.829 ( 1.608 -4.376 -0.157) 4.665 4.855 ( -0.900 -2.222 -0.695) 2.496 4.954 ( 2.042 14.352 -1.452) 14.569 5.007 ( -3.090 12.358 -2.667) 13.015 5.180 ( 2.770 0.440 4.241) 5.085 5.200 ( 0.333 2.501 1.320) 2.847 5.251 ( 3.549 1.548 0.297) 3.884 5.320 ( -3.706 0.082 0.092) 3.708 5.375 ( 0.882 -3.892 2.032) 4.479 5.420 ( -3.372 -5.397 2.192) 6.731 5.554 ( 4.976 -4.073 -4.006) 7.576 5.612 ( -0.928 -2.716 -2.337) 3.701 5.732 ( 1.896 1.721 -0.304) 2.578 5.781 ( -3.018 0.232 -3.559) 4.672 6.004 ( 0.461 -5.034 0.585) 5.089 6.011 ( -0.413 -2.750 0.465) 2.819 6.185 ( 2.862 1.539 1.392) 3.535 6.233 ( -1.124 4.344 1.658) 4.784 6.320 ( 2.411 -3.508 -2.481) 4.927 6.391 ( -0.603 -1.849 -1.552) 2.488 6.416 ( -0.896 0.809 -3.906) 4.088 6.458 ( -7.572 3.389 -6.066) 10.277 6.995 ( 0.937 -6.440 -0.534) 6.530 7.007 ( -0.302 -5.857 -1.274) 6.002 7.343 ( 2.179 5.874 1.410) 6.422 7.401 ( -3.898 6.194 -0.403) 7.329 7.527 ( 2.816 -3.609 -2.543) 5.237 7.573 ( -1.412 -2.886 -3.450) 4.714 7.750 ( 1.874 -5.373 2.196) 6.099 7.776 ( -0.382 -3.966 2.104) 4.506 7.887 ( 3.126 -7.595 -3.552) 8.948 7.935 ( -1.844 -6.489 -4.663) 8.201 8.485 ( 3.409 2.371 2.114) 4.660 8.521 ( 2.347 2.008 0.928) 3.225 8.564 ( -1.547 0.143 0.391) 1.602 8.610 ( -3.420 -0.221 -1.498) 3.740 9.163 ( 1.888 5.821 1.319) 6.260 9.203 ( -2.327 6.190 -0.457) 6.628 9.443 ( 1.355 0.404 -0.051) 1.415 9.476 ( -1.989 1.655 -1.501) 2.991 9.919 ( -0.247 2.595 0.857) 2.743 9.929 ( -1.478 3.487 0.040) 3.788 10.047 ( 2.365 -1.118 -0.002) 2.616 10.114 ( -4.417 -1.266 -3.068) 5.525 10.473 ( 9.656 2.073 3.491) 10.475 10.552 ( 3.679 1.339 0.355) 3.931 10.652 ( -0.539 -0.767 0.335) 0.995 10.688 ( -3.766 -4.716 2.005) 6.360 10.839 ( 7.142 3.210 -1.997) 8.082 10.917 ( -0.229 1.169 -1.736) 2.105 10.977 ( 0.695 -0.838 1.051) 1.513 11.160 ( -14.888 -3.013 -5.863) 16.282 11.581 ( 3.109 9.436 4.103) 10.749 11.640 ( -3.117 8.766 1.105) 9.369 12.547 ( 5.815 -16.504 6.890) 18.806 12.604 ( -0.559 -14.729 4.583) 15.436 12.997 ( 1.439 8.050 -0.416) 8.188 13.046 ( -3.448 4.749 -2.613) 6.424 13.278 ( 0.687 0.519 0.778) 1.160 13.291 ( -0.708 0.310 0.118) 0.781======================= Grid point 120 (46/60) =======================q-point: ( 0.00 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 0.000 7.758 8.655) 11.623 1.797 ( 0.000 12.411 6.895) 14.198 2.035 ( 0.000 -6.066 2.930) 6.737 2.090 ( 0.000 8.641 -2.299) 8.942 2.140 ( 0.000 -11.214 4.996) 12.276 2.259 ( 0.000 -7.177 -0.041) 7.177 2.365 ( 0.000 2.533 2.623) 3.647 2.440 ( 0.000 -3.585 2.049) 4.129 2.562 ( 0.000 -1.529 3.499) 3.819 2.570 ( 0.000 -1.922 9.012) 9.215 2.828 ( 0.000 11.751 -4.938) 12.747 2.896 ( 0.000 6.548 -6.510) 9.233 3.006 ( 0.000 7.658 -4.871) 9.076 3.056 ( 0.000 2.036 -12.059) 12.229 3.178 ( 0.000 -3.709 -0.700) 3.775 3.188 ( 0.000 -3.880 -2.987) 4.897 3.288 ( 0.000 -0.064 -0.215) 0.224 3.329 ( 0.000 1.953 0.990) 2.189 3.385 ( 0.000 -1.553 1.010) 1.852 3.448 ( 0.000 1.172 -2.270) 2.555 3.473 ( 0.000 -1.568 -1.427) 2.120 3.482 ( 0.000 -2.381 1.095) 2.621 3.534 ( 0.000 -0.793 1.401) 1.610 3.602 ( 0.000 -0.260 0.719) 0.765 3.676 ( 0.000 8.509 -1.316) 8.610 3.699 ( 0.000 8.868 -1.953) 9.081 4.027 ( 0.000 0.086 2.916) 2.917 4.028 ( 0.000 -2.575 2.048) 3.290 4.161 ( 0.000 1.917 -1.279) 2.305 4.184 ( 0.000 1.449 -2.876) 3.221 4.254 ( 0.000 3.807 -5.128) 6.386 4.285 ( 0.000 2.817 -6.323) 6.922 4.559 ( 0.000 3.385 -0.717) 3.461 4.586 ( 0.000 -3.457 1.531) 3.780 4.602 ( 0.000 -2.697 -2.805) 3.892 4.670 ( 0.000 -1.348 -3.758) 3.993 4.753 ( 0.000 -3.163 9.117) 9.650 4.876 ( 0.000 -8.398 7.053) 10.966 4.937 ( 0.000 3.201 -1.131) 3.395 5.054 ( 0.000 -5.705 0.854) 5.769 5.125 ( 0.000 1.116 2.045) 2.329 5.146 ( 0.000 -3.003 -0.421) 3.033 5.267 ( 0.000 3.107 0.634) 3.171 5.311 ( 0.000 -1.833 1.672) 2.480 5.446 ( 0.000 2.813 -0.352) 2.835 5.459 ( 0.000 3.276 -0.927) 3.405 5.545 ( 0.000 13.950 -4.126) 14.547 5.605 ( 0.000 5.445 1.532) 5.657 5.781 ( 0.000 -9.148 6.609) 11.286 5.783 ( 0.000 -1.484 -2.930) 3.285 5.901 ( 0.000 -1.032 -3.913) 4.047 5.936 ( 0.000 -7.265 -1.638) 7.447 6.163 ( 0.000 0.547 -1.240) 1.355 6.167 ( 0.000 1.565 -0.502) 1.643 6.368 ( 0.000 1.303 -2.994) 3.265 6.413 ( 0.000 -0.769 -4.247) 4.317 6.444 ( 0.000 6.377 7.623) 9.938 6.670 ( 0.000 -10.939 1.103) 10.995 6.829 ( 0.000 -2.787 -5.052) 5.770 6.881 ( 0.000 -5.721 -4.000) 6.980 7.368 ( 0.000 1.812 -0.002) 1.812 7.420 ( 0.000 -3.839 -1.618) 4.166 7.514 ( 0.000 2.921 -3.597) 4.634 7.529 ( 0.000 0.925 -5.110) 5.194 7.737 ( 0.000 -0.362 -1.103) 1.161 7.743 ( 0.000 4.426 -1.956) 4.839 7.751 ( 0.000 -1.401 1.210) 1.851 7.856 ( 0.000 -5.749 -4.234) 7.140 8.431 ( 0.000 1.187 0.775) 1.418 8.442 ( 0.000 -0.053 0.524) 0.527 8.643 ( 0.000 0.656 -0.083) 0.661 8.659 ( 0.000 -0.754 -1.068) 1.308 9.240 ( 0.000 5.510 2.443) 6.027 9.313 ( 0.000 -1.051 -0.483) 1.157 9.470 ( 0.000 4.296 0.313) 4.307 9.534 ( 0.000 -1.301 -2.239) 2.590 10.016 ( 0.000 2.439 2.900) 3.789 10.048 ( 0.000 1.137 3.251) 3.444 10.096 ( 0.000 -0.806 -0.284) 0.854 10.125 ( 0.000 -2.045 0.667) 2.151 10.355 ( 0.000 4.382 -4.987) 6.639 10.370 ( 0.000 2.137 -3.874) 4.425 10.536 ( 0.000 -0.763 -1.251) 1.465 10.585 ( 0.000 -5.095 -4.337) 6.691 10.905 ( 0.000 3.615 2.800) 4.573 10.984 ( 0.000 -2.499 3.898) 4.631 11.076 ( 0.000 9.934 -1.900) 10.114 11.343 ( 0.000 -13.535 -8.473) 15.968 11.699 ( 0.000 6.478 5.610) 8.570 11.771 ( 0.000 4.572 4.304) 6.279 12.127 ( 0.000 -2.703 8.765) 9.173 12.291 ( 0.000 -14.902 1.511) 14.978 13.154 ( 0.000 6.506 0.515) 6.527 13.184 ( 0.000 3.013 -0.983) 3.169 13.279 ( 0.000 0.004 1.364) 1.364 13.301 ( 0.000 -1.915 0.272) 1.934======================= Grid point 121 (47/60) =======================q-point: ( 0.20 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -0.884 8.320 8.180) 11.701 1.863 ( 2.422 3.412 4.084) 5.846 2.004 ( -4.864 -1.751 2.144) 5.597 2.045 ( -2.001 3.495 0.869) 4.120 2.106 ( -3.812 -3.313 4.919) 7.050 2.246 ( 2.409 -5.149 1.788) 5.959 2.360 ( -0.958 3.046 7.217) 7.892 2.518 ( 3.465 -8.071 1.289) 8.878 2.573 ( 2.502 2.426 5.578) 6.577 2.617 ( 4.577 -1.492 2.099) 5.251 2.779 ( -3.675 11.989 -3.247) 12.953 2.913 ( 0.308 1.808 -6.557) 6.809 2.980 ( -1.973 6.626 -4.734) 8.379 3.056 ( -0.394 1.408 -11.502) 11.595 3.121 ( -4.906 -2.013 -4.255) 6.799 3.141 ( -4.713 -3.903 -4.638) 7.678 3.278 ( 0.784 3.209 1.854) 3.788 3.327 ( -0.492 4.928 0.491) 4.977 3.416 ( 2.017 -3.317 2.051) 4.391 3.459 ( 1.290 -1.052 1.365) 2.153 3.493 ( 2.310 -0.142 0.067) 2.316 3.503 ( 0.114 2.861 -0.011) 2.863 3.537 ( 1.418 -5.838 -0.692) 6.048 3.588 ( -0.135 1.001 -3.787) 3.920 3.704 ( 3.159 7.463 -0.463) 8.117 3.798 ( 7.318 6.811 -0.698) 10.021 3.980 ( -1.740 -0.603 2.274) 2.927 4.071 ( 0.728 3.082 -0.408) 3.193 4.141 ( -0.895 -2.621 -1.270) 3.047 4.174 ( -1.933 -0.256 -0.171) 1.958 4.209 ( -3.355 6.123 -2.601) 7.450 4.282 ( 0.182 -0.494 -8.390) 8.407 4.512 ( -6.293 0.608 1.492) 6.496 4.557 ( -1.082 2.727 -1.526) 3.307 4.620 ( 0.065 -7.504 -1.913) 7.745 4.646 ( -2.386 -4.816 -2.632) 5.984 4.750 ( 1.822 3.534 7.789) 8.745 4.907 ( 0.854 -3.944 4.501) 6.046 4.939 ( 1.780 -0.966 2.916) 3.550 5.058 ( -0.337 -4.216 2.772) 5.057 5.146 ( 2.648 0.927 1.727) 3.294 5.180 ( 3.181 -3.215 -0.884) 4.608 5.309 ( 2.924 1.324 0.434) 3.239 5.329 ( 1.604 -0.802 1.096) 2.101 5.431 ( -0.950 5.815 -1.390) 6.054 5.446 ( -0.436 2.481 -0.927) 2.684 5.525 ( -1.874 11.332 -2.161) 11.687 5.627 ( 1.990 7.315 -0.674) 7.611 5.763 ( -2.304 -8.485 1.578) 8.933 5.772 ( -1.227 -1.007 1.203) 1.991 5.881 ( -1.585 -3.173 -3.758) 5.168 5.923 ( -1.426 -8.235 -2.066) 8.609 6.178 ( 2.066 2.176 0.098) 3.002 6.206 ( 3.483 -0.156 -1.336) 3.734 6.363 ( -0.554 0.826 -2.514) 2.704 6.402 ( -2.340 -2.112 -1.825) 3.643 6.438 ( 0.696 9.417 4.324) 10.386 6.667 ( -1.266 -4.646 -2.087) 5.248 6.772 ( -4.203 -6.342 -1.519) 7.759 6.860 ( -2.241 -8.220 -3.369) 9.162 7.383 ( 1.616 2.356 0.659) 2.932 7.435 ( 2.196 -2.975 -1.221) 3.894 7.545 ( 2.446 2.857 -2.772) 4.672 7.561 ( 1.360 2.464 -3.649) 4.608 7.711 ( -0.508 -1.313 -2.289) 2.687 7.734 ( -1.920 -2.959 -0.839) 3.625 7.745 ( -0.401 3.499 -1.165) 3.710 7.849 ( -0.764 -5.596 -4.517) 7.232 8.458 ( 2.659 1.025 0.726) 2.940 8.469 ( 2.789 -0.088 0.354) 2.813 8.624 ( -1.918 0.917 0.199) 2.135 8.643 ( -1.666 -0.874 -0.917) 2.093 9.258 ( 1.885 5.994 2.003) 6.595 9.329 ( 1.594 0.211 -0.997) 1.892 9.450 ( -1.874 3.658 0.808) 4.189 9.519 ( -1.680 -1.660 -2.078) 3.146 9.973 ( -2.431 1.558 1.473) 3.241 10.011 ( -2.833 -2.200 2.467) 4.353 10.058 ( -3.091 3.987 -2.206) 5.506 10.133 ( -2.190 -3.397 -2.778) 4.904 10.388 ( 4.882 3.511 0.437) 6.029 10.435 ( 5.998 -0.453 -1.195) 6.133 10.586 ( 4.359 -0.155 -1.654) 4.665 10.620 ( 2.582 -3.260 -2.871) 5.053 10.891 ( -1.186 3.572 2.336) 4.430 10.960 ( -2.077 -2.456 2.918) 4.343 11.041 ( -3.322 8.195 -1.864) 9.037 11.250 ( -8.659 -10.968 -6.815) 15.547 11.734 ( 4.208 11.030 6.559) 13.505 11.841 ( 4.756 6.866 1.302) 8.453 12.139 ( 1.458 -8.346 8.586) 12.062 12.283 ( -0.957 -16.156 1.934) 16.299 13.154 ( 0.104 6.881 0.478) 6.898 13.180 ( -0.342 3.965 -0.833) 4.066 13.273 ( -0.557 -0.760 1.095) 1.445 13.290 ( -1.036 -2.242 0.245) 2.482======================= Grid point 122 (48/60) =======================q-point: ( 0.40 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 3.954 4.629 6.420) 8.847 1.870 ( -4.821 2.258 2.416) 5.846 1.901 ( -0.311 -5.911 2.386) 6.382 1.961 ( -5.296 -5.560 -0.281) 7.684 2.147 ( 5.869 10.566 9.813) 15.569 2.252 ( -4.161 11.402 6.645) 13.837 2.387 ( 5.219 -9.512 5.957) 12.377 2.488 ( -4.554 -9.735 5.619) 12.128 2.652 ( 3.392 7.417 -1.684) 8.328 2.712 ( -3.326 11.111 -1.806) 11.738 2.734 ( 7.926 -1.432 0.551) 8.073 2.872 ( -5.588 -3.828 -1.663) 6.975 2.973 ( 1.856 4.910 -7.916) 9.498 3.028 ( -3.626 1.045 -8.967) 9.729 3.043 ( -0.910 -1.967 -9.808) 10.045 3.062 ( -3.089 -3.362 -6.870) 8.249 3.314 ( 2.039 5.990 3.493) 7.228 3.327 ( 0.315 6.923 2.690) 7.434 3.436 ( 0.817 2.670 0.178) 2.798 3.468 ( -2.244 1.291 -0.064) 2.590 3.506 ( 2.869 -2.000 2.528) 4.315 3.537 ( 0.447 -1.676 -0.502) 1.805 3.565 ( 1.379 -6.168 0.191) 6.323 3.587 ( -0.546 -3.165 -2.499) 4.069 3.785 ( 5.411 10.161 -2.479) 11.776 3.873 ( -2.051 10.905 -5.308) 12.301 3.980 ( 3.518 -6.572 -0.484) 7.470 4.074 ( -4.815 -3.059 -1.779) 5.976 4.098 ( 2.061 5.455 3.268) 6.685 4.145 ( -2.358 2.765 -0.746) 3.710 4.190 ( 3.398 -1.162 -2.531) 4.393 4.285 ( -3.174 -6.673 -3.533) 8.191 4.414 ( -0.542 8.677 0.461) 8.706 4.487 ( -5.558 3.523 -1.919) 6.854 4.613 ( 0.353 -7.036 -0.792) 7.089 4.625 ( -0.728 -10.141 -1.472) 10.274 4.814 ( 4.103 6.201 5.032) 8.978 4.882 ( -2.909 5.972 3.081) 7.322 4.992 ( 2.970 -9.071 6.427) 11.507 5.038 ( -1.839 -6.400 4.825) 8.223 5.222 ( 5.057 1.441 0.313) 5.268 5.248 ( 3.872 -1.278 -0.352) 4.092 5.312 ( -2.961 0.154 0.337) 2.984 5.314 ( -3.029 0.095 0.395) 3.056 5.426 ( 1.383 8.428 -0.283) 8.545 5.463 ( -1.788 14.541 -0.515) 14.660 5.543 ( 6.498 -1.508 -3.237) 7.415 5.655 ( -1.761 5.210 -5.352) 7.674 5.699 ( -1.673 -4.962 2.392) 5.757 5.735 ( -2.641 1.784 -0.013) 3.188 5.868 ( 0.416 -8.488 -2.311) 8.806 5.891 ( -1.757 -9.642 -2.231) 10.051 6.237 ( 4.095 2.955 1.026) 5.153 6.276 ( 2.940 -1.001 -0.753) 3.196 6.335 ( -3.509 0.845 0.525) 3.648 6.344 ( -1.887 -1.878 -1.291) 2.959 6.479 ( 3.875 10.024 -1.419) 10.840 6.581 ( -6.569 9.040 -4.778) 12.153 6.757 ( 1.929 -15.131 1.366) 15.314 6.807 ( -3.138 -12.440 -1.269) 12.892 7.431 ( 3.651 4.096 1.404) 5.664 7.493 ( 1.303 0.966 -0.074) 1.624 7.522 ( -1.084 1.776 0.387) 2.116 7.575 ( -1.773 0.055 -1.958) 2.642 7.698 ( 0.300 -0.053 -2.205) 2.226 7.724 ( -1.367 1.680 -2.225) 3.105 7.762 ( 3.546 -4.807 -5.050) 7.822 7.821 ( -2.408 -5.624 -5.122) 7.978 8.516 ( 3.392 1.141 0.805) 3.668 8.533 ( 3.766 -0.440 -0.119) 3.793 8.577 ( -2.980 1.126 0.561) 3.235 8.599 ( -3.072 -0.901 -0.638) 3.264 9.305 ( 2.979 7.220 0.934) 7.867 9.349 ( -0.765 6.616 -1.087) 6.748 9.426 ( 0.679 -1.960 0.794) 2.221 9.473 ( -3.157 -2.561 -1.282) 4.263 9.953 ( 0.430 1.624 -0.185) 1.690 9.984 ( -1.762 1.764 -1.844) 3.101 10.006 ( 0.076 -1.611 -0.934) 1.863 10.060 ( -4.400 -3.715 -3.346) 6.660 10.514 ( 7.551 2.220 2.925) 8.397 10.554 ( 5.866 -1.312 1.505) 6.197 10.626 ( -2.108 -0.874 1.158) 2.559 10.632 ( -1.737 -1.230 0.698) 2.240 10.902 ( 3.457 2.776 -1.280) 4.615 10.948 ( 2.172 -1.883 -0.297) 2.890 10.971 ( -3.812 4.240 -1.914) 6.014 11.072 ( -9.602 -5.336 -4.471) 11.860 11.826 ( 4.829 15.067 4.994) 16.592 11.883 ( -0.676 14.976 2.223) 15.155 12.187 ( 3.596 -18.190 6.152) 19.536 12.250 ( -2.744 -18.805 3.333) 19.294 13.159 ( 0.493 7.327 0.197) 7.347 13.171 ( -0.660 6.231 -0.386) 6.278 13.264 ( -0.153 -2.386 0.588) 2.462 13.271 ( -0.842 -2.874 0.261) 3.006======================= Grid point 140 (49/60) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 0.000 0.000 -15.399) 15.399 1.518 ( 0.000 0.000 15.399) 15.399 1.727 ( 0.000 0.000 -12.636) 12.636 1.727 ( 0.000 0.000 12.636) 12.636 2.220 ( 0.000 0.000 -3.748) 3.748 2.220 ( 0.000 0.000 3.748) 3.748 2.314 ( 0.000 0.000 -0.445) 0.445 2.314 ( 0.000 0.000 0.445) 0.445 2.448 ( 0.000 0.000 -8.022) 8.022 2.448 ( 0.000 0.000 8.022) 8.022 2.657 ( 0.000 0.000 -14.908) 14.908 2.657 ( 0.000 0.000 14.908) 14.908 2.814 ( 0.000 0.000 -4.950) 4.950 2.814 ( 0.000 0.000 4.950) 4.950 3.120 ( 0.000 0.000 -0.225) 0.225 3.120 ( 0.000 0.000 0.225) 0.225 3.275 ( 0.000 0.000 -9.992) 9.992 3.275 ( 0.000 0.000 9.992) 9.992 3.410 ( 0.000 0.000 -0.483) 0.483 3.410 ( 0.000 0.000 0.483) 0.483 3.538 ( 0.000 0.000 -0.851) 0.851 3.538 ( 0.000 0.000 0.851) 0.851 3.638 ( 0.000 0.000 -0.105) 0.105 3.638 ( 0.000 0.000 0.105) 0.105 3.749 ( 0.000 0.000 -0.229) 0.229 3.749 ( 0.000 0.000 0.229) 0.229 3.911 ( 0.000 0.000 -0.461) 0.461 3.911 ( 0.000 0.000 0.461) 0.461 4.049 ( 0.000 0.000 -3.203) 3.203 4.049 ( 0.000 0.000 3.203) 3.203 4.124 ( 0.000 0.000 -2.029) 2.029 4.124 ( 0.000 0.000 2.029) 2.029 4.282 ( 0.000 0.000 -3.118) 3.118 4.282 ( 0.000 0.000 3.118) 3.118 4.741 ( 0.000 0.000 -3.026) 3.026 4.741 ( 0.000 0.000 3.026) 3.026 4.842 ( 0.000 0.000 -1.914) 1.914 4.842 ( 0.000 0.000 1.914) 1.914 4.915 ( 0.000 0.000 -2.071) 2.071 4.915 ( 0.000 0.000 2.071) 2.071 5.169 ( 0.000 0.000 -1.151) 1.151 5.169 ( 0.000 0.000 1.151) 1.151 5.393 ( 0.000 0.000 -4.705) 4.705 5.393 ( 0.000 0.000 4.705) 4.705 5.415 ( 0.000 0.000 -6.501) 6.501 5.415 ( 0.000 0.000 6.501) 6.501 5.460 ( 0.000 0.000 -4.949) 4.949 5.460 ( 0.000 0.000 4.949) 4.949 5.870 ( 0.000 0.000 -4.568) 4.568 5.870 ( 0.000 0.000 4.568) 4.568 6.054 ( 0.000 0.000 -1.060) 1.060 6.054 ( 0.000 0.000 1.060) 1.060 6.312 ( 0.000 0.000 -1.662) 1.662 6.312 ( 0.000 0.000 1.662) 1.662 6.381 ( 0.000 0.000 -1.806) 1.806 6.381 ( 0.000 0.000 1.806) 1.806 6.431 ( 0.000 0.000 -2.981) 2.981 6.431 ( 0.000 0.000 2.981) 2.981 7.008 ( 0.000 0.000 -0.668) 0.668 7.008 ( 0.000 0.000 0.668) 0.668 7.223 ( 0.000 0.000 -7.104) 7.104 7.223 ( 0.000 0.000 7.104) 7.104 7.573 ( 0.000 0.000 -4.127) 4.127 7.573 ( 0.000 0.000 4.127) 4.127 7.903 ( 0.000 0.000 -0.420) 0.420 7.903 ( 0.000 0.000 0.420) 0.420 8.192 ( 0.000 0.000 -1.243) 1.243 8.192 ( 0.000 0.000 1.243) 1.243 8.269 ( 0.000 0.000 -4.958) 4.958 8.269 ( 0.000 0.000 4.958) 4.958 8.730 ( 0.000 0.000 -0.842) 0.842 8.730 ( 0.000 0.000 0.842) 0.842 9.115 ( 0.000 0.000 -3.787) 3.787 9.115 ( 0.000 0.000 3.787) 3.787 9.406 ( 0.000 0.000 -0.152) 0.152 9.406 ( 0.000 0.000 0.152) 0.152 9.788 ( 0.000 0.000 -0.286) 0.286 9.788 ( 0.000 0.000 0.286) 0.286 10.040 ( 0.000 0.000 -4.824) 4.824 10.040 ( 0.000 0.000 4.824) 4.824 10.199 ( 0.000 0.000 -1.050) 1.050 10.199 ( 0.000 0.000 1.050) 1.050 10.598 ( 0.000 0.000 -0.723) 0.723 10.598 ( 0.000 0.000 0.723) 0.723 10.912 ( 0.000 0.000 -2.387) 2.387 10.912 ( 0.000 0.000 2.387) 2.387 11.338 ( 0.000 0.000 -0.772) 0.772 11.338 ( 0.000 0.000 0.772) 0.772 11.635 ( 0.000 0.000 -20.666) 20.666 11.635 ( 0.000 0.000 20.666) 20.666 12.719 ( 0.000 0.000 -0.095) 0.095 12.719 ( 0.000 0.000 0.095) 0.095 12.979 ( 0.000 0.000 -14.212) 14.212 12.979 ( 0.000 0.000 14.212) 14.212 13.265 ( 0.000 0.000 -3.554) 3.554 13.265 ( 0.000 0.000 3.554) 3.554======================= Grid point 142 (50/60) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 6.115 0.000 -13.658) 14.964 1.582 ( 6.115 0.000 13.658) 14.964 1.741 ( 1.400 0.000 -10.521) 10.614 1.741 ( 1.400 0.000 10.521) 10.614 2.225 ( 0.546 0.000 -4.372) 4.406 2.225 ( 0.546 0.000 4.372) 4.406 2.332 ( 1.887 0.000 -5.738) 6.040 2.332 ( 1.887 0.000 5.738) 6.040 2.422 ( -2.547 0.000 -7.682) 8.093 2.422 ( -2.547 0.000 7.682) 8.093 2.618 ( -4.857 0.000 -14.369) 15.167 2.618 ( -4.857 0.000 14.369) 15.167 2.770 ( -2.606 0.000 -4.284) 5.014 2.770 ( -2.606 0.000 4.284) 5.014 3.146 ( 2.752 0.000 -0.564) 2.809 3.146 ( 2.752 0.000 0.564) 2.809 3.221 ( -4.133 0.000 -6.132) 7.395 3.221 ( -4.133 0.000 6.132) 7.395 3.389 ( -2.365 0.000 -0.785) 2.492 3.389 ( -2.365 0.000 0.785) 2.492 3.587 ( -3.332 0.000 -0.908) 3.453 3.587 ( -3.332 0.000 0.908) 3.453 3.594 ( 2.371 0.000 -1.316) 2.712 3.594 ( 2.371 0.000 1.316) 2.712 3.811 ( 4.706 0.000 -1.327) 4.890 3.811 ( 4.706 0.000 1.327) 4.890 3.955 ( 6.661 0.000 -5.032) 8.348 3.955 ( 6.661 0.000 5.032) 8.348 4.037 ( -1.308 0.000 -3.014) 3.285 4.037 ( -1.308 0.000 3.014) 3.285 4.197 ( 6.675 0.000 -1.989) 6.965 4.197 ( 6.675 0.000 1.989) 6.965 4.286 ( 0.355 0.000 -2.769) 2.792 4.286 ( 0.355 0.000 2.769) 2.792 4.720 ( -2.147 0.000 -3.389) 4.012 4.720 ( -2.147 0.000 3.389) 4.012 4.840 ( -0.255 0.000 -1.584) 1.605 4.840 ( -0.255 0.000 1.584) 1.605 4.843 ( -8.538 0.000 -2.946) 9.032 4.843 ( -8.538 0.000 2.946) 9.032 5.155 ( 0.155 0.000 -0.438) 0.465 5.155 ( 0.155 0.000 0.438) 0.465 5.331 ( -2.753 0.000 -4.872) 5.596 5.331 ( -2.753 0.000 4.872) 5.596 5.464 ( 0.402 0.000 -4.027) 4.048 5.464 ( 0.402 0.000 4.027) 4.048 5.500 ( 4.315 0.000 -4.936) 6.556 5.500 ( 4.315 0.000 4.936) 6.556 5.838 ( -3.219 0.000 -4.527) 5.554 5.838 ( -3.219 0.000 4.527) 5.554 6.057 ( 0.303 0.000 -0.953) 1.000 6.057 ( 0.303 0.000 0.953) 1.000 6.316 ( 0.400 0.000 -1.530) 1.581 6.316 ( 0.400 0.000 1.530) 1.581 6.334 ( -3.930 0.000 -0.870) 4.025 6.334 ( -3.930 0.000 0.870) 4.025 6.428 ( -0.251 0.000 -2.543) 2.555 6.428 ( -0.251 0.000 2.543) 2.555 6.993 ( -1.057 0.000 -1.811) 2.097 6.993 ( -1.057 0.000 1.811) 2.097 7.201 ( -1.986 0.000 -5.607) 5.948 7.201 ( -1.986 0.000 5.607) 5.948 7.621 ( 4.028 0.000 -3.711) 5.477 7.621 ( 4.028 0.000 3.711) 5.477 7.924 ( 1.920 0.000 -1.470) 2.418 7.924 ( 1.920 0.000 1.470) 2.418 8.228 ( 3.689 0.000 -1.615) 4.027 8.228 ( 3.689 0.000 1.615) 4.027 8.264 ( -0.514 0.000 -4.272) 4.303 8.264 ( -0.514 0.000 4.272) 4.303 8.680 ( -4.749 0.000 -1.620) 5.018 8.680 ( -4.749 0.000 1.620) 5.018 9.133 ( 1.508 0.000 -3.082) 3.431 9.133 ( 1.508 0.000 3.082) 3.431 9.407 ( 0.058 0.000 -0.124) 0.137 9.407 ( 0.058 0.000 0.124) 0.137 9.787 ( -0.094 0.000 -0.236) 0.254 9.787 ( -0.094 0.000 0.236) 0.254 10.061 ( 0.759 0.000 -4.534) 4.597 10.061 ( 0.759 0.000 4.534) 4.597 10.282 ( 9.635 0.000 -2.661) 9.996 10.282 ( 9.635 0.000 2.661) 9.996 10.610 ( 1.477 0.000 -0.545) 1.574 10.610 ( 1.477 0.000 0.545) 1.574 10.911 ( -0.056 0.000 -1.931) 1.932 10.911 ( -0.056 0.000 1.931) 1.932 11.288 ( -7.074 0.000 -4.632) 8.456 11.288 ( -7.074 0.000 4.632) 8.456 11.542 ( -7.144 0.000 -13.916) 15.643 11.542 ( -7.144 0.000 13.916) 15.643 12.752 ( 2.918 0.000 -2.248) 3.684 12.752 ( 2.918 0.000 2.248) 3.684 12.977 ( -0.309 0.000 -12.040) 12.044 12.977 ( -0.309 0.000 12.040) 12.044 13.284 ( 1.818 0.000 -3.310) 3.777 13.284 ( 1.818 0.000 3.310) 3.777======================= Grid point 144 (51/60) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 4.040 0.000 -6.412) 7.579 1.691 ( 4.040 0.000 6.412) 7.579 1.766 ( 0.949 0.000 -4.246) 4.351 1.766 ( 0.949 0.000 4.246) 4.351 2.237 ( 0.512 0.000 -3.056) 3.099 2.237 ( 0.512 0.000 3.056) 3.099 2.375 ( -1.791 0.000 -4.253) 4.615 2.375 ( -1.791 0.000 4.253) 4.615 2.377 ( 2.453 0.000 -10.099) 10.393 2.377 ( 2.453 0.000 10.099) 10.393 2.507 ( -5.210 0.000 -10.743) 11.939 2.507 ( -5.210 0.000 10.743) 11.939 2.750 ( -0.139 0.000 -1.138) 1.146 2.750 ( -0.139 0.000 1.138) 1.146 3.160 ( -1.984 0.000 -2.312) 3.047 3.160 ( -1.984 0.000 2.312) 3.047 3.212 ( 3.751 0.000 -0.832) 3.842 3.212 ( 3.751 0.000 0.832) 3.842 3.325 ( -3.867 0.000 -0.922) 3.975 3.325 ( -3.867 0.000 0.922) 3.975 3.547 ( -1.008 0.000 -0.390) 1.081 3.547 ( -1.008 0.000 0.390) 1.081 3.592 ( -1.057 0.000 -0.934) 1.411 3.592 ( -1.057 0.000 0.934) 1.411 3.889 ( 3.103 0.000 -1.489) 3.442 3.889 ( 3.103 0.000 1.489) 3.442 4.005 ( -1.745 0.000 -2.035) 2.681 4.005 ( -1.745 0.000 2.035) 2.681 4.129 ( 8.401 0.000 -4.447) 9.505 4.129 ( 8.401 0.000 4.447) 9.505 4.292 ( 0.233 0.000 -1.207) 1.229 4.292 ( 0.233 0.000 1.207) 1.229 4.337 ( 8.153 0.000 -2.672) 8.580 4.337 ( 8.153 0.000 2.672) 8.580 4.616 ( -12.142 0.000 -1.217) 12.203 4.616 ( -12.142 0.000 1.217) 12.203 4.686 ( -2.443 0.000 -1.922) 3.108 4.686 ( -2.443 0.000 1.922) 3.108 4.835 ( -0.166 0.000 -0.629) 0.651 4.835 ( -0.166 0.000 0.629) 0.651 5.193 ( 3.141 0.000 -2.014) 3.731 5.193 ( 3.141 0.000 2.014) 3.731 5.282 ( -2.768 0.000 -3.915) 4.795 5.282 ( -2.768 0.000 3.915) 4.795 5.471 ( 0.253 0.000 -1.554) 1.574 5.471 ( 0.253 0.000 1.554) 1.574 5.552 ( 1.348 0.000 -2.803) 3.110 5.552 ( 1.348 0.000 2.803) 3.110 5.778 ( -2.315 0.000 -2.931) 3.735 5.778 ( -2.315 0.000 2.931) 3.735 6.062 ( 0.182 0.000 -0.422) 0.460 6.062 ( 0.182 0.000 0.422) 0.460 6.277 ( -1.684 0.000 -0.190) 1.695 6.277 ( -1.684 0.000 0.190) 1.695 6.323 ( 0.277 0.000 -0.723) 0.774 6.323 ( 0.277 0.000 0.723) 0.774 6.424 ( -0.172 0.000 -1.075) 1.089 6.424 ( -0.172 0.000 1.075) 1.089 6.980 ( -0.348 0.000 -0.835) 0.904 6.980 ( -0.348 0.000 0.835) 0.904 7.167 ( -1.168 0.000 -2.073) 2.379 7.167 ( -1.168 0.000 2.073) 2.379 7.680 ( 1.783 0.000 -1.513) 2.338 7.680 ( 1.783 0.000 1.513) 2.338 7.956 ( 1.167 0.000 -0.975) 1.521 7.956 ( 1.167 0.000 0.975) 1.521 8.254 ( -0.370 0.000 -1.835) 1.872 8.254 ( -0.370 0.000 1.835) 1.872 8.305 ( 3.471 0.000 -1.337) 3.719 8.305 ( 3.471 0.000 1.337) 3.719 8.589 ( -3.833 0.000 -1.334) 4.059 8.589 ( -3.833 0.000 1.334) 4.059 9.157 ( 0.830 0.000 -1.183) 1.445 9.157 ( 0.830 0.000 1.183) 1.445 9.408 ( 0.036 0.000 -0.048) 0.060 9.408 ( 0.036 0.000 0.048) 0.060 9.786 ( -0.059 0.000 -0.093) 0.110 9.786 ( -0.059 0.000 0.093) 0.110 10.060 ( -0.326 0.000 -1.797) 1.827 10.060 ( -0.326 0.000 1.797) 1.827 10.479 ( 6.964 0.000 -2.295) 7.333 10.479 ( 6.964 0.000 2.295) 7.333 10.694 ( 9.804 0.000 -4.777) 10.906 10.694 ( 9.804 0.000 4.777) 10.906 10.910 ( -0.035 0.000 -0.738) 0.738 10.910 ( -0.035 0.000 0.738) 0.738 11.045 ( -16.338 0.000 -9.509) 18.904 11.045 ( -16.338 0.000 9.509) 18.904 11.468 ( -1.234 0.000 -2.600) 2.878 11.468 ( -1.234 0.000 2.600) 2.878 12.799 ( 1.612 0.000 -2.295) 2.805 12.799 ( 1.612 0.000 2.295) 2.805 12.968 ( -0.479 0.000 -5.250) 5.272 12.968 ( -0.479 0.000 5.250) 5.272 13.316 ( 1.139 0.000 -1.552) 1.926 13.316 ( 1.139 0.000 1.552) 1.926======================= Grid point 150 (52/60) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 0.000 5.764 -14.137) 15.267 1.576 ( 0.000 5.764 14.137) 15.267 1.881 ( 0.000 12.226 -15.024) 19.370 1.881 ( 0.000 12.226 15.024) 19.370 2.247 ( 0.000 1.349 -3.211) 3.483 2.247 ( 0.000 1.349 3.211) 3.483 2.347 ( 0.000 5.043 -3.365) 6.063 2.347 ( 0.000 5.043 3.365) 6.063 2.542 ( 0.000 6.287 -7.217) 9.571 2.542 ( 0.000 6.287 7.217) 9.571 2.659 ( 0.000 0.525 -13.933) 13.943 2.659 ( 0.000 0.525 13.933) 13.943 2.792 ( 0.000 -1.120 -4.328) 4.471 2.792 ( 0.000 -1.120 4.328) 4.471 3.060 ( 0.000 -1.844 -1.599) 2.441 3.060 ( 0.000 -1.844 1.599) 2.441 3.292 ( 0.000 0.686 -3.311) 3.382 3.292 ( 0.000 0.686 3.311) 3.382 3.396 ( 0.000 -1.252 -1.071) 1.647 3.396 ( 0.000 -1.252 1.071) 1.647 3.480 ( 0.000 -4.354 -0.687) 4.408 3.480 ( 0.000 -4.354 0.687) 4.408 3.637 ( 0.000 -1.075 -0.760) 1.317 3.637 ( 0.000 -1.075 0.760) 1.317 3.803 ( 0.000 -0.947 -0.779) 1.226 3.803 ( 0.000 -0.947 0.779) 1.226 3.894 ( 0.000 4.440 -2.419) 5.057 3.894 ( 0.000 4.440 2.419) 5.057 4.017 ( 0.000 -2.105 -1.021) 2.340 4.017 ( 0.000 -2.105 1.021) 2.340 4.140 ( 0.000 1.635 -1.082) 1.961 4.140 ( 0.000 1.635 1.082) 1.961 4.415 ( 0.000 9.382 -0.403) 9.391 4.415 ( 0.000 9.382 0.403) 9.391 4.766 ( 0.000 3.644 -3.329) 4.935 4.766 ( 0.000 3.644 3.329) 4.935 4.836 ( 0.000 -0.931 -1.316) 1.612 4.836 ( 0.000 -0.931 1.316) 1.612 4.917 ( 0.000 0.354 -2.106) 2.136 4.917 ( 0.000 0.354 2.106) 2.136 5.152 ( 0.000 -1.245 -0.894) 1.533 5.152 ( 0.000 -1.245 0.894) 1.533 5.357 ( 0.000 -4.008 -7.995) 8.943 5.357 ( 0.000 -4.008 7.995) 8.943 5.385 ( 0.000 -0.609 -1.100) 1.257 5.385 ( 0.000 -0.609 1.100) 1.257 5.573 ( 0.000 7.577 -3.583) 8.381 5.573 ( 0.000 7.577 3.583) 8.381 5.757 ( 0.000 -8.428 -3.323) 9.059 5.757 ( 0.000 -8.428 3.323) 9.059 6.049 ( 0.000 -0.876 -0.580) 1.050 6.049 ( 0.000 -0.876 0.580) 1.050 6.270 ( 0.000 -6.432 -2.127) 6.775 6.270 ( 0.000 -6.432 2.127) 6.775 6.353 ( 0.000 2.456 -0.811) 2.587 6.353 ( 0.000 2.456 0.811) 2.587 6.512 ( 0.000 3.667 -6.988) 7.892 6.512 ( 0.000 3.667 6.988) 7.892 7.000 ( 0.000 -0.766 -0.776) 1.090 7.000 ( 0.000 -0.766 0.776) 1.090 7.279 ( 0.000 5.067 -6.349) 8.123 7.279 ( 0.000 5.067 6.349) 8.123 7.563 ( 0.000 -1.311 -3.182) 3.441 7.563 ( 0.000 -1.311 3.182) 3.442 7.841 ( 0.000 -5.947 -0.759) 5.995 7.841 ( 0.000 -5.947 0.759) 5.995 8.031 ( 0.000 -9.872 -3.814) 10.584 8.031 ( 0.000 -9.872 3.814) 10.584 8.365 ( 0.000 4.485 -2.571) 5.170 8.365 ( 0.000 4.485 2.571) 5.170 8.695 ( 0.000 -2.611 -0.030) 2.611 8.695 ( 0.000 -2.611 0.030) 2.611 9.120 ( 0.000 1.592 -3.356) 3.715 9.120 ( 0.000 1.592 3.356) 3.715 9.440 ( 0.000 2.027 -0.951) 2.239 9.440 ( 0.000 2.027 0.951) 2.239 9.865 ( 0.000 6.587 -0.579) 6.613 9.865 ( 0.000 6.587 0.579) 6.613 10.090 ( 0.000 4.537 -4.105) 6.119 10.090 ( 0.000 4.537 4.105) 6.119 10.195 ( 0.000 -0.345 -1.276) 1.322 10.195 ( 0.000 -0.345 1.276) 1.322 10.603 ( 0.000 0.271 -1.375) 1.401 10.603 ( 0.000 0.271 1.375) 1.401 10.890 ( 0.000 -1.676 -1.556) 2.287 10.890 ( 0.000 -1.676 1.556) 2.287 11.370 ( 0.000 2.580 -1.973) 3.248 11.370 ( 0.000 2.580 1.973) 3.248 11.595 ( 0.000 -3.362 -17.141) 17.467 11.595 ( 0.000 -3.362 17.141) 17.467 12.703 ( 0.000 -3.277 -3.102) 4.513 12.703 ( 0.000 -3.277 3.102) 4.513 12.972 ( 0.000 0.262 -11.157) 11.160 12.972 ( 0.000 0.262 11.157) 11.160 13.264 ( 0.000 0.607 -2.013) 2.102 13.264 ( 0.000 0.607 2.013) 2.102======================= Grid point 152 (53/60) =======================q-point: ( 0.20 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 5.479 5.071 -12.402) 14.476 1.633 ( 5.479 5.071 12.402) 14.476 1.900 ( 1.864 12.916 -13.126) 18.509 1.900 ( 1.864 12.916 13.126) 18.509 2.249 ( -0.065 0.465 -4.222) 4.248 2.249 ( -0.065 0.465 4.222) 4.248 2.326 ( -2.149 0.988 -6.745) 7.147 2.326 ( -2.149 0.988 6.745) 7.147 2.502 ( -2.930 5.515 -6.088) 8.722 2.502 ( -2.930 5.515 6.088) 8.722 2.630 ( -2.986 1.418 -12.284) 12.721 2.630 ( -2.986 1.418 12.284) 12.721 2.788 ( -0.148 4.416 -4.152) 6.063 2.788 ( -0.148 4.416 4.152) 6.063 3.102 ( 3.266 -2.444 -2.235) 4.651 3.102 ( 3.266 -2.444 2.235) 4.651 3.242 ( -3.856 0.728 -2.912) 4.886 3.242 ( -3.856 0.728 2.912) 4.886 3.363 ( -2.888 -2.793 -2.521) 4.743 3.363 ( -2.888 -2.793 2.521) 4.743 3.505 ( 1.896 -4.026 -3.490) 5.655 3.505 ( 1.896 -4.026 3.490) 5.655 3.635 ( -1.313 1.313 -1.700) 2.518 3.635 ( -1.313 1.313 1.700) 2.518 3.844 ( 3.823 -2.010 -0.886) 4.409 3.844 ( 3.823 -2.010 0.886) 4.410 3.925 ( 3.878 2.726 -4.009) 6.209 3.925 ( 3.878 2.726 4.009) 6.209 4.038 ( 1.289 -0.066 -2.217) 2.565 4.038 ( 1.289 -0.066 2.217) 2.565 4.162 ( 3.022 -1.248 -1.994) 3.830 4.162 ( 3.022 -1.248 1.994) 3.830 4.442 ( 2.889 9.920 -2.161) 10.555 4.442 ( 2.889 9.920 2.161) 10.555 4.732 ( -4.060 1.777 -3.299) 5.525 4.732 ( -4.060 1.777 3.299) 5.525 4.807 ( -5.631 -0.112 -3.884) 6.841 4.807 ( -5.631 -0.112 3.884) 6.841 4.871 ( -2.076 0.684 -0.972) 2.392 4.871 ( -2.076 0.684 0.972) 2.392 5.149 ( 0.820 -0.122 -0.308) 0.884 5.149 ( 0.820 -0.122 0.308) 0.884 5.323 ( -1.903 -0.404 -4.572) 4.969 5.323 ( -1.903 -0.404 4.572) 4.969 5.451 ( 4.158 -3.531 -4.782) 7.254 5.451 ( 4.158 -3.531 4.782) 7.254 5.581 ( 0.805 7.906 -2.670) 8.383 5.581 ( 0.805 7.906 2.670) 8.383 5.735 ( -2.214 -7.945 -3.533) 8.972 5.735 ( -2.214 -7.945 3.533) 8.972 6.052 ( 0.292 -0.865 -0.754) 1.184 6.052 ( 0.292 -0.865 0.754) 1.184 6.261 ( -1.198 -5.439 -1.661) 5.811 6.261 ( -1.198 -5.439 1.661) 5.811 6.350 ( -0.124 2.413 -1.113) 2.661 6.350 ( -0.124 2.413 1.113) 2.661 6.461 ( -4.239 1.570 -4.705) 6.525 6.461 ( -4.239 1.570 4.705) 6.525 7.001 ( 0.111 0.433 -1.375) 1.446 7.001 ( 0.111 0.433 1.375) 1.446 7.261 ( -1.697 5.477 -5.033) 7.629 7.261 ( -1.697 5.477 5.033) 7.629 7.599 ( 3.040 -2.584 -2.842) 4.899 7.599 ( 3.040 -2.584 2.842) 4.899 7.860 ( 1.772 -5.802 -0.610) 6.097 7.860 ( 1.772 -5.802 0.610) 6.097 8.044 ( 1.235 -10.385 -3.431) 11.006 8.044 ( 1.235 -10.385 3.431) 11.006 8.388 ( 2.366 5.098 -2.102) 6.000 8.388 ( 2.366 5.098 2.102) 6.000 8.660 ( -3.512 -1.553 -1.293) 4.052 8.660 ( -3.512 -1.553 1.293) 4.052 9.125 ( 0.513 0.731 -2.741) 2.883 9.125 ( 0.513 0.731 2.741) 2.883 9.433 ( -0.599 1.776 -0.711) 2.005 9.433 ( -0.599 1.776 0.711) 2.005 9.857 ( -0.483 5.619 -0.339) 5.650 9.857 ( -0.483 5.619 0.339) 5.650 10.090 ( -0.850 2.292 -4.522) 5.140 10.090 ( -0.850 2.292 4.522) 5.140 10.293 ( 10.534 1.411 -2.602) 10.942 10.293 ( 10.534 1.411 2.602) 10.942 10.618 ( 1.711 0.614 -0.605) 1.916 10.618 ( 1.711 0.614 0.605) 1.916 10.890 ( -0.017 -1.613 -1.229) 2.028 10.890 ( -0.017 -1.613 1.229) 2.028 11.295 ( -9.320 -0.115 -7.554) 11.998 11.295 ( -9.320 -0.115 7.554) 11.998 11.539 ( -3.600 0.673 -9.960) 10.612 11.539 ( -3.600 0.673 9.960) 10.612 12.750 ( 4.373 -2.319 -0.640) 4.991 12.750 ( 4.373 -2.319 0.640) 4.991 12.961 ( -1.339 -0.575 -10.510) 10.610 12.961 ( -1.339 -0.575 10.510) 10.610 13.273 ( 0.901 -0.110 -1.722) 1.947 13.273 ( 0.901 -0.110 1.722) 1.947======================= Grid point 154 (54/60) =======================q-point: ( 0.40 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( 3.783 4.129 -5.710) 7.997 1.733 ( 3.783 4.129 5.710) 7.997 1.933 ( 1.154 14.014 -5.834) 15.224 1.933 ( 1.153 14.014 5.834) 15.224 2.243 ( 0.036 -3.361 -10.171) 10.712 2.243 ( 0.036 -3.361 10.171) 10.712 2.276 ( -2.710 -2.300 -10.282) 10.879 2.276 ( -2.710 -2.300 10.282) 10.879 2.489 ( 1.870 6.133 -4.249) 7.692 2.489 ( 1.870 6.133 4.249) 7.692 2.560 ( -4.123 4.625 -6.160) 8.737 2.560 ( -4.123 4.625 6.160) 8.737 2.789 ( 0.141 6.911 -1.562) 7.086 2.789 ( 0.141 6.911 1.562) 7.086 3.125 ( -0.842 -2.818 -1.636) 3.366 3.125 ( -0.842 -2.818 1.636) 3.366 3.216 ( 1.207 -1.134 -1.447) 2.200 3.216 ( 1.207 -1.134 1.447) 2.200 3.312 ( -2.076 -1.292 -0.926) 2.615 3.312 ( -2.076 -1.292 0.926) 2.615 3.534 ( 1.287 -1.117 -2.446) 2.981 3.534 ( 1.287 -1.117 2.446) 2.981 3.590 ( -2.484 1.108 -1.244) 2.991 3.590 ( -2.484 1.108 1.244) 2.991 3.928 ( 4.361 0.523 -1.107) 4.530 3.928 ( 4.361 0.523 1.107) 4.530 3.980 ( 0.680 -2.534 -0.663) 2.706 3.980 ( 0.680 -2.534 0.663) 2.706 4.043 ( -0.549 -0.609 -1.840) 2.014 4.043 ( -0.549 -0.609 1.840) 2.014 4.282 ( 9.332 -3.106 -2.417) 10.128 4.282 ( 9.332 -3.106 2.417) 10.128 4.499 ( 0.446 4.637 -1.216) 4.815 4.499 ( 0.446 4.637 1.216) 4.815 4.589 ( -8.018 5.629 -3.441) 10.383 4.589 ( -8.018 5.629 3.441) 10.383 4.696 ( -4.071 2.424 -4.166) 6.309 4.696 ( -4.071 2.424 4.166) 6.309 4.860 ( -0.086 0.977 -0.046) 0.982 4.860 ( -0.086 0.977 0.046) 0.982 5.188 ( 2.646 0.356 -1.308) 2.973 5.188 ( 2.646 0.356 1.308) 2.973 5.283 ( -2.213 0.454 -2.944) 3.711 5.283 ( -2.213 0.454 2.944) 3.711 5.511 ( 2.000 -3.170 -3.533) 5.150 5.511 ( 2.000 -3.170 3.533) 5.150 5.593 ( 0.206 8.138 -1.313) 8.246 5.593 ( 0.206 8.138 1.313) 8.246 5.693 ( -1.631 -6.766 -2.393) 7.360 5.693 ( -1.631 -6.766 2.393) 7.360 6.058 ( 0.221 -0.825 -0.486) 0.982 6.058 ( 0.221 -0.825 0.486) 0.982 6.231 ( -1.340 -2.784 -0.460) 3.123 6.231 ( -1.340 -2.784 0.460) 3.123 6.357 ( 0.945 1.273 -1.354) 2.085 6.357 ( 0.945 1.273 1.354) 2.085 6.397 ( -2.404 -1.940 -2.066) 3.717 6.397 ( -2.404 -1.940 2.066) 3.717 7.003 ( 0.105 1.651 -0.579) 1.753 7.003 ( 0.105 1.651 0.579) 1.753 7.232 ( -1.038 6.028 -1.864) 6.395 7.232 ( -1.038 6.028 1.864) 6.395 7.644 ( 1.371 -4.231 -1.234) 4.616 7.644 ( 1.371 -4.231 1.234) 4.616 7.890 ( 0.982 -5.500 -0.478) 5.607 7.890 ( 0.982 -5.500 0.478) 5.607 8.066 ( 0.831 -10.975 -1.555) 11.116 8.066 ( 0.831 -10.975 1.555) 11.116 8.444 ( 3.023 6.055 -1.242) 6.881 8.444 ( 3.023 6.055 1.242) 6.881 8.585 ( -3.668 -0.243 -1.336) 3.911 8.585 ( -3.668 -0.243 1.336) 3.911 9.134 ( 0.338 -0.549 -1.057) 1.238 9.134 ( 0.338 -0.549 1.057) 1.238 9.424 ( -0.275 1.404 -0.243) 1.451 9.424 ( -0.275 1.404 0.243) 1.451 9.852 ( -0.067 5.003 -0.136) 5.005 9.852 ( -0.067 5.003 0.136) 5.005 10.069 ( -0.850 0.639 -1.862) 2.144 10.069 ( -0.850 0.639 1.862) 2.144 10.498 ( 7.298 1.758 -2.375) 7.873 10.498 ( 7.298 1.758 2.375) 7.873 10.699 ( 9.372 -0.047 -4.625) 10.452 10.699 ( 9.372 -0.047 4.625) 10.452 10.875 ( -3.277 -2.201 -2.953) 4.930 10.875 ( -3.277 -2.201 2.953) 4.930 11.054 ( -12.886 0.225 -7.411) 14.867 11.054 ( -12.886 0.225 7.411) 14.867 11.505 ( -0.605 3.869 -2.163) 4.474 11.505 ( -0.605 3.869 2.163) 4.474 12.834 ( 4.040 1.427 -4.342) 6.101 12.834 ( 4.040 1.427 4.342) 6.101 12.922 ( -2.599 -3.889 -7.683) 8.995 12.922 ( -2.599 -3.889 7.683) 8.995 13.290 ( 0.597 -1.303 -0.774) 1.629 13.290 ( 0.597 -1.303 0.774) 1.629======================= Grid point 160 (55/60) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 0.000 9.158 -10.139) 13.662 1.730 ( 0.000 9.158 10.139) 13.662 2.034 ( 0.000 1.882 -15.972) 16.082 2.034 ( 0.000 1.882 15.972) 16.082 2.282 ( 0.000 0.459 -4.096) 4.121 2.282 ( 0.000 0.459 4.096) 4.121 2.485 ( 0.000 4.827 -1.033) 4.936 2.485 ( 0.000 4.827 1.033) 4.936 2.561 ( 0.000 0.188 -4.352) 4.356 2.561 ( 0.000 0.188 4.352) 4.356 2.709 ( 0.000 5.372 -5.434) 7.641 2.709 ( 0.000 5.372 5.434) 7.641 2.793 ( 0.000 0.793 -2.336) 2.467 2.793 ( 0.000 0.793 2.336) 2.467 3.193 ( 0.000 10.154 -2.205) 10.390 3.193 ( 0.000 10.154 2.205) 10.390 3.291 ( 0.000 -0.390 -2.487) 2.517 3.291 ( 0.000 -0.390 2.487) 2.517 3.369 ( 0.000 0.322 -1.337) 1.375 3.369 ( 0.000 0.322 1.337) 1.375 3.436 ( 0.000 2.673 -0.587) 2.736 3.436 ( 0.000 2.673 0.587) 2.736 3.587 ( 0.000 -3.535 -0.685) 3.601 3.587 ( 0.000 -3.535 0.685) 3.601 3.689 ( 0.000 -7.816 -1.805) 8.022 3.689 ( 0.000 -7.816 1.805) 8.022 4.007 ( 0.000 1.535 -1.847) 2.401 4.007 ( 0.000 1.535 1.847) 2.401 4.061 ( 0.000 8.009 -1.763) 8.201 4.061 ( 0.000 8.009 1.763) 8.201 4.188 ( 0.000 3.100 -0.340) 3.119 4.188 ( 0.000 3.100 0.340) 3.119 4.512 ( 0.000 1.253 -0.236) 1.275 4.512 ( 0.000 1.253 0.236) 1.275 4.746 ( 0.000 -6.530 -1.388) 6.676 4.746 ( 0.000 -6.530 1.388) 6.676 4.894 ( 0.000 0.338 -0.632) 0.717 4.894 ( 0.000 0.338 0.632) 0.717 5.013 ( 0.000 13.450 -2.786) 13.735 5.013 ( 0.000 13.450 2.786) 13.735 5.134 ( 0.000 0.016 -3.506) 3.506 5.134 ( 0.000 0.016 3.506) 3.506 5.241 ( 0.000 -6.790 -4.391) 8.086 5.241 ( 0.000 -6.790 4.391) 8.086 5.403 ( 0.000 1.985 -1.384) 2.420 5.403 ( 0.000 1.985 1.384) 2.420 5.547 ( 0.000 -6.391 -5.767) 8.608 5.547 ( 0.000 -6.391 5.767) 8.608 5.765 ( 0.000 5.778 -5.110) 7.714 5.765 ( 0.000 5.778 5.110) 7.714 6.022 ( 0.000 -2.783 -0.429) 2.816 6.022 ( 0.000 -2.783 0.429) 2.816 6.150 ( 0.000 -4.258 -2.945) 5.177 6.150 ( 0.000 -4.258 2.945) 5.177 6.377 ( 0.000 -0.312 -1.735) 1.763 6.377 ( 0.000 -0.312 1.735) 1.763 6.554 ( 0.000 1.124 -9.930) 9.993 6.554 ( 0.000 1.124 9.930) 9.993 6.962 ( 0.000 -4.158 -0.556) 4.195 6.962 ( 0.000 -4.158 0.556) 4.195 7.387 ( 0.000 4.678 -4.454) 6.459 7.387 ( 0.000 4.678 4.454) 6.459 7.491 ( 0.000 -5.575 -1.655) 5.816 7.491 ( 0.000 -5.575 1.655) 5.816 7.727 ( 0.000 -3.094 -2.056) 3.715 7.727 ( 0.000 -3.094 2.056) 3.715 7.877 ( 0.000 -5.615 -3.980) 6.883 7.877 ( 0.000 -5.615 3.980) 6.883 8.425 ( 0.000 1.719 -1.360) 2.192 8.425 ( 0.000 1.719 1.360) 2.192 8.657 ( 0.000 -1.029 -0.610) 1.196 8.657 ( 0.000 -1.029 0.610) 1.196 9.191 ( 0.000 5.155 -3.619) 6.298 9.191 ( 0.000 5.155 3.619) 6.298 9.471 ( 0.000 1.235 -2.607) 2.884 9.471 ( 0.000 1.235 2.607) 2.884 9.987 ( 0.000 5.001 -0.244) 5.007 9.987 ( 0.000 5.001 0.244) 5.007 10.152 ( 0.000 -0.538 -1.270) 1.379 10.152 ( 0.000 -0.538 1.270) 1.379 10.224 ( 0.000 4.825 -3.676) 6.066 10.224 ( 0.000 4.825 3.676) 6.066 10.591 ( 0.000 -1.992 -2.317) 3.056 10.591 ( 0.000 -1.992 2.317) 3.056 10.881 ( 0.000 1.755 -0.959) 2.000 10.881 ( 0.000 1.755 0.959) 2.000 11.345 ( 0.000 -6.947 -12.087) 13.941 11.345 ( 0.000 -6.947 12.087) 13.941 11.605 ( 0.000 6.516 -1.269) 6.638 11.605 ( 0.000 6.516 1.269) 6.638 12.532 ( 0.000 -13.173 -7.337) 15.079 12.532 ( 0.000 -13.173 7.337) 15.079 13.040 ( 0.000 6.193 -3.696) 7.212 13.040 ( 0.000 6.193 3.696) 7.212 13.292 ( 0.000 1.493 -1.261) 1.954 13.292 ( 0.000 1.493 1.261) 1.954======================= Grid point 162 (56/60) =======================q-point: ( 0.20 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 3.380 7.301 -8.489) 11.696 1.765 ( 3.380 7.301 8.489) 11.696 2.061 ( 2.242 0.813 -14.911) 15.100 2.061 ( 2.242 0.813 14.911) 15.100 2.223 ( -5.174 -2.506 -1.848) 6.039 2.223 ( -5.174 -2.506 1.848) 6.039 2.415 ( -3.943 8.751 -6.624) 11.662 2.415 ( -3.943 8.751 6.624) 11.662 2.597 ( 1.282 2.662 -4.285) 5.205 2.597 ( 1.282 2.662 4.285) 5.205 2.698 ( -1.115 7.013 -5.245) 8.828 2.698 ( -1.115 7.013 5.245) 8.828 2.854 ( 4.804 -1.424 -5.335) 7.319 2.854 ( 4.804 -1.424 5.335) 7.319 3.183 ( -3.194 3.480 -1.302) 4.900 3.183 ( -3.194 3.480 1.302) 4.900 3.226 ( -3.572 3.424 -3.404) 6.006 3.226 ( -3.572 3.424 3.404) 6.006 3.331 ( -1.629 3.269 -2.478) 4.413 3.331 ( -1.629 3.269 2.478) 4.413 3.466 ( 2.813 0.279 -1.722) 3.310 3.466 ( 2.813 0.279 1.722) 3.310 3.636 ( 2.046 -1.316 -1.177) 2.702 3.636 ( 2.046 -1.316 1.177) 2.702 3.720 ( 3.059 -7.589 -2.640) 8.598 3.720 ( 3.059 -7.589 2.640) 8.598 4.040 ( 3.413 4.205 -5.258) 7.549 4.040 ( 3.413 4.205 5.258) 7.549 4.063 ( 0.927 4.016 -3.840) 5.633 4.063 ( 0.927 4.016 3.840) 5.633 4.165 ( -2.153 1.113 -2.143) 3.235 4.165 ( -2.153 1.113 2.143) 3.235 4.517 ( -0.599 -0.214 -2.578) 2.656 4.517 ( -0.599 -0.214 2.578) 2.656 4.719 ( -2.976 -4.230 -0.780) 5.230 4.719 ( -2.976 -4.230 0.780) 5.230 4.855 ( -1.999 -0.801 -1.550) 2.653 4.855 ( -1.999 -0.801 1.550) 2.653 4.993 ( -2.080 14.708 -3.256) 15.207 4.993 ( -2.080 14.708 3.256) 15.207 5.163 ( 2.663 2.475 -1.400) 3.896 5.163 ( 2.663 2.475 1.400) 3.896 5.279 ( 2.796 -5.423 -6.296) 8.767 5.279 ( 2.796 -5.423 6.296) 8.767 5.400 ( 0.300 -0.563 -1.670) 1.788 5.400 ( 0.300 -0.563 1.670) 1.788 5.544 ( -0.610 -5.889 -5.849) 8.322 5.544 ( -0.610 -5.889 5.849) 8.322 5.759 ( -0.562 5.046 -3.931) 6.421 5.759 ( -0.562 5.046 3.931) 6.421 6.019 ( -0.369 -3.612 -0.531) 3.670 6.019 ( -0.369 -3.612 0.531) 3.670 6.164 ( 1.720 -2.562 -2.426) 3.925 6.164 ( 1.720 -2.562 2.426) 3.925 6.376 ( -0.186 -0.160 -1.683) 1.701 6.376 ( -0.186 -0.160 1.683) 1.701 6.484 ( -6.472 1.554 -7.438) 9.981 6.484 ( -6.472 1.554 7.438) 9.981 6.975 ( 1.075 -4.528 -0.655) 4.700 6.975 ( 1.075 -4.528 0.655) 4.700 7.379 ( -0.425 4.911 -3.878) 6.271 7.379 ( -0.425 4.911 3.878) 6.271 7.515 ( 1.385 -4.124 -2.033) 4.802 7.515 ( 1.385 -4.124 2.033) 4.802 7.743 ( 1.935 -4.706 -0.825) 5.155 7.743 ( 1.935 -4.706 0.825) 5.155 7.876 ( -0.232 -6.303 -3.430) 7.179 7.876 ( -0.232 -6.303 3.430) 7.179 8.452 ( 2.788 1.710 -1.142) 3.464 8.452 ( 2.788 1.710 1.142) 3.464 8.637 ( -2.079 -0.586 -1.060) 2.406 8.637 ( -2.079 -0.586 1.060) 2.406 9.189 ( -0.189 5.415 -2.973) 6.181 9.189 ( -0.189 5.415 2.973) 6.181 9.463 ( -0.690 1.212 -2.242) 2.640 9.463 ( -0.690 1.212 2.242) 2.640 9.954 ( -2.240 3.677 -1.022) 4.426 9.954 ( -2.240 3.677 1.022) 4.426 10.112 ( -2.955 -0.670 -4.015) 5.030 10.112 ( -2.955 -0.670 4.015) 5.030 10.345 ( 10.353 3.582 -2.532) 11.244 10.345 ( 10.353 3.582 2.532) 11.244 10.617 ( 2.467 -1.156 -1.679) 3.200 10.617 ( 2.467 -1.156 1.679) 3.200 10.879 ( -0.238 1.300 -1.615) 2.087 10.879 ( -0.238 1.300 1.615) 2.087 11.240 ( -10.015 -5.575 -11.003) 15.889 11.240 ( -10.015 -5.575 11.003) 15.889 11.620 ( 1.122 7.977 -3.602) 8.825 11.620 ( 1.122 7.977 3.602) 8.825 12.572 ( 3.728 -14.551 -5.274) 15.920 12.572 ( 3.728 -14.551 5.274) 15.920 13.028 ( -1.220 6.710 -3.189) 7.529 13.028 ( -1.220 6.710 3.189) 7.529 13.290 ( -0.107 1.106 -0.982) 1.483 13.290 ( -0.107 1.106 0.982) 1.483======================= Grid point 164 (57/60) =======================q-point: ( 0.40 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 2.722 4.379 -3.482) 6.222 1.830 ( 2.722 4.379 3.482) 6.222 2.050 ( -2.866 -5.933 -3.930) 7.672 2.050 ( -2.866 -5.933 3.930) 7.672 2.206 ( 3.498 1.620 -5.453) 6.678 2.206 ( 3.498 1.620 5.453) 6.678 2.342 ( -4.018 11.515 -7.869) 14.514 2.342 ( -4.018 11.515 7.869) 14.514 2.606 ( -0.049 3.445 -2.314) 4.150 2.606 ( -0.049 3.445 2.314) 4.150 2.683 ( -0.294 9.272 -3.761) 10.010 2.683 ( -0.294 9.272 3.761) 10.010 2.923 ( 2.419 -1.017 -4.007) 4.790 2.923 ( 2.419 -1.017 4.007) 4.790 3.071 ( -4.836 -3.732 -2.737) 6.694 3.071 ( -4.836 -3.732 2.737) 6.694 3.240 ( 1.876 9.072 -1.221) 9.344 3.240 ( 1.876 9.072 1.221) 9.344 3.305 ( -1.340 2.262 -1.425) 2.991 3.305 ( -1.340 2.262 1.425) 2.991 3.519 ( 2.233 -0.434 -1.387) 2.664 3.519 ( 2.233 -0.434 1.387) 2.664 3.633 ( -1.351 2.683 -0.579) 3.059 3.633 ( -1.351 2.683 0.579) 3.059 3.785 ( 3.023 -9.084 -1.669) 9.718 3.785 ( 3.023 -9.084 1.669) 9.718 4.050 ( -0.094 3.578 -0.790) 3.665 4.050 ( -0.094 3.578 0.790) 3.665 4.080 ( -2.321 3.009 -1.192) 3.983 4.080 ( -2.321 3.009 1.192) 3.983 4.225 ( 9.951 -2.170 -3.449) 10.753 4.225 ( 9.951 -2.170 3.449) 10.753 4.422 ( -9.517 -3.761 -3.275) 10.744 4.422 ( -9.517 -3.761 3.275) 10.744 4.692 ( 0.399 0.353 -1.655) 1.739 4.692 ( 0.399 0.353 1.655) 1.739 4.843 ( 0.089 -1.706 -1.151) 2.060 4.843 ( 0.089 -1.706 1.151) 2.060 4.950 ( -1.845 17.305 -2.084) 17.527 4.950 ( -1.845 17.305 2.084) 17.527 5.220 ( 3.052 3.232 -1.049) 4.567 5.220 ( 3.052 3.232 1.049) 4.567 5.291 ( -1.417 -0.106 -3.273) 3.568 5.291 ( -1.417 -0.106 3.273) 3.568 5.442 ( 3.861 -6.062 -5.564) 9.089 5.442 ( 3.861 -6.062 5.564) 9.089 5.513 ( -2.841 -4.033 -6.500) 8.160 5.513 ( -2.841 -4.033 6.500) 8.160 5.749 ( -0.343 2.746 -1.260) 3.041 5.749 ( -0.343 2.746 1.260) 3.041 6.011 ( -0.376 -4.735 -0.341) 4.762 6.011 ( -0.376 -4.735 0.341) 4.762 6.218 ( 3.818 2.183 -2.005) 4.833 6.218 ( 3.818 2.183 2.005) 4.833 6.342 ( -5.068 -0.375 -3.527) 6.186 6.342 ( -5.068 -0.375 3.527) 6.186 6.389 ( -1.134 0.281 -1.211) 1.683 6.389 ( -1.134 0.281 1.211) 1.683 6.991 ( 0.476 -4.899 -0.291) 4.930 6.991 ( 0.476 -4.899 0.291) 4.930 7.376 ( 0.050 7.646 -1.925) 7.885 7.376 ( 0.050 7.646 1.925) 7.885 7.523 ( -0.166 -5.341 -1.643) 5.590 7.523 ( -0.166 -5.341 1.643) 5.590 7.791 ( 2.422 -4.625 -1.524) 5.439 7.791 ( 2.422 -4.625 1.524) 5.439 7.865 ( -0.890 -8.688 -2.156) 8.996 7.865 ( -0.890 -8.688 2.156) 8.996 8.516 ( 3.710 1.558 -1.079) 4.166 8.516 ( 3.710 1.558 1.079) 4.166 8.586 ( -3.312 0.263 -1.304) 3.569 8.586 ( -3.312 0.263 1.304) 3.569 9.186 ( -0.122 5.811 -1.161) 5.927 9.186 ( -0.122 5.811 1.161) 5.927 9.451 ( -0.398 1.014 -0.922) 1.427 9.451 ( -0.398 1.014 0.922) 1.427 9.928 ( -0.557 2.335 -0.193) 2.408 9.928 ( -0.557 2.335 0.193) 2.408 10.065 ( -1.622 -1.534 -1.893) 2.927 10.065 ( -1.622 -1.534 1.893) 2.927 10.537 ( 7.754 1.835 -2.403) 8.323 10.537 ( 7.754 1.835 2.403) 8.323 10.670 ( 3.290 -2.394 -1.960) 4.516 10.670 ( 3.290 -2.394 1.960) 4.516 10.870 ( -0.972 1.616 -3.186) 3.702 10.870 ( -0.972 1.616 3.186) 3.702 11.039 ( -9.112 -1.809 -5.592) 10.843 11.039 ( -9.112 -1.809 5.592) 10.843 11.636 ( 0.456 9.739 -1.572) 9.875 11.636 ( 0.456 9.739 1.572) 9.875 12.637 ( 2.364 -17.026 -1.650) 17.268 12.637 ( 2.364 -17.026 1.650) 17.268 13.003 ( -1.027 8.147 -1.380) 8.326 13.003 ( -1.027 8.147 1.380) 8.326 13.289 ( -0.042 0.480 -0.362) 0.603 13.289 ( -0.042 0.480 0.362) 0.603======================= Grid point 170 (58/60) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 0.000 4.126 -0.749) 4.194 1.883 ( 0.000 4.126 0.749) 4.194 2.064 ( 0.000 4.314 -0.218) 4.320 2.064 ( 0.000 4.314 0.218) 4.320 2.215 ( 0.000 -6.352 -3.529) 7.267 2.215 ( 0.000 -6.352 3.529) 7.267 2.421 ( 0.000 -3.571 -2.643) 4.442 2.421 ( 0.000 -3.571 2.643) 4.442 2.674 ( 0.000 3.685 -1.825) 4.112 2.674 ( 0.000 3.685 1.825) 4.112 2.821 ( 0.000 1.345 -0.172) 1.355 2.821 ( 0.000 1.345 0.172) 1.355 2.871 ( 0.000 8.329 -2.764) 8.776 2.871 ( 0.000 8.329 2.764) 8.776 3.181 ( 0.000 -4.467 -0.281) 4.476 3.181 ( 0.000 -4.467 0.281) 4.476 3.325 ( 0.000 3.748 -2.817) 4.689 3.325 ( 0.000 3.748 2.817) 4.689 3.393 ( 0.000 -0.105 -2.190) 2.193 3.393 ( 0.000 -0.105 2.190) 2.193 3.471 ( 0.000 -5.757 -1.091) 5.859 3.471 ( 0.000 -5.757 1.091) 5.859 3.556 ( 0.000 -3.762 -2.007) 4.264 3.556 ( 0.000 -3.762 2.007) 4.264 3.718 ( 0.000 15.231 -0.461) 15.238 3.718 ( 0.000 15.231 0.461) 15.238 4.052 ( 0.000 0.338 -0.568) 0.661 4.052 ( 0.000 0.338 0.568) 0.661 4.125 ( 0.000 -0.195 -0.811) 0.834 4.125 ( 0.000 -0.195 0.811) 0.834 4.229 ( 0.000 0.333 -0.629) 0.712 4.229 ( 0.000 0.333 0.629) 0.712 4.559 ( 0.000 0.544 -1.253) 1.366 4.559 ( 0.000 0.544 1.253) 1.366 4.615 ( 0.000 -1.807 -1.975) 2.677 4.615 ( 0.000 -1.807 1.975) 2.677 4.886 ( 0.000 1.340 -4.553) 4.746 4.886 ( 0.000 1.340 4.553) 4.746 5.009 ( 0.000 -8.821 -5.572) 10.434 5.009 ( 0.000 -8.821 5.572) 10.434 5.148 ( 0.000 -0.613 -0.172) 0.637 5.148 ( 0.000 -0.613 0.172) 0.637 5.299 ( 0.000 5.094 -2.509) 5.679 5.299 ( 0.000 5.094 2.509) 5.679 5.460 ( 0.000 2.146 -1.662) 2.714 5.460 ( 0.000 2.146 1.662) 2.714 5.529 ( 0.000 7.551 -5.503) 9.343 5.529 ( 0.000 7.551 5.503) 9.343 5.819 ( 0.000 -1.195 -4.415) 4.574 5.819 ( 0.000 -1.195 4.415) 4.574 5.884 ( 0.000 -7.990 -4.056) 8.960 5.884 ( 0.000 -7.990 4.056) 8.960 6.157 ( 0.000 2.444 -0.394) 2.475 6.157 ( 0.000 2.444 0.394) 2.475 6.352 ( 0.000 -1.521 -1.451) 2.102 6.352 ( 0.000 -1.521 1.451) 2.102 6.598 ( 0.000 3.892 -7.628) 8.563 6.598 ( 0.000 3.892 7.628) 8.563 6.815 ( 0.000 -8.823 -2.663) 9.216 6.815 ( 0.000 -8.823 2.663) 9.216 7.385 ( 0.000 -1.580 -1.754) 2.361 7.385 ( 0.000 -1.580 1.754) 2.361 7.480 ( 0.000 1.684 -0.180) 1.693 7.480 ( 0.000 1.684 0.180) 1.693 7.725 ( 0.000 1.981 -0.010) 1.981 7.725 ( 0.000 1.981 0.010) 1.981 7.790 ( 0.000 -3.608 -2.767) 4.547 7.790 ( 0.000 -3.608 2.767) 4.547 8.443 ( 0.000 0.374 -0.368) 0.525 8.443 ( 0.000 0.374 0.368) 0.525 8.648 ( 0.000 -0.124 -0.388) 0.407 8.648 ( 0.000 -0.124 0.388) 0.407 9.286 ( 0.000 3.279 -2.243) 3.973 9.286 ( 0.000 3.279 2.243) 3.973 9.489 ( 0.000 0.511 -1.983) 2.048 9.489 ( 0.000 0.511 1.983) 2.048 10.063 ( 0.000 2.999 -1.666) 3.430 10.063 ( 0.000 2.999 1.666) 3.430 10.116 ( 0.000 -2.412 -1.843) 3.036 10.116 ( 0.000 -2.412 1.843) 3.036 10.313 ( 0.000 3.090 -1.043) 3.262 10.313 ( 0.000 3.090 1.043) 3.262 10.535 ( 0.000 -2.619 -1.109) 2.844 10.535 ( 0.000 -2.619 1.109) 2.844 10.968 ( 0.000 6.341 -3.499) 7.242 10.968 ( 0.000 6.341 3.499) 7.242 11.166 ( 0.000 -9.148 -8.951) 12.798 11.166 ( 0.000 -9.148 8.951) 12.798 11.785 ( 0.000 9.001 -2.471) 9.334 11.785 ( 0.000 9.001 2.471) 9.334 12.260 ( 0.000 -11.526 -4.710) 12.451 12.260 ( 0.000 -11.526 4.710) 12.451 13.166 ( 0.000 5.062 -0.810) 5.127 13.166 ( 0.000 5.062 0.810) 5.127 13.298 ( 0.000 -0.891 -0.621) 1.086 13.298 ( 0.000 -0.891 0.621) 1.086======================= Grid point 172 (59/60) =======================q-point: ( 0.20 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -1.091 1.876 -3.919) 4.479 1.865 ( -1.091 1.876 3.919) 4.479 2.036 ( -4.577 -0.823 -1.301) 4.829 2.036 ( -4.577 -0.823 1.301) 4.829 2.215 ( 3.003 1.840 -4.961) 6.084 2.215 ( 3.003 1.840 4.961) 6.084 2.472 ( 2.831 -3.104 -3.977) 5.785 2.472 ( 2.831 -3.104 3.977) 5.785 2.674 ( 0.626 4.316 -1.855) 4.739 2.674 ( 0.626 4.316 1.855) 4.739 2.818 ( -0.433 1.592 -8.343) 8.505 2.818 ( -0.433 1.592 8.343) 8.505 2.867 ( -0.351 5.122 -4.794) 7.024 2.867 ( -0.351 5.122 4.794) 7.024 3.096 ( -7.318 -4.907 -0.839) 8.851 3.096 ( -7.318 -4.907 0.839) 8.851 3.328 ( 0.893 5.681 -1.972) 6.080 3.328 ( 0.893 5.681 1.972) 6.080 3.435 ( 2.775 0.897 -1.439) 3.252 3.435 ( 2.775 0.897 1.439) 3.252 3.503 ( 2.310 -6.383 -1.726) 7.004 3.503 ( 2.310 -6.383 1.726) 7.004 3.533 ( -0.523 -0.973 -2.005) 2.289 3.533 ( -0.523 -0.973 2.005) 2.289 3.763 ( 2.874 12.052 -4.384) 13.142 3.763 ( 2.874 12.052 4.384) 13.142 4.041 ( -1.216 -5.891 -4.956) 7.794 4.041 ( -1.216 -5.891 4.956) 7.794 4.138 ( 1.919 3.632 -3.985) 5.723 4.138 ( 1.919 3.632 3.985) 5.723 4.193 ( -3.152 1.648 -0.482) 3.589 4.193 ( -3.152 1.648 0.482) 3.589 4.536 ( -3.549 0.809 -0.982) 3.770 4.536 ( -3.549 0.809 0.982) 3.770 4.602 ( -0.421 -4.934 -0.749) 5.008 4.602 ( -0.421 -4.934 0.749) 5.008 4.881 ( 0.394 5.156 -4.763) 7.030 4.881 ( 0.394 5.156 4.763) 7.030 5.048 ( 2.603 -8.504 -4.384) 9.916 5.048 ( 2.603 -8.504 4.384) 9.916 5.171 ( 2.585 -1.416 -0.589) 3.005 5.171 ( 2.585 -1.416 0.589) 3.005 5.323 ( 2.230 4.457 -1.424) 5.183 5.323 ( 2.230 4.457 1.424) 5.183 5.430 ( -2.375 4.128 -1.271) 4.929 5.430 ( -2.375 4.128 1.271) 4.929 5.540 ( 0.656 6.642 -5.260) 8.498 5.540 ( 0.656 6.642 5.260) 8.498 5.798 ( -2.525 -0.502 -3.690) 4.499 5.798 ( -2.525 -0.502 3.690) 4.499 5.867 ( -1.248 -9.748 -3.655) 10.486 5.867 ( -1.248 -9.748 3.655) 10.486 6.186 ( 2.992 2.346 -0.793) 3.883 6.186 ( 2.992 2.346 0.793) 3.883 6.351 ( -0.245 -1.598 -1.362) 2.113 6.351 ( -0.245 -1.598 1.362) 2.113 6.565 ( -3.247 7.031 -6.927) 10.391 6.565 ( -3.247 7.031 6.927) 10.391 6.800 ( -1.189 -11.199 -2.884) 11.626 6.800 ( -1.189 -11.199 2.884) 11.626 7.406 ( 2.408 0.074 -1.690) 2.943 7.406 ( 2.408 0.074 1.690) 2.943 7.519 ( 3.195 1.426 -0.648) 3.558 7.519 ( 3.195 1.426 0.648) 3.558 7.701 ( -2.121 0.822 -0.990) 2.481 7.701 ( -2.121 0.822 0.990) 2.481 7.778 ( -1.210 -3.935 -2.913) 5.044 7.778 ( -1.210 -3.935 2.913) 5.044 8.469 ( 2.631 0.308 -0.325) 2.669 8.469 ( 2.631 0.308 0.325) 2.669 8.633 ( -1.636 -0.041 -0.487) 1.707 8.633 ( -1.636 -0.041 0.487) 1.707 9.298 ( 1.236 4.104 -2.130) 4.787 9.298 ( 1.236 4.104 2.130) 4.787 9.476 ( -1.362 0.072 -2.051) 2.463 9.476 ( -1.362 0.072 2.051) 2.463 10.009 ( -3.949 2.303 -2.208) 5.076 10.009 ( -3.949 2.303 2.208) 5.076 10.072 ( -3.691 -2.697 -3.278) 5.626 10.072 ( -3.691 -2.697 3.278) 5.626 10.410 ( 8.198 2.311 -1.482) 8.646 10.410 ( 8.198 2.311 1.482) 8.646 10.580 ( 3.981 -1.829 -1.078) 4.512 10.580 ( 3.981 -1.829 1.078) 4.512 10.947 ( -2.017 4.901 -3.159) 6.170 10.947 ( -2.017 4.901 3.159) 6.170 11.106 ( -5.818 -6.819 -7.338) 11.584 11.106 ( -5.818 -6.819 7.338) 11.584 11.827 ( 3.801 11.036 -2.936) 12.036 11.827 ( 3.801 11.036 2.936) 12.036 12.263 ( 0.229 -14.006 -4.090) 14.593 12.263 ( 0.229 -14.006 4.090) 14.593 13.165 ( -0.058 5.737 -0.706) 5.781 13.165 ( -0.058 5.737 0.706) 5.781 13.288 ( -0.926 -1.476 -0.486) 1.809 13.288 ( -0.926 -1.476 0.486) 1.809======================= Grid point 174 (60/60) =======================q-point: ( 0.40 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 1.190 -0.233 -3.024) 3.258 1.865 ( 1.190 -0.233 3.024) 3.258 1.939 ( -4.445 -3.295 -1.766) 5.808 1.939 ( -4.445 -3.295 1.766) 5.808 2.300 ( 4.379 7.239 -4.127) 9.413 2.300 ( 4.379 7.239 4.127) 9.413 2.474 ( -1.935 -1.675 -4.487) 5.165 2.474 ( -1.935 -1.675 4.487) 5.165 2.708 ( 2.200 6.837 -2.883) 7.739 2.708 ( 2.200 6.837 2.883) 7.739 2.807 ( -0.463 1.966 -7.538) 7.803 2.807 ( -0.463 1.966 7.538) 7.803 2.866 ( 0.507 -0.393 -3.889) 3.942 2.866 ( 0.507 -0.393 3.889) 3.942 2.965 ( -5.494 -5.897 -2.199) 8.354 2.965 ( -5.494 -5.897 2.199) 8.354 3.359 ( 1.780 6.787 -0.309) 7.023 3.359 ( 1.780 6.787 0.309) 7.023 3.456 ( -0.360 3.310 -1.655) 3.718 3.456 ( -0.360 3.310 1.655) 3.718 3.518 ( 0.678 -0.041 -0.698) 0.974 3.518 ( 0.678 -0.041 0.698) 0.974 3.571 ( 2.162 -8.015 -1.311) 8.404 3.571 ( 2.162 -8.015 1.311) 8.404 3.789 ( 0.311 10.879 -2.873) 11.257 3.789 ( 0.311 10.879 2.873) 11.257 4.008 ( -1.735 -8.452 -3.505) 9.313 4.008 ( -1.735 -8.452 3.505) 9.313 4.143 ( -1.363 3.942 -0.147) 4.174 4.143 ( -1.363 3.942 0.147) 4.174 4.206 ( 4.032 -1.170 -4.401) 6.082 4.206 ( 4.032 -1.170 4.401) 6.082 4.441 ( -4.959 5.834 -2.331) 8.003 4.441 ( -4.959 5.834 2.331) 8.003 4.605 ( 0.227 -8.546 -0.339) 8.555 4.605 ( 0.227 -8.546 0.339) 8.555 4.897 ( 0.825 7.854 -2.240) 8.209 4.897 ( 0.825 7.854 2.240) 8.209 5.077 ( 0.598 -6.382 -1.368) 6.554 5.077 ( 0.598 -6.382 1.368) 6.554 5.239 ( 4.342 -1.736 -0.975) 4.777 5.239 ( 4.342 -1.736 0.975) 4.777 5.318 ( -3.529 -0.445 -0.236) 3.565 5.318 ( -3.529 -0.445 0.236) 3.565 5.436 ( 2.885 10.456 -1.765) 10.989 5.436 ( 2.885 10.456 1.765) 10.989 5.540 ( -0.732 4.383 -4.504) 6.328 5.540 ( -0.732 4.383 4.504) 6.328 5.740 ( -2.610 -1.062 -1.305) 3.106 5.740 ( -2.610 -1.062 1.305) 3.106 5.852 ( -0.371 -10.623 -1.132) 10.690 5.852 ( -0.371 -10.623 1.132) 10.690 6.257 ( 4.138 1.226 -1.097) 4.453 6.257 ( 4.138 1.226 1.097) 4.453 6.332 ( -2.076 -1.652 -0.355) 2.676 6.332 ( -2.076 -1.652 0.355) 2.676 6.503 ( -2.394 12.010 -3.176) 12.652 6.503 ( -2.394 12.010 3.176) 12.652 6.783 ( -0.526 -14.284 -1.337) 14.356 6.783 ( -0.526 -14.284 1.337) 14.356 7.469 ( 3.998 2.348 -2.253) 5.155 7.469 ( 3.998 2.348 2.253) 5.155 7.539 ( -2.029 3.825 -1.586) 4.612 7.539 ( -2.029 3.825 1.586) 4.612 7.689 ( 1.604 -3.629 -1.547) 4.258 7.689 ( 1.604 -3.629 1.547) 4.258 7.745 ( -2.330 -4.248 -2.746) 5.569 7.745 ( -2.330 -4.248 2.746) 5.569 8.529 ( 3.497 0.195 -0.437) 3.530 8.529 ( 3.497 0.195 0.437) 3.530 8.590 ( -2.925 0.096 -0.552) 2.978 8.590 ( -2.925 0.096 0.552) 2.978 9.325 ( 1.270 6.676 -1.264) 6.912 9.325 ( 1.270 6.676 1.264) 6.912 9.446 ( -1.425 -1.921 -1.316) 2.730 9.446 ( -1.425 -1.921 1.316) 2.730 9.959 ( -1.224 1.433 -0.790) 2.044 9.959 ( -1.224 1.433 0.790) 2.044 10.012 ( -2.140 -3.138 -1.578) 4.113 10.012 ( -2.140 -3.138 1.578) 4.113 10.562 ( 7.092 0.642 -1.291) 7.237 10.562 ( 7.092 0.642 1.291) 7.237 10.635 ( 0.523 -0.909 -0.254) 1.079 10.635 ( 0.523 -0.909 0.254) 1.079 10.914 ( -0.546 2.451 -2.191) 3.333 10.914 ( -0.546 2.451 2.191) 3.333 10.990 ( -5.417 -2.695 -3.406) 6.943 10.990 ( -5.417 -2.695 3.406) 6.943 11.890 ( 2.201 15.484 -1.557) 15.717 11.890 ( 2.201 15.484 1.557) 15.717 12.266 ( 0.067 -18.908 -1.785) 18.992 12.266 ( 0.067 -18.908 1.785) 18.992 13.164 ( -0.042 7.162 -0.314) 7.169 13.164 ( -0.042 7.162 0.314) 7.169 13.272 ( -0.587 -2.713 -0.184) 2.781 13.272 ( -0.587 -2.713 0.184) 2.781=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 749.465 743.017 840.116 0.000 0.000 0.000 3/26880 20.0 76.265 98.392 76.359 0.000 0.000 0.000 3/26880 30.0 22.276 30.473 22.714 0.000 0.000 0.000 3/26880 40.0 10.768 15.106 11.155 0.000 0.000 0.000 3/26880 50.0 6.654 9.474 6.949 0.000 0.000 0.000 3/26880 60.0 4.712 6.780 4.939 0.000 0.000 0.000 3/26880 70.0 3.626 5.261 3.806 0.000 0.000 0.000 3/26880 80.0 2.947 4.304 3.094 0.000 0.000 0.000 3/26880 90.0 2.487 3.653 2.610 0.000 0.000 0.000 3/26880 100.0 2.157 3.184 2.262 0.000 0.000 0.000 3/26880 110.0 1.910 2.830 2.000 0.000 0.000 0.000 3/26880 120.0 1.717 2.554 1.797 0.000 0.000 0.000 3/26880 130.0 1.563 2.332 1.634 0.000 0.000 0.000 3/26880 140.0 1.436 2.149 1.500 0.000 0.000 0.000 3/26880 150.0 1.330 1.996 1.388 0.000 0.000 0.000 3/26880 160.0 1.240 1.865 1.293 0.000 0.000 0.000 3/26880 170.0 1.163 1.752 1.211 0.000 0.000 0.000 3/26880 180.0 1.095 1.653 1.139 0.000 0.000 0.000 3/26880 190.0 1.035 1.565 1.076 0.000 0.000 0.000 3/26880 200.0 0.981 1.487 1.020 0.000 0.000 0.000 3/26880 210.0 0.934 1.416 0.970 0.000 0.000 0.000 3/26880 220.0 0.890 1.353 0.925 0.000 0.000 0.000 3/26880 230.0 0.851 1.295 0.884 0.000 0.000 0.000 3/26880 240.0 0.816 1.242 0.847 0.000 0.000 0.000 3/26880 250.0 0.783 1.193 0.812 0.000 0.000 0.000 3/26880 260.0 0.753 1.148 0.781 0.000 0.000 0.000 3/26880 270.0 0.725 1.107 0.752 0.000 0.000 0.000 3/26880 280.0 0.699 1.068 0.725 0.000 0.000 0.000 3/26880 290.0 0.675 1.032 0.700 0.000 0.000 0.000 3/26880 300.0 0.652 0.998 0.676 0.000 0.000 0.000 3/26880 310.0 0.631 0.967 0.655 0.000 0.000 0.000 3/26880 320.0 0.612 0.937 0.634 0.000 0.000 0.000 3/26880 330.0 0.593 0.910 0.615 0.000 0.000 0.000 3/26880 340.0 0.576 0.884 0.597 0.000 0.000 0.000 3/26880 350.0 0.560 0.859 0.580 0.000 0.000 0.000 3/26880 360.0 0.544 0.836 0.564 0.000 0.000 0.000 3/26880 370.0 0.530 0.813 0.549 0.000 0.000 0.000 3/26880 380.0 0.516 0.793 0.534 0.000 0.000 0.000 3/26880 390.0 0.503 0.773 0.521 0.000 0.000 0.000 3/26880 400.0 0.490 0.754 0.508 0.000 0.000 0.000 3/26880 410.0 0.478 0.736 0.495 0.000 0.000 0.000 3/26880 420.0 0.467 0.718 0.484 0.000 0.000 0.000 3/26880 430.0 0.456 0.702 0.472 0.000 0.000 0.000 3/26880 440.0 0.446 0.686 0.462 0.000 0.000 0.000 3/26880 450.0 0.436 0.671 0.451 0.000 0.000 0.000 3/26880 460.0 0.427 0.657 0.442 0.000 0.000 0.000 3/26880 470.0 0.418 0.643 0.432 0.000 0.000 0.000 3/26880 480.0 0.409 0.630 0.423 0.000 0.000 0.000 3/26880 490.0 0.401 0.617 0.415 0.000 0.000 0.000 3/26880 500.0 0.393 0.605 0.406 0.000 0.000 0.000 3/26880 510.0 0.385 0.594 0.399 0.000 0.000 0.000 3/26880 520.0 0.378 0.582 0.391 0.000 0.000 0.000 3/26880 530.0 0.371 0.571 0.384 0.000 0.000 0.000 3/26880 540.0 0.364 0.561 0.376 0.000 0.000 0.000 3/26880 550.0 0.357 0.551 0.370 0.000 0.000 0.000 3/26880 560.0 0.351 0.541 0.363 0.000 0.000 0.000 3/26880 570.0 0.345 0.532 0.357 0.000 0.000 0.000 3/26880 580.0 0.339 0.523 0.351 0.000 0.000 0.000 3/26880 590.0 0.333 0.514 0.345 0.000 0.000 0.000 3/26880 600.0 0.328 0.506 0.339 0.000 0.000 0.000 3/26880 610.0 0.322 0.497 0.333 0.000 0.000 0.000 3/26880 620.0 0.317 0.489 0.328 0.000 0.000 0.000 3/26880 630.0 0.312 0.482 0.323 0.000 0.000 0.000 3/26880 640.0 0.307 0.474 0.318 0.000 0.000 0.000 3/26880 650.0 0.302 0.467 0.313 0.000 0.000 0.000 3/26880 660.0 0.298 0.460 0.308 0.000 0.000 0.000 3/26880 670.0 0.293 0.453 0.304 0.000 0.000 0.000 3/26880 680.0 0.289 0.447 0.299 0.000 0.000 0.000 3/26880 690.0 0.285 0.440 0.295 0.000 0.000 0.000 3/26880 700.0 0.281 0.434 0.291 0.000 0.000 0.000 3/26880 710.0 0.277 0.428 0.287 0.000 0.000 0.000 3/26880 720.0 0.273 0.422 0.283 0.000 0.000 0.000 3/26880 730.0 0.269 0.416 0.279 0.000 0.000 0.000 3/26880 740.0 0.266 0.411 0.275 0.000 0.000 0.000 3/26880 750.0 0.262 0.405 0.271 0.000 0.000 0.000 3/26880 760.0 0.259 0.400 0.268 0.000 0.000 0.000 3/26880 770.0 0.255 0.395 0.264 0.000 0.000 0.000 3/26880 780.0 0.252 0.390 0.261 0.000 0.000 0.000 3/26880 790.0 0.249 0.385 0.258 0.000 0.000 0.000 3/26880 800.0 0.246 0.380 0.254 0.000 0.000 0.000 3/26880 810.0 0.243 0.376 0.251 0.000 0.000 0.000 3/26880 820.0 0.240 0.371 0.248 0.000 0.000 0.000 3/26880 830.0 0.237 0.367 0.245 0.000 0.000 0.000 3/26880 840.0 0.234 0.362 0.242 0.000 0.000 0.000 3/26880 850.0 0.232 0.358 0.240 0.000 0.000 0.000 3/26880 860.0 0.229 0.354 0.237 0.000 0.000 0.000 3/26880 870.0 0.226 0.350 0.234 0.000 0.000 0.000 3/26880 880.0 0.224 0.346 0.231 0.000 0.000 0.000 3/26880 890.0 0.221 0.342 0.229 0.000 0.000 0.000 3/26880 900.0 0.219 0.338 0.226 0.000 0.000 0.000 3/26880 910.0 0.216 0.334 0.224 0.000 0.000 0.000 3/26880 920.0 0.214 0.331 0.221 0.000 0.000 0.000 3/26880 930.0 0.212 0.327 0.219 0.000 0.000 0.000 3/26880 940.0 0.209 0.324 0.217 0.000 0.000 0.000 3/26880 950.0 0.207 0.320 0.214 0.000 0.000 0.000 3/26880 960.0 0.205 0.317 0.212 0.000 0.000 0.000 3/26880 970.0 0.203 0.314 0.210 0.000 0.000 0.000 3/26880 980.0 0.201 0.311 0.208 0.000 0.000 0.000 3/26880 990.0 0.199 0.308 0.206 0.000 0.000 0.000 3/26880 1000.0 0.197 0.305 0.204 0.000 0.000 0.000 3/26880Thermal conductivity related properties were written into "kappa-m578.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 03:04:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|