----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.950854680000331 0.000000000000000 0.000000000000000 b 0.000000000000000 5.515582479999999 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): *1 F 0.29297663672916 0.56559897335831 0.91414589887181 18.998 2 F 0.70702336327084 0.06559897335831 0.58585410112819 18.998 3 F 0.70702336327084 0.43440102664169 0.08585410112819 18.998 4 F 0.29297663672916 0.93440102664169 0.41414589887181 18.998 *5 F 0.72023643020343 0.55605837248540 0.54048744431873 18.998 6 F 0.27976356979657 0.05605837248539 0.95951255568127 18.998 7 F 0.27976356979657 0.44394162751460 0.45951255568127 18.998 8 F 0.72023643020343 0.94394162751460 0.04048744431873 18.998 *9 F 0.48223720659468 0.23209152921208 0.86080435264554 18.998 10 F 0.51776279340532 0.73209152921208 0.63919564735446 18.998 11 F 0.51776279340532 0.76790847078792 0.13919564735446 18.998 12 F 0.48223720659468 0.26790847078792 0.36080435264554 18.998 *13 F 0.97320911656123 0.24405245362509 0.05016455327235 18.998 14 F 0.02679088343877 0.74405245362509 0.44983544672765 18.998 15 F 0.02679088343877 0.75594754637491 0.94983544672765 18.998 16 F 0.97320911656123 0.25594754637491 0.55016455327235 18.998 *17 F 0.27329563043270 0.03721762610297 0.63158735535769 18.998 18 F 0.72670436956730 0.53721762610297 0.86841264464231 18.998 19 F 0.72670436956730 0.96278237389703 0.36841264464231 18.998 20 F 0.27329563043270 0.46278237389703 0.13158735535769 18.998 *21 F 0.25723272313012 0.94211246780256 0.17376228511573 18.998 22 F 0.74276727686988 0.44211246780256 0.32623771488427 18.998 23 F 0.74276727686988 0.05788753219744 0.82623771488427 18.998 24 F 0.25723272313012 0.55788753219744 0.67376228511573 18.998 *25 F 0.03489069293783 0.59699600847556 0.23122401283060 18.998 26 F 0.96510930706217 0.09699600847556 0.26877598716940 18.998 27 F 0.96510930706217 0.40300399152444 0.76877598716940 18.998 28 F 0.03489069293783 0.90300399152444 0.73122401283060 18.998 *29 Sm 0.18765891617341 0.23939934032065 0.76414150309808 150.360 30 Sm 0.81234108382659 0.73939934032065 0.73585849690192 150.360 31 Sm 0.81234108382659 0.76060065967935 0.23585849690192 150.360 32 Sm 0.18765891617341 0.26060065967935 0.26414150309808 150.360 *33 Pt 0.72756669187423 0.24361553612460 0.95778590495531 195.084 34 Pt 0.27243330812577 0.74361553612460 0.54221409504469 195.084 35 Pt 0.27243330812577 0.75638446387540 0.04221409504469 195.084 36 Pt 0.72756669187423 0.25638446387540 0.45778590495531 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.950854680000331 0.000000000000000 0.000000000000000 b 0.000000000000000 5.515582479999999 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): *1 F 0.29297663672916 0.56559897335831 0.91414589887181 18.998 > 1 2 F 0.70702336327084 0.06559897335831 0.58585410112819 18.998 > 2 3 F 0.70702336327084 0.43440102664169 0.08585410112819 18.998 > 3 4 F 0.29297663672916 0.93440102664169 0.41414589887181 18.998 > 4 *5 F 0.72023643020343 0.55605837248540 0.54048744431873 18.998 > 5 6 F 0.27976356979657 0.05605837248539 0.95951255568127 18.998 > 6 7 F 0.27976356979657 0.44394162751460 0.45951255568127 18.998 > 7 8 F 0.72023643020343 0.94394162751460 0.04048744431873 18.998 > 8 *9 F 0.48223720659468 0.23209152921208 0.86080435264554 18.998 > 9 10 F 0.51776279340532 0.73209152921208 0.63919564735446 18.998 > 10 11 F 0.51776279340532 0.76790847078792 0.13919564735446 18.998 > 11 12 F 0.48223720659468 0.26790847078792 0.36080435264554 18.998 > 12 *13 F 0.97320911656123 0.24405245362509 0.05016455327235 18.998 > 13 14 F 0.02679088343877 0.74405245362509 0.44983544672765 18.998 > 14 15 F 0.02679088343877 0.75594754637491 0.94983544672765 18.998 > 15 16 F 0.97320911656123 0.25594754637491 0.55016455327235 18.998 > 16 *17 F 0.27329563043270 0.03721762610297 0.63158735535769 18.998 > 17 18 F 0.72670436956730 0.53721762610297 0.86841264464231 18.998 > 18 19 F 0.72670436956730 0.96278237389703 0.36841264464231 18.998 > 19 20 F 0.27329563043270 0.46278237389703 0.13158735535769 18.998 > 20 *21 F 0.25723272313012 0.94211246780256 0.17376228511573 18.998 > 21 22 F 0.74276727686988 0.44211246780256 0.32623771488427 18.998 > 22 23 F 0.74276727686988 0.05788753219744 0.82623771488427 18.998 > 23 24 F 0.25723272313012 0.55788753219744 0.67376228511573 18.998 > 24 *25 F 0.03489069293783 0.59699600847556 0.23122401283060 18.998 > 25 26 F 0.96510930706217 0.09699600847556 0.26877598716940 18.998 > 26 27 F 0.96510930706217 0.40300399152444 0.76877598716940 18.998 > 27 28 F 0.03489069293783 0.90300399152444 0.73122401283060 18.998 > 28 *29 Sm 0.18765891617341 0.23939934032065 0.76414150309808 150.360 > 29 30 Sm 0.81234108382659 0.73939934032065 0.73585849690192 150.360 > 30 31 Sm 0.81234108382659 0.76060065967935 0.23585849690192 150.360 > 31 32 Sm 0.18765891617341 0.26060065967935 0.26414150309808 150.360 > 32 *33 Pt 0.72756669187423 0.24361553612460 0.95778590495531 195.084 > 33 34 Pt 0.27243330812577 0.74361553612460 0.54221409504469 195.084 > 34 35 Pt 0.27243330812577 0.75638446387540 0.04221409504469 195.084 > 35 36 Pt 0.72756669187423 0.25638446387540 0.45778590495531 195.084 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.901709360000662 0.000000000000000 0.000000000000000 b 0.000000000000000 11.031164959999998 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): *1 F 0.14648831836458 0.28279948667916 0.91414589887181 18.998 > 1 2 F 0.64648831836458 0.28279948667916 0.91414589887181 18.998 > 1 3 F 0.14648831836458 0.78279948667916 0.91414589887181 18.998 > 1 4 F 0.64648831836458 0.78279948667916 0.91414589887181 18.998 > 1 5 F 0.35351168163542 0.03279948667916 0.58585410112819 18.998 > 2 6 F 0.85351168163542 0.03279948667916 0.58585410112819 18.998 > 2 7 F 0.35351168163542 0.53279948667916 0.58585410112819 18.998 > 2 8 F 0.85351168163542 0.53279948667916 0.58585410112819 18.998 > 2 9 F 0.35351168163542 0.21720051332084 0.08585410112819 18.998 > 3 10 F 0.85351168163542 0.21720051332084 0.08585410112819 18.998 > 3 11 F 0.35351168163542 0.71720051332084 0.08585410112819 18.998 > 3 12 F 0.85351168163542 0.71720051332084 0.08585410112819 18.998 > 3 13 F 0.14648831836458 0.46720051332084 0.41414589887181 18.998 > 4 14 F 0.64648831836458 0.46720051332084 0.41414589887181 18.998 > 4 15 F 0.14648831836458 0.96720051332084 0.41414589887181 18.998 > 4 16 F 0.64648831836458 0.96720051332084 0.41414589887181 18.998 > 4 *17 F 0.36011821510171 0.27802918624270 0.54048744431873 18.998 > 5 18 F 0.86011821510171 0.27802918624270 0.54048744431873 18.998 > 5 19 F 0.36011821510171 0.77802918624270 0.54048744431873 18.998 > 5 20 F 0.86011821510171 0.77802918624270 0.54048744431873 18.998 > 5 21 F 0.13988178489829 0.02802918624270 0.95951255568127 18.998 > 6 22 F 0.63988178489829 0.02802918624270 0.95951255568127 18.998 > 6 23 F 0.13988178489829 0.52802918624270 0.95951255568127 18.998 > 6 24 F 0.63988178489829 0.52802918624270 0.95951255568127 18.998 > 6 25 F 0.13988178489829 0.22197081375730 0.45951255568127 18.998 > 7 26 F 0.63988178489829 0.22197081375730 0.45951255568127 18.998 > 7 27 F 0.13988178489829 0.72197081375730 0.45951255568127 18.998 > 7 28 F 0.63988178489829 0.72197081375730 0.45951255568127 18.998 > 7 29 F 0.36011821510171 0.47197081375730 0.04048744431873 18.998 > 8 30 F 0.86011821510171 0.47197081375730 0.04048744431873 18.998 > 8 31 F 0.36011821510171 0.97197081375730 0.04048744431873 18.998 > 8 32 F 0.86011821510171 0.97197081375730 0.04048744431873 18.998 > 8 *33 F 0.24111860329734 0.11604576460604 0.86080435264554 18.998 > 9 34 F 0.74111860329734 0.11604576460604 0.86080435264554 18.998 > 9 35 F 0.24111860329734 0.61604576460604 0.86080435264554 18.998 > 9 36 F 0.74111860329734 0.61604576460604 0.86080435264554 18.998 > 9 37 F 0.25888139670266 0.36604576460604 0.63919564735446 18.998 > 10 38 F 0.75888139670266 0.36604576460604 0.63919564735446 18.998 > 10 39 F 0.25888139670266 0.86604576460604 0.63919564735446 18.998 > 10 40 F 0.75888139670266 0.86604576460604 0.63919564735446 18.998 > 10 41 F 0.25888139670266 0.38395423539396 0.13919564735446 18.998 > 11 42 F 0.75888139670266 0.38395423539396 0.13919564735446 18.998 > 11 43 F 0.25888139670266 0.88395423539396 0.13919564735446 18.998 > 11 44 F 0.75888139670266 0.88395423539396 0.13919564735446 18.998 > 11 45 F 0.24111860329734 0.13395423539396 0.36080435264554 18.998 > 12 46 F 0.74111860329734 0.13395423539396 0.36080435264554 18.998 > 12 47 F 0.24111860329734 0.63395423539396 0.36080435264554 18.998 > 12 48 F 0.74111860329734 0.63395423539396 0.36080435264554 18.998 > 12 *49 F 0.48660455828061 0.12202622681255 0.05016455327235 18.998 > 13 50 F 0.98660455828061 0.12202622681255 0.05016455327235 18.998 > 13 51 F 0.48660455828061 0.62202622681255 0.05016455327235 18.998 > 13 52 F 0.98660455828061 0.62202622681255 0.05016455327235 18.998 > 13 53 F 0.01339544171939 0.37202622681255 0.44983544672765 18.998 > 14 54 F 0.51339544171939 0.37202622681255 0.44983544672765 18.998 > 14 55 F 0.01339544171939 0.87202622681255 0.44983544672765 18.998 > 14 56 F 0.51339544171939 0.87202622681255 0.44983544672765 18.998 > 14 57 F 0.01339544171939 0.37797377318745 0.94983544672765 18.998 > 15 58 F 0.51339544171939 0.37797377318745 0.94983544672765 18.998 > 15 59 F 0.01339544171939 0.87797377318745 0.94983544672765 18.998 > 15 60 F 0.51339544171939 0.87797377318745 0.94983544672765 18.998 > 15 61 F 0.48660455828061 0.12797377318745 0.55016455327235 18.998 > 16 62 F 0.98660455828061 0.12797377318745 0.55016455327235 18.998 > 16 63 F 0.48660455828061 0.62797377318745 0.55016455327235 18.998 > 16 64 F 0.98660455828061 0.62797377318745 0.55016455327235 18.998 > 16 *65 F 0.13664781521635 0.01860881305148 0.63158735535769 18.998 > 17 66 F 0.63664781521635 0.01860881305148 0.63158735535769 18.998 > 17 67 F 0.13664781521635 0.51860881305148 0.63158735535769 18.998 > 17 68 F 0.63664781521635 0.51860881305148 0.63158735535769 18.998 > 17 69 F 0.36335218478365 0.26860881305148 0.86841264464231 18.998 > 18 70 F 0.86335218478365 0.26860881305148 0.86841264464231 18.998 > 18 71 F 0.36335218478365 0.76860881305148 0.86841264464231 18.998 > 18 72 F 0.86335218478365 0.76860881305148 0.86841264464231 18.998 > 18 73 F 0.36335218478365 0.48139118694852 0.36841264464231 18.998 > 19 74 F 0.86335218478365 0.48139118694852 0.36841264464231 18.998 > 19 75 F 0.36335218478365 0.98139118694852 0.36841264464231 18.998 > 19 76 F 0.86335218478365 0.98139118694852 0.36841264464231 18.998 > 19 77 F 0.13664781521635 0.23139118694852 0.13158735535769 18.998 > 20 78 F 0.63664781521635 0.23139118694852 0.13158735535769 18.998 > 20 79 F 0.13664781521635 0.73139118694852 0.13158735535769 18.998 > 20 80 F 0.63664781521635 0.73139118694852 0.13158735535769 18.998 > 20 *81 F 0.12861636156506 0.47105623390128 0.17376228511573 18.998 > 21 82 F 0.62861636156506 0.47105623390128 0.17376228511573 18.998 > 21 83 F 0.12861636156506 0.97105623390128 0.17376228511573 18.998 > 21 84 F 0.62861636156506 0.97105623390128 0.17376228511573 18.998 > 21 85 F 0.37138363843494 0.22105623390128 0.32623771488427 18.998 > 22 86 F 0.87138363843494 0.22105623390128 0.32623771488427 18.998 > 22 87 F 0.37138363843494 0.72105623390128 0.32623771488427 18.998 > 22 88 F 0.87138363843494 0.72105623390128 0.32623771488427 18.998 > 22 89 F 0.37138363843494 0.02894376609872 0.82623771488427 18.998 > 23 90 F 0.87138363843494 0.02894376609872 0.82623771488427 18.998 > 23 91 F 0.37138363843494 0.52894376609872 0.82623771488427 18.998 > 23 92 F 0.87138363843494 0.52894376609872 0.82623771488427 18.998 > 23 93 F 0.12861636156506 0.27894376609872 0.67376228511573 18.998 > 24 94 F 0.62861636156506 0.27894376609872 0.67376228511573 18.998 > 24 95 F 0.12861636156506 0.77894376609872 0.67376228511573 18.998 > 24 96 F 0.62861636156506 0.77894376609872 0.67376228511573 18.998 > 24 *97 F 0.01744534646892 0.29849800423778 0.23122401283060 18.998 > 25 98 F 0.51744534646892 0.29849800423778 0.23122401283060 18.998 > 25 99 F 0.01744534646892 0.79849800423778 0.23122401283060 18.998 > 25 100 F 0.51744534646892 0.79849800423778 0.23122401283060 18.998 > 25 101 F 0.48255465353108 0.04849800423778 0.26877598716940 18.998 > 26 102 F 0.98255465353108 0.04849800423778 0.26877598716940 18.998 > 26 103 F 0.48255465353108 0.54849800423778 0.26877598716940 18.998 > 26 104 F 0.98255465353108 0.54849800423778 0.26877598716940 18.998 > 26 105 F 0.48255465353108 0.20150199576222 0.76877598716940 18.998 > 27 106 F 0.98255465353108 0.20150199576222 0.76877598716940 18.998 > 27 107 F 0.48255465353108 0.70150199576222 0.76877598716940 18.998 > 27 108 F 0.98255465353108 0.70150199576222 0.76877598716940 18.998 > 27 109 F 0.01744534646892 0.45150199576222 0.73122401283060 18.998 > 28 110 F 0.51744534646892 0.45150199576222 0.73122401283060 18.998 > 28 111 F 0.01744534646892 0.95150199576222 0.73122401283060 18.998 > 28 112 F 0.51744534646892 0.95150199576222 0.73122401283060 18.998 > 28 *113 Sm 0.09382945808671 0.11969967016032 0.76414150309808 150.360 > 29 114 Sm 0.59382945808671 0.11969967016032 0.76414150309808 150.360 > 29 115 Sm 0.09382945808671 0.61969967016033 0.76414150309808 150.360 > 29 116 Sm 0.59382945808671 0.61969967016033 0.76414150309808 150.360 > 29 117 Sm 0.40617054191329 0.36969967016033 0.73585849690192 150.360 > 30 118 Sm 0.90617054191329 0.36969967016033 0.73585849690192 150.360 > 30 119 Sm 0.40617054191329 0.86969967016033 0.73585849690192 150.360 > 30 120 Sm 0.90617054191329 0.86969967016033 0.73585849690192 150.360 > 30 121 Sm 0.40617054191329 0.38030032983967 0.23585849690192 150.360 > 31 122 Sm 0.90617054191329 0.38030032983967 0.23585849690192 150.360 > 31 123 Sm 0.40617054191329 0.88030032983967 0.23585849690192 150.360 > 31 124 Sm 0.90617054191329 0.88030032983967 0.23585849690192 150.360 > 31 125 Sm 0.09382945808671 0.13030032983967 0.26414150309808 150.360 > 32 126 Sm 0.59382945808671 0.13030032983967 0.26414150309808 150.360 > 32 127 Sm 0.09382945808671 0.63030032983967 0.26414150309808 150.360 > 32 128 Sm 0.59382945808671 0.63030032983967 0.26414150309808 150.360 > 32 *129 Pt 0.36378334593711 0.12180776806230 0.95778590495531 195.084 > 33 130 Pt 0.86378334593711 0.12180776806230 0.95778590495531 195.084 > 33 131 Pt 0.36378334593711 0.62180776806230 0.95778590495531 195.084 > 33 132 Pt 0.86378334593711 0.62180776806230 0.95778590495531 195.084 > 33 133 Pt 0.13621665406289 0.37180776806230 0.54221409504469 195.084 > 34 134 Pt 0.63621665406289 0.37180776806230 0.54221409504469 195.084 > 34 135 Pt 0.13621665406289 0.87180776806230 0.54221409504469 195.084 > 34 136 Pt 0.63621665406289 0.87180776806230 0.54221409504469 195.084 > 34 137 Pt 0.13621665406289 0.37819223193770 0.04221409504469 195.084 > 35 138 Pt 0.63621665406289 0.37819223193770 0.04221409504469 195.084 > 35 139 Pt 0.13621665406289 0.87819223193770 0.04221409504469 195.084 > 35 140 Pt 0.63621665406289 0.87819223193770 0.04221409504469 195.084 > 35 141 Pt 0.36378334593711 0.12819223193770 0.45778590495531 195.084 > 36 142 Pt 0.86378334593711 0.12819223193770 0.45778590495531 195.084 > 36 143 Pt 0.36378334593711 0.62819223193770 0.45778590495531 195.084 > 36 144 Pt 0.86378334593711 0.62819223193770 0.45778590495531 195.084 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8404498 0.0000000 0.0072069 0.0000000 2.8108878 0.0000000 0.0072054 0.0000000 2.8387503 -------------------------- Born effective charges -------------------------- 1 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 2 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 3 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 4 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 5 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 6 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 7 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 8 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 9 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 10 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 11 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 12 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 13 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 14 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 15 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 16 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 17 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 18 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 19 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 20 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 21 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 22 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 23 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 24 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 25 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 26 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 27 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 28 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 29 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 30 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 31 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 32 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 33 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 34 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 35 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 36 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.548 Solver_block: 200 / 1120 - Time: 2.483 Solver_block: 300 / 1120 - Time: 2.306 Solver_block: 400 / 1120 - Time: 2.366 Solver_block: 500 / 1120 - Time: 3.082 Solver_block: 600 / 1120 - Time: 3.068 Solver_block: 700 / 1120 - Time: 2.351 Solver_block: 800 / 1120 - Time: 2.672 Solver_block: 900 / 1120 - Time: 2.626 Solver_block: 1000 / 1120 - Time: 2.779 Solver_block: 1100 / 1120 - Time: 2.948 Solver_block: 1120 / 1120 - Time: 0.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.022 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 03:30:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:30:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.950854680000331 0.000000000000000 0.000000000000000 b 0.000000000000000 5.515582479999999 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): 1 F 0.29297663672916 0.56559897335831 0.91414589887181 18.998 2 F 0.70702336327084 0.06559897335831 0.58585410112819 18.998 3 F 0.70702336327084 0.43440102664169 0.08585410112819 18.998 4 F 0.29297663672916 0.93440102664169 0.41414589887181 18.998 5 F 0.72023643020343 0.55605837248540 0.54048744431873 18.998 6 F 0.27976356979657 0.05605837248539 0.95951255568127 18.998 7 F 0.27976356979657 0.44394162751460 0.45951255568127 18.998 8 F 0.72023643020343 0.94394162751460 0.04048744431873 18.998 9 F 0.48223720659468 0.23209152921208 0.86080435264554 18.998 10 F 0.51776279340532 0.73209152921208 0.63919564735446 18.998 11 F 0.51776279340532 0.76790847078792 0.13919564735446 18.998 12 F 0.48223720659468 0.26790847078792 0.36080435264554 18.998 13 F 0.97320911656123 0.24405245362509 0.05016455327235 18.998 14 F 0.02679088343877 0.74405245362509 0.44983544672765 18.998 15 F 0.02679088343877 0.75594754637491 0.94983544672765 18.998 16 F 0.97320911656123 0.25594754637491 0.55016455327235 18.998 17 F 0.27329563043270 0.03721762610297 0.63158735535769 18.998 18 F 0.72670436956730 0.53721762610297 0.86841264464231 18.998 19 F 0.72670436956730 0.96278237389703 0.36841264464231 18.998 20 F 0.27329563043270 0.46278237389703 0.13158735535769 18.998 21 F 0.25723272313012 0.94211246780256 0.17376228511573 18.998 22 F 0.74276727686988 0.44211246780256 0.32623771488427 18.998 23 F 0.74276727686988 0.05788753219744 0.82623771488427 18.998 24 F 0.25723272313012 0.55788753219744 0.67376228511573 18.998 25 F 0.03489069293783 0.59699600847556 0.23122401283060 18.998 26 F 0.96510930706217 0.09699600847556 0.26877598716940 18.998 27 F 0.96510930706217 0.40300399152444 0.76877598716940 18.998 28 F 0.03489069293783 0.90300399152444 0.73122401283060 18.998 29 Sm 0.18765891617341 0.23939934032065 0.76414150309808 150.360 30 Sm 0.81234108382659 0.73939934032065 0.73585849690192 150.360 31 Sm 0.81234108382659 0.76060065967935 0.23585849690192 150.360 32 Sm 0.18765891617341 0.26060065967935 0.26414150309808 150.360 33 Pt 0.72756669187423 0.24361553612460 0.95778590495531 195.084 34 Pt 0.27243330812577 0.74361553612460 0.54221409504469 195.084 35 Pt 0.27243330812577 0.75638446387540 0.04221409504469 195.084 36 Pt 0.72756669187423 0.25638446387540 0.45778590495531 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.901709360000662 0.000000000000000 0.000000000000000 b 0.000000000000000 11.031164959999998 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): 1 F 0.14648831836458 0.28279948667916 0.91414589887181 18.998 > 1 2 F 0.64648831836458 0.28279948667916 0.91414589887181 18.998 > 1 3 F 0.14648831836458 0.78279948667916 0.91414589887181 18.998 > 1 4 F 0.64648831836458 0.78279948667916 0.91414589887181 18.998 > 1 5 F 0.35351168163542 0.03279948667916 0.58585410112819 18.998 > 5 6 F 0.85351168163542 0.03279948667916 0.58585410112819 18.998 > 5 7 F 0.35351168163542 0.53279948667916 0.58585410112819 18.998 > 5 8 F 0.85351168163542 0.53279948667916 0.58585410112819 18.998 > 5 9 F 0.35351168163542 0.21720051332084 0.08585410112819 18.998 > 9 10 F 0.85351168163542 0.21720051332084 0.08585410112819 18.998 > 9 11 F 0.35351168163542 0.71720051332084 0.08585410112819 18.998 > 9 12 F 0.85351168163542 0.71720051332084 0.08585410112819 18.998 > 9 13 F 0.14648831836458 0.46720051332084 0.41414589887181 18.998 > 13 14 F 0.64648831836458 0.46720051332084 0.41414589887181 18.998 > 13 15 F 0.14648831836458 0.96720051332084 0.41414589887181 18.998 > 13 16 F 0.64648831836458 0.96720051332084 0.41414589887181 18.998 > 13 17 F 0.36011821510171 0.27802918624270 0.54048744431873 18.998 > 17 18 F 0.86011821510171 0.27802918624270 0.54048744431873 18.998 > 17 19 F 0.36011821510171 0.77802918624270 0.54048744431873 18.998 > 17 20 F 0.86011821510171 0.77802918624270 0.54048744431873 18.998 > 17 21 F 0.13988178489829 0.02802918624270 0.95951255568127 18.998 > 21 22 F 0.63988178489829 0.02802918624270 0.95951255568127 18.998 > 21 23 F 0.13988178489829 0.52802918624270 0.95951255568127 18.998 > 21 24 F 0.63988178489829 0.52802918624270 0.95951255568127 18.998 > 21 25 F 0.13988178489829 0.22197081375730 0.45951255568127 18.998 > 25 26 F 0.63988178489829 0.22197081375730 0.45951255568127 18.998 > 25 27 F 0.13988178489829 0.72197081375730 0.45951255568127 18.998 > 25 28 F 0.63988178489829 0.72197081375730 0.45951255568127 18.998 > 25 29 F 0.36011821510171 0.47197081375730 0.04048744431873 18.998 > 29 30 F 0.86011821510171 0.47197081375730 0.04048744431873 18.998 > 29 31 F 0.36011821510171 0.97197081375730 0.04048744431873 18.998 > 29 32 F 0.86011821510171 0.97197081375730 0.04048744431873 18.998 > 29 33 F 0.24111860329734 0.11604576460604 0.86080435264554 18.998 > 33 34 F 0.74111860329734 0.11604576460604 0.86080435264554 18.998 > 33 35 F 0.24111860329734 0.61604576460604 0.86080435264554 18.998 > 33 36 F 0.74111860329734 0.61604576460604 0.86080435264554 18.998 > 33 37 F 0.25888139670266 0.36604576460604 0.63919564735446 18.998 > 37 38 F 0.75888139670266 0.36604576460604 0.63919564735446 18.998 > 37 39 F 0.25888139670266 0.86604576460604 0.63919564735446 18.998 > 37 40 F 0.75888139670266 0.86604576460604 0.63919564735446 18.998 > 37 41 F 0.25888139670266 0.38395423539396 0.13919564735446 18.998 > 41 42 F 0.75888139670266 0.38395423539396 0.13919564735446 18.998 > 41 43 F 0.25888139670266 0.88395423539396 0.13919564735446 18.998 > 41 44 F 0.75888139670266 0.88395423539396 0.13919564735446 18.998 > 41 45 F 0.24111860329734 0.13395423539396 0.36080435264554 18.998 > 45 46 F 0.74111860329734 0.13395423539396 0.36080435264554 18.998 > 45 47 F 0.24111860329734 0.63395423539396 0.36080435264554 18.998 > 45 48 F 0.74111860329734 0.63395423539396 0.36080435264554 18.998 > 45 49 F 0.48660455828061 0.12202622681255 0.05016455327235 18.998 > 49 50 F 0.98660455828061 0.12202622681255 0.05016455327235 18.998 > 49 51 F 0.48660455828061 0.62202622681255 0.05016455327235 18.998 > 49 52 F 0.98660455828061 0.62202622681255 0.05016455327235 18.998 > 49 53 F 0.01339544171939 0.37202622681255 0.44983544672765 18.998 > 53 54 F 0.51339544171939 0.37202622681255 0.44983544672765 18.998 > 53 55 F 0.01339544171939 0.87202622681255 0.44983544672765 18.998 > 53 56 F 0.51339544171939 0.87202622681255 0.44983544672765 18.998 > 53 57 F 0.01339544171939 0.37797377318745 0.94983544672765 18.998 > 57 58 F 0.51339544171939 0.37797377318745 0.94983544672765 18.998 > 57 59 F 0.01339544171939 0.87797377318745 0.94983544672765 18.998 > 57 60 F 0.51339544171939 0.87797377318745 0.94983544672765 18.998 > 57 61 F 0.48660455828061 0.12797377318745 0.55016455327235 18.998 > 61 62 F 0.98660455828061 0.12797377318745 0.55016455327235 18.998 > 61 63 F 0.48660455828061 0.62797377318745 0.55016455327235 18.998 > 61 64 F 0.98660455828061 0.62797377318745 0.55016455327235 18.998 > 61 65 F 0.13664781521635 0.01860881305148 0.63158735535769 18.998 > 65 66 F 0.63664781521635 0.01860881305148 0.63158735535769 18.998 > 65 67 F 0.13664781521635 0.51860881305148 0.63158735535769 18.998 > 65 68 F 0.63664781521635 0.51860881305148 0.63158735535769 18.998 > 65 69 F 0.36335218478365 0.26860881305148 0.86841264464231 18.998 > 69 70 F 0.86335218478365 0.26860881305148 0.86841264464231 18.998 > 69 71 F 0.36335218478365 0.76860881305148 0.86841264464231 18.998 > 69 72 F 0.86335218478365 0.76860881305148 0.86841264464231 18.998 > 69 73 F 0.36335218478365 0.48139118694852 0.36841264464231 18.998 > 73 74 F 0.86335218478365 0.48139118694852 0.36841264464231 18.998 > 73 75 F 0.36335218478365 0.98139118694852 0.36841264464231 18.998 > 73 76 F 0.86335218478365 0.98139118694852 0.36841264464231 18.998 > 73 77 F 0.13664781521635 0.23139118694852 0.13158735535769 18.998 > 77 78 F 0.63664781521635 0.23139118694852 0.13158735535769 18.998 > 77 79 F 0.13664781521635 0.73139118694852 0.13158735535769 18.998 > 77 80 F 0.63664781521635 0.73139118694852 0.13158735535769 18.998 > 77 81 F 0.12861636156506 0.47105623390128 0.17376228511573 18.998 > 81 82 F 0.62861636156506 0.47105623390128 0.17376228511573 18.998 > 81 83 F 0.12861636156506 0.97105623390128 0.17376228511573 18.998 > 81 84 F 0.62861636156506 0.97105623390128 0.17376228511573 18.998 > 81 85 F 0.37138363843494 0.22105623390128 0.32623771488427 18.998 > 85 86 F 0.87138363843494 0.22105623390128 0.32623771488427 18.998 > 85 87 F 0.37138363843494 0.72105623390128 0.32623771488427 18.998 > 85 88 F 0.87138363843494 0.72105623390128 0.32623771488427 18.998 > 85 89 F 0.37138363843494 0.02894376609872 0.82623771488427 18.998 > 89 90 F 0.87138363843494 0.02894376609872 0.82623771488427 18.998 > 89 91 F 0.37138363843494 0.52894376609872 0.82623771488427 18.998 > 89 92 F 0.87138363843494 0.52894376609872 0.82623771488427 18.998 > 89 93 F 0.12861636156506 0.27894376609872 0.67376228511573 18.998 > 93 94 F 0.62861636156506 0.27894376609872 0.67376228511573 18.998 > 93 95 F 0.12861636156506 0.77894376609872 0.67376228511573 18.998 > 93 96 F 0.62861636156506 0.77894376609872 0.67376228511573 18.998 > 93 97 F 0.01744534646892 0.29849800423778 0.23122401283060 18.998 > 97 98 F 0.51744534646892 0.29849800423778 0.23122401283060 18.998 > 97 99 F 0.01744534646892 0.79849800423778 0.23122401283060 18.998 > 97 100 F 0.51744534646892 0.79849800423778 0.23122401283060 18.998 > 97 101 F 0.48255465353108 0.04849800423778 0.26877598716940 18.998 > 101 102 F 0.98255465353108 0.04849800423778 0.26877598716940 18.998 > 101 103 F 0.48255465353108 0.54849800423778 0.26877598716940 18.998 > 101 104 F 0.98255465353108 0.54849800423778 0.26877598716940 18.998 > 101 105 F 0.48255465353108 0.20150199576222 0.76877598716940 18.998 > 105 106 F 0.98255465353108 0.20150199576222 0.76877598716940 18.998 > 105 107 F 0.48255465353108 0.70150199576222 0.76877598716940 18.998 > 105 108 F 0.98255465353108 0.70150199576222 0.76877598716940 18.998 > 105 109 F 0.01744534646892 0.45150199576222 0.73122401283060 18.998 > 109 110 F 0.51744534646892 0.45150199576222 0.73122401283060 18.998 > 109 111 F 0.01744534646892 0.95150199576222 0.73122401283060 18.998 > 109 112 F 0.51744534646892 0.95150199576222 0.73122401283060 18.998 > 109 113 Sm 0.09382945808671 0.11969967016032 0.76414150309808 150.360 > 113 114 Sm 0.59382945808671 0.11969967016032 0.76414150309808 150.360 > 113 115 Sm 0.09382945808671 0.61969967016033 0.76414150309808 150.360 > 113 116 Sm 0.59382945808671 0.61969967016033 0.76414150309808 150.360 > 113 117 Sm 0.40617054191329 0.36969967016033 0.73585849690192 150.360 > 117 118 Sm 0.90617054191329 0.36969967016033 0.73585849690192 150.360 > 117 119 Sm 0.40617054191329 0.86969967016033 0.73585849690192 150.360 > 117 120 Sm 0.90617054191329 0.86969967016033 0.73585849690192 150.360 > 117 121 Sm 0.40617054191329 0.38030032983967 0.23585849690192 150.360 > 121 122 Sm 0.90617054191329 0.38030032983967 0.23585849690192 150.360 > 121 123 Sm 0.40617054191329 0.88030032983967 0.23585849690192 150.360 > 121 124 Sm 0.90617054191329 0.88030032983967 0.23585849690192 150.360 > 121 125 Sm 0.09382945808671 0.13030032983967 0.26414150309808 150.360 > 125 126 Sm 0.59382945808671 0.13030032983967 0.26414150309808 150.360 > 125 127 Sm 0.09382945808671 0.63030032983967 0.26414150309808 150.360 > 125 128 Sm 0.59382945808671 0.63030032983967 0.26414150309808 150.360 > 125 129 Pt 0.36378334593711 0.12180776806230 0.95778590495531 195.084 > 129 130 Pt 0.86378334593711 0.12180776806230 0.95778590495531 195.084 > 129 131 Pt 0.36378334593711 0.62180776806230 0.95778590495531 195.084 > 129 132 Pt 0.86378334593711 0.62180776806230 0.95778590495531 195.084 > 129 133 Pt 0.13621665406289 0.37180776806230 0.54221409504469 195.084 > 133 134 Pt 0.63621665406289 0.37180776806230 0.54221409504469 195.084 > 133 135 Pt 0.13621665406289 0.87180776806230 0.54221409504469 195.084 > 133 136 Pt 0.63621665406289 0.87180776806230 0.54221409504469 195.084 > 133 137 Pt 0.13621665406289 0.37819223193770 0.04221409504469 195.084 > 137 138 Pt 0.63621665406289 0.37819223193770 0.04221409504469 195.084 > 137 139 Pt 0.13621665406289 0.87819223193770 0.04221409504469 195.084 > 137 140 Pt 0.63621665406289 0.87819223193770 0.04221409504469 195.084 > 137 141 Pt 0.36378334593711 0.12819223193770 0.45778590495531 195.084 > 141 142 Pt 0.86378334593711 0.12819223193770 0.45778590495531 195.084 > 141 143 Pt 0.36378334593711 0.62819223193770 0.45778590495531 195.084 > 141 144 Pt 0.86378334593711 0.62819223193770 0.45778590495531 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8404498 0.0000000 0.0072069 0.0000000 2.8108878 0.0000000 0.0072054 0.0000000 2.8387503 -------------------------- Born effective charges -------------------------- 1 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 2 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 3 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 4 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 5 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 6 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 7 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 8 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 9 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 10 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 11 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 12 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 13 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 14 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 15 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 16 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 17 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 18 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 19 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 20 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 21 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 22 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 23 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 24 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 25 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 26 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 27 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 28 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 29 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 30 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 31 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 32 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 33 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 34 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 35 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 36 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 97, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 129, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency 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 03:31:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:31:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.950854680000331 0.000000000000000 0.000000000000000 b 0.000000000000000 5.515582479999999 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): 1 F 0.29297663672916 0.56559897335831 0.91414589887181 18.998 2 F 0.70702336327084 0.06559897335831 0.58585410112819 18.998 3 F 0.70702336327084 0.43440102664169 0.08585410112819 18.998 4 F 0.29297663672916 0.93440102664169 0.41414589887181 18.998 5 F 0.72023643020343 0.55605837248540 0.54048744431873 18.998 6 F 0.27976356979657 0.05605837248539 0.95951255568127 18.998 7 F 0.27976356979657 0.44394162751460 0.45951255568127 18.998 8 F 0.72023643020343 0.94394162751460 0.04048744431873 18.998 9 F 0.48223720659468 0.23209152921208 0.86080435264554 18.998 10 F 0.51776279340532 0.73209152921208 0.63919564735446 18.998 11 F 0.51776279340532 0.76790847078792 0.13919564735446 18.998 12 F 0.48223720659468 0.26790847078792 0.36080435264554 18.998 13 F 0.97320911656123 0.24405245362509 0.05016455327235 18.998 14 F 0.02679088343877 0.74405245362509 0.44983544672765 18.998 15 F 0.02679088343877 0.75594754637491 0.94983544672765 18.998 16 F 0.97320911656123 0.25594754637491 0.55016455327235 18.998 17 F 0.27329563043270 0.03721762610297 0.63158735535769 18.998 18 F 0.72670436956730 0.53721762610297 0.86841264464231 18.998 19 F 0.72670436956730 0.96278237389703 0.36841264464231 18.998 20 F 0.27329563043270 0.46278237389703 0.13158735535769 18.998 21 F 0.25723272313012 0.94211246780256 0.17376228511573 18.998 22 F 0.74276727686988 0.44211246780256 0.32623771488427 18.998 23 F 0.74276727686988 0.05788753219744 0.82623771488427 18.998 24 F 0.25723272313012 0.55788753219744 0.67376228511573 18.998 25 F 0.03489069293783 0.59699600847556 0.23122401283060 18.998 26 F 0.96510930706217 0.09699600847556 0.26877598716940 18.998 27 F 0.96510930706217 0.40300399152444 0.76877598716940 18.998 28 F 0.03489069293783 0.90300399152444 0.73122401283060 18.998 29 Sm 0.18765891617341 0.23939934032065 0.76414150309808 150.360 30 Sm 0.81234108382659 0.73939934032065 0.73585849690192 150.360 31 Sm 0.81234108382659 0.76060065967935 0.23585849690192 150.360 32 Sm 0.18765891617341 0.26060065967935 0.26414150309808 150.360 33 Pt 0.72756669187423 0.24361553612460 0.95778590495531 195.084 34 Pt 0.27243330812577 0.74361553612460 0.54221409504469 195.084 35 Pt 0.27243330812577 0.75638446387540 0.04221409504469 195.084 36 Pt 0.72756669187423 0.25638446387540 0.45778590495531 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.901709360000662 0.000000000000000 0.000000000000000 b 0.000000000000000 11.031164959999998 0.000000000000000 c -5.660713841079716 0.000000000000000 10.597667023109095 Atomic positions (fractional): 1 F 0.14648831836458 0.28279948667916 0.91414589887181 18.998 > 1 2 F 0.64648831836458 0.28279948667916 0.91414589887181 18.998 > 1 3 F 0.14648831836458 0.78279948667916 0.91414589887181 18.998 > 1 4 F 0.64648831836458 0.78279948667916 0.91414589887181 18.998 > 1 5 F 0.35351168163542 0.03279948667916 0.58585410112819 18.998 > 5 6 F 0.85351168163542 0.03279948667916 0.58585410112819 18.998 > 5 7 F 0.35351168163542 0.53279948667916 0.58585410112819 18.998 > 5 8 F 0.85351168163542 0.53279948667916 0.58585410112819 18.998 > 5 9 F 0.35351168163542 0.21720051332084 0.08585410112819 18.998 > 9 10 F 0.85351168163542 0.21720051332084 0.08585410112819 18.998 > 9 11 F 0.35351168163542 0.71720051332084 0.08585410112819 18.998 > 9 12 F 0.85351168163542 0.71720051332084 0.08585410112819 18.998 > 9 13 F 0.14648831836458 0.46720051332084 0.41414589887181 18.998 > 13 14 F 0.64648831836458 0.46720051332084 0.41414589887181 18.998 > 13 15 F 0.14648831836458 0.96720051332084 0.41414589887181 18.998 > 13 16 F 0.64648831836458 0.96720051332084 0.41414589887181 18.998 > 13 17 F 0.36011821510171 0.27802918624270 0.54048744431873 18.998 > 17 18 F 0.86011821510171 0.27802918624270 0.54048744431873 18.998 > 17 19 F 0.36011821510171 0.77802918624270 0.54048744431873 18.998 > 17 20 F 0.86011821510171 0.77802918624270 0.54048744431873 18.998 > 17 21 F 0.13988178489829 0.02802918624270 0.95951255568127 18.998 > 21 22 F 0.63988178489829 0.02802918624270 0.95951255568127 18.998 > 21 23 F 0.13988178489829 0.52802918624270 0.95951255568127 18.998 > 21 24 F 0.63988178489829 0.52802918624270 0.95951255568127 18.998 > 21 25 F 0.13988178489829 0.22197081375730 0.45951255568127 18.998 > 25 26 F 0.63988178489829 0.22197081375730 0.45951255568127 18.998 > 25 27 F 0.13988178489829 0.72197081375730 0.45951255568127 18.998 > 25 28 F 0.63988178489829 0.72197081375730 0.45951255568127 18.998 > 25 29 F 0.36011821510171 0.47197081375730 0.04048744431873 18.998 > 29 30 F 0.86011821510171 0.47197081375730 0.04048744431873 18.998 > 29 31 F 0.36011821510171 0.97197081375730 0.04048744431873 18.998 > 29 32 F 0.86011821510171 0.97197081375730 0.04048744431873 18.998 > 29 33 F 0.24111860329734 0.11604576460604 0.86080435264554 18.998 > 33 34 F 0.74111860329734 0.11604576460604 0.86080435264554 18.998 > 33 35 F 0.24111860329734 0.61604576460604 0.86080435264554 18.998 > 33 36 F 0.74111860329734 0.61604576460604 0.86080435264554 18.998 > 33 37 F 0.25888139670266 0.36604576460604 0.63919564735446 18.998 > 37 38 F 0.75888139670266 0.36604576460604 0.63919564735446 18.998 > 37 39 F 0.25888139670266 0.86604576460604 0.63919564735446 18.998 > 37 40 F 0.75888139670266 0.86604576460604 0.63919564735446 18.998 > 37 41 F 0.25888139670266 0.38395423539396 0.13919564735446 18.998 > 41 42 F 0.75888139670266 0.38395423539396 0.13919564735446 18.998 > 41 43 F 0.25888139670266 0.88395423539396 0.13919564735446 18.998 > 41 44 F 0.75888139670266 0.88395423539396 0.13919564735446 18.998 > 41 45 F 0.24111860329734 0.13395423539396 0.36080435264554 18.998 > 45 46 F 0.74111860329734 0.13395423539396 0.36080435264554 18.998 > 45 47 F 0.24111860329734 0.63395423539396 0.36080435264554 18.998 > 45 48 F 0.74111860329734 0.63395423539396 0.36080435264554 18.998 > 45 49 F 0.48660455828061 0.12202622681255 0.05016455327235 18.998 > 49 50 F 0.98660455828061 0.12202622681255 0.05016455327235 18.998 > 49 51 F 0.48660455828061 0.62202622681255 0.05016455327235 18.998 > 49 52 F 0.98660455828061 0.62202622681255 0.05016455327235 18.998 > 49 53 F 0.01339544171939 0.37202622681255 0.44983544672765 18.998 > 53 54 F 0.51339544171939 0.37202622681255 0.44983544672765 18.998 > 53 55 F 0.01339544171939 0.87202622681255 0.44983544672765 18.998 > 53 56 F 0.51339544171939 0.87202622681255 0.44983544672765 18.998 > 53 57 F 0.01339544171939 0.37797377318745 0.94983544672765 18.998 > 57 58 F 0.51339544171939 0.37797377318745 0.94983544672765 18.998 > 57 59 F 0.01339544171939 0.87797377318745 0.94983544672765 18.998 > 57 60 F 0.51339544171939 0.87797377318745 0.94983544672765 18.998 > 57 61 F 0.48660455828061 0.12797377318745 0.55016455327235 18.998 > 61 62 F 0.98660455828061 0.12797377318745 0.55016455327235 18.998 > 61 63 F 0.48660455828061 0.62797377318745 0.55016455327235 18.998 > 61 64 F 0.98660455828061 0.62797377318745 0.55016455327235 18.998 > 61 65 F 0.13664781521635 0.01860881305148 0.63158735535769 18.998 > 65 66 F 0.63664781521635 0.01860881305148 0.63158735535769 18.998 > 65 67 F 0.13664781521635 0.51860881305148 0.63158735535769 18.998 > 65 68 F 0.63664781521635 0.51860881305148 0.63158735535769 18.998 > 65 69 F 0.36335218478365 0.26860881305148 0.86841264464231 18.998 > 69 70 F 0.86335218478365 0.26860881305148 0.86841264464231 18.998 > 69 71 F 0.36335218478365 0.76860881305148 0.86841264464231 18.998 > 69 72 F 0.86335218478365 0.76860881305148 0.86841264464231 18.998 > 69 73 F 0.36335218478365 0.48139118694852 0.36841264464231 18.998 > 73 74 F 0.86335218478365 0.48139118694852 0.36841264464231 18.998 > 73 75 F 0.36335218478365 0.98139118694852 0.36841264464231 18.998 > 73 76 F 0.86335218478365 0.98139118694852 0.36841264464231 18.998 > 73 77 F 0.13664781521635 0.23139118694852 0.13158735535769 18.998 > 77 78 F 0.63664781521635 0.23139118694852 0.13158735535769 18.998 > 77 79 F 0.13664781521635 0.73139118694852 0.13158735535769 18.998 > 77 80 F 0.63664781521635 0.73139118694852 0.13158735535769 18.998 > 77 81 F 0.12861636156506 0.47105623390128 0.17376228511573 18.998 > 81 82 F 0.62861636156506 0.47105623390128 0.17376228511573 18.998 > 81 83 F 0.12861636156506 0.97105623390128 0.17376228511573 18.998 > 81 84 F 0.62861636156506 0.97105623390128 0.17376228511573 18.998 > 81 85 F 0.37138363843494 0.22105623390128 0.32623771488427 18.998 > 85 86 F 0.87138363843494 0.22105623390128 0.32623771488427 18.998 > 85 87 F 0.37138363843494 0.72105623390128 0.32623771488427 18.998 > 85 88 F 0.87138363843494 0.72105623390128 0.32623771488427 18.998 > 85 89 F 0.37138363843494 0.02894376609872 0.82623771488427 18.998 > 89 90 F 0.87138363843494 0.02894376609872 0.82623771488427 18.998 > 89 91 F 0.37138363843494 0.52894376609872 0.82623771488427 18.998 > 89 92 F 0.87138363843494 0.52894376609872 0.82623771488427 18.998 > 89 93 F 0.12861636156506 0.27894376609872 0.67376228511573 18.998 > 93 94 F 0.62861636156506 0.27894376609872 0.67376228511573 18.998 > 93 95 F 0.12861636156506 0.77894376609872 0.67376228511573 18.998 > 93 96 F 0.62861636156506 0.77894376609872 0.67376228511573 18.998 > 93 97 F 0.01744534646892 0.29849800423778 0.23122401283060 18.998 > 97 98 F 0.51744534646892 0.29849800423778 0.23122401283060 18.998 > 97 99 F 0.01744534646892 0.79849800423778 0.23122401283060 18.998 > 97 100 F 0.51744534646892 0.79849800423778 0.23122401283060 18.998 > 97 101 F 0.48255465353108 0.04849800423778 0.26877598716940 18.998 > 101 102 F 0.98255465353108 0.04849800423778 0.26877598716940 18.998 > 101 103 F 0.48255465353108 0.54849800423778 0.26877598716940 18.998 > 101 104 F 0.98255465353108 0.54849800423778 0.26877598716940 18.998 > 101 105 F 0.48255465353108 0.20150199576222 0.76877598716940 18.998 > 105 106 F 0.98255465353108 0.20150199576222 0.76877598716940 18.998 > 105 107 F 0.48255465353108 0.70150199576222 0.76877598716940 18.998 > 105 108 F 0.98255465353108 0.70150199576222 0.76877598716940 18.998 > 105 109 F 0.01744534646892 0.45150199576222 0.73122401283060 18.998 > 109 110 F 0.51744534646892 0.45150199576222 0.73122401283060 18.998 > 109 111 F 0.01744534646892 0.95150199576222 0.73122401283060 18.998 > 109 112 F 0.51744534646892 0.95150199576222 0.73122401283060 18.998 > 109 113 Sm 0.09382945808671 0.11969967016032 0.76414150309808 150.360 > 113 114 Sm 0.59382945808671 0.11969967016032 0.76414150309808 150.360 > 113 115 Sm 0.09382945808671 0.61969967016033 0.76414150309808 150.360 > 113 116 Sm 0.59382945808671 0.61969967016033 0.76414150309808 150.360 > 113 117 Sm 0.40617054191329 0.36969967016033 0.73585849690192 150.360 > 117 118 Sm 0.90617054191329 0.36969967016033 0.73585849690192 150.360 > 117 119 Sm 0.40617054191329 0.86969967016033 0.73585849690192 150.360 > 117 120 Sm 0.90617054191329 0.86969967016033 0.73585849690192 150.360 > 117 121 Sm 0.40617054191329 0.38030032983967 0.23585849690192 150.360 > 121 122 Sm 0.90617054191329 0.38030032983967 0.23585849690192 150.360 > 121 123 Sm 0.40617054191329 0.88030032983967 0.23585849690192 150.360 > 121 124 Sm 0.90617054191329 0.88030032983967 0.23585849690192 150.360 > 121 125 Sm 0.09382945808671 0.13030032983967 0.26414150309808 150.360 > 125 126 Sm 0.59382945808671 0.13030032983967 0.26414150309808 150.360 > 125 127 Sm 0.09382945808671 0.63030032983967 0.26414150309808 150.360 > 125 128 Sm 0.59382945808671 0.63030032983967 0.26414150309808 150.360 > 125 129 Pt 0.36378334593711 0.12180776806230 0.95778590495531 195.084 > 129 130 Pt 0.86378334593711 0.12180776806230 0.95778590495531 195.084 > 129 131 Pt 0.36378334593711 0.62180776806230 0.95778590495531 195.084 > 129 132 Pt 0.86378334593711 0.62180776806230 0.95778590495531 195.084 > 129 133 Pt 0.13621665406289 0.37180776806230 0.54221409504469 195.084 > 133 134 Pt 0.63621665406289 0.37180776806230 0.54221409504469 195.084 > 133 135 Pt 0.13621665406289 0.87180776806230 0.54221409504469 195.084 > 133 136 Pt 0.63621665406289 0.87180776806230 0.54221409504469 195.084 > 133 137 Pt 0.13621665406289 0.37819223193770 0.04221409504469 195.084 > 137 138 Pt 0.63621665406289 0.37819223193770 0.04221409504469 195.084 > 137 139 Pt 0.13621665406289 0.87819223193770 0.04221409504469 195.084 > 137 140 Pt 0.63621665406289 0.87819223193770 0.04221409504469 195.084 > 137 141 Pt 0.36378334593711 0.12819223193770 0.45778590495531 195.084 > 141 142 Pt 0.86378334593711 0.12819223193770 0.45778590495531 195.084 > 141 143 Pt 0.36378334593711 0.62819223193770 0.45778590495531 195.084 > 141 144 Pt 0.86378334593711 0.62819223193770 0.45778590495531 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8404498 0.0000000 0.0072069 0.0000000 2.8108878 0.0000000 0.0072054 0.0000000 2.8387503 -------------------------- Born effective charges -------------------------- 1 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 2 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 3 F -0.5586419 0.3902644 0.4409649 0.2890603 -1.1604323 -0.7923270 0.3261285 -0.8277130 -1.2712504 4 F -0.5586419 -0.3902644 0.4409649 -0.2890603 -1.1604323 0.7923270 0.3261285 0.8277130 -1.2712504 5 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 6 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 7 F -0.4621244 0.3610152 0.3075180 0.3186924 -1.3764408 -0.9433472 0.2217097 -0.8025625 -1.1814572 8 F -0.4621244 -0.3610152 0.3075180 -0.3186924 -1.3764408 0.9433472 0.2217097 0.8025625 -1.1814572 9 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 10 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 11 F -2.0488385 -0.0217184 -0.9055964 -0.0502753 -0.3991177 -0.0371548 -0.9725653 -0.0227774 -0.9552018 12 F -2.0488385 0.0217184 -0.9055964 0.0502753 -0.3991177 0.0371548 -0.9725653 0.0227774 -0.9552018 13 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 14 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 15 F -1.2378222 0.0190205 -0.8588986 -0.0467616 -0.3455298 -0.0437757 -0.7054577 -0.0089935 -1.2280797 16 F -1.2378222 -0.0190205 -0.8588986 0.0467616 -0.3455298 0.0437757 -0.7054577 0.0089935 -1.2280797 17 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 18 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 19 F -0.7602041 0.5247407 0.3973138 0.6349957 -1.3877914 -0.7958228 0.4592678 -0.7223834 -0.9533303 20 F -0.7602041 -0.5247407 0.3973138 -0.6349957 -1.3877914 0.7958228 0.4592678 0.7223834 -0.9533303 21 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 22 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 23 F -0.8704198 0.6432662 0.5587927 0.6342096 -1.2629462 -0.7440729 0.6512976 -0.8416696 -1.1975616 24 F -0.8704198 -0.6432662 0.5587927 -0.6342096 -1.2629462 0.7440729 0.6512976 0.8416696 -1.1975616 25 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 26 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 27 F -1.5710489 0.7306835 -0.0832338 0.7998275 -1.4709085 0.0578545 -0.0360238 0.0228082 -0.7526071 28 F -1.5710489 -0.7306835 -0.0832338 -0.7998275 -1.4709085 -0.0578545 -0.0360238 -0.0228082 -0.7526071 29 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 30 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 31 Sm 4.4396270 0.1978129 0.1541261 -0.0965202 4.3650967 0.0014969 -0.0017935 -0.0138585 4.4731624 32 Sm 4.4396270 -0.1978129 0.1541261 0.0965202 4.3650967 -0.0014969 -0.0017935 0.0138585 4.4731624 33 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 34 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 35 Pt 3.0694727 0.0454560 -0.0109868 -0.0677073 3.0380701 0.1044478 0.0574367 -0.1274434 3.0663258 36 Pt 3.0694727 -0.0454560 -0.0109868 0.0677073 3.0380701 -0.1044478 0.0574367 0.1274434 3.0663258 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] 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: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 1.784 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.674 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.219 ( 0.000 0.000 0.000) 0.000 13.705 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 16.895 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 17.000 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.203 ( 0.000 0.000 0.000) 0.000 17.223 ( 0.000 0.000 0.000) 0.000 17.327 ( 0.000 0.000 0.000) 0.000 17.339 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.844 ( 0.000 0.000 0.000) 0.000 17.991 ( 0.000 0.000 0.000) 0.000 18.036 ( 0.000 0.000 0.000) 0.000 18.036 ( 0.000 0.000 0.000) 0.000 18.069 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 18.694 ( 0.000 0.000 0.000) 0.000 18.762 ( 0.000 0.000 0.000) 0.000 19.015 ( 0.000 0.000 0.000) 0.000 19.132 ( 0.000 0.000 0.000) 0.000 19.310 ( 0.000 0.000 0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 20.379 0.000 0.618) 20.388 0.399 ( 18.909 0.000 3.503) 19.231 0.977 ( 38.872 0.000 21.863) 44.599 1.802 ( -0.243 0.000 -14.695) 14.697 1.832 ( -3.338 0.000 -5.606) 6.524 1.934 ( -8.112 0.000 -3.192) 8.718 2.009 ( 3.363 0.000 1.364) 3.629 2.110 ( -6.796 0.000 0.355) 6.806 2.247 ( 6.374 0.000 -1.759) 6.612 2.283 ( -3.728 0.000 -1.922) 4.195 2.306 ( 0.530 0.000 -0.177) 0.558 2.387 ( -0.203 0.000 0.485) 0.526 2.570 ( -4.095 0.000 -0.133) 4.097 2.602 ( -0.448 0.000 3.428) 3.457 2.795 ( 9.115 0.000 4.767) 10.286 2.913 ( -1.702 0.000 -1.394) 2.200 3.019 ( -0.146 0.000 -4.359) 4.362 3.197 ( -3.301 0.000 5.680) 6.570 3.221 ( -2.297 0.000 -1.654) 2.831 3.236 ( -2.677 0.000 1.929) 3.300 3.316 ( 3.471 0.000 3.166) 4.698 3.364 ( 1.750 0.000 -2.395) 2.966 3.619 ( 2.663 0.000 -4.523) 5.249 3.761 ( -0.225 0.000 -6.106) 6.110 3.825 ( -1.860 0.000 0.377) 1.898 3.952 ( -1.869 0.000 1.164) 2.202 4.005 ( 3.672 0.000 -1.357) 3.915 4.032 ( -1.850 0.000 1.901) 2.652 4.099 ( -4.835 0.000 -2.112) 5.276 4.153 ( 4.137 0.000 2.458) 4.813 4.302 ( -2.919 0.000 -2.921) 4.130 4.325 ( -1.897 0.000 1.406) 2.361 4.366 ( 1.640 0.000 -1.533) 2.245 4.449 ( 0.386 0.000 0.152) 0.415 4.632 ( -1.970 0.000 -0.224) 1.982 4.798 ( 2.723 0.000 -2.091) 3.433 4.811 ( 0.283 0.000 2.144) 2.162 4.819 ( 3.158 0.000 -3.282) 4.554 5.317 ( -1.680 0.000 -7.032) 7.230 5.461 ( -0.515 0.000 -4.970) 4.997 5.689 ( -6.170 0.000 2.492) 6.654 5.751 ( -5.568 0.000 -1.645) 5.806 5.925 ( -1.218 0.000 -1.004) 1.578 5.936 ( 5.458 0.000 0.899) 5.532 6.006 ( -12.042 0.000 14.812) 19.090 6.068 ( 1.373 0.000 5.880) 6.038 6.190 ( -13.113 0.000 12.390) 18.041 6.234 ( 1.663 0.000 -6.389) 6.602 6.246 ( 2.212 0.000 0.561) 2.282 6.325 ( -0.861 0.000 3.472) 3.578 6.556 ( 0.599 0.000 11.458) 11.474 6.676 ( -0.514 0.000 0.960) 1.089 6.777 ( 2.496 0.000 0.268) 2.511 6.784 ( 4.917 0.000 2.260) 5.411 6.841 ( 0.142 0.000 1.275) 1.283 6.994 ( 0.514 0.000 1.037) 1.157 7.194 ( 1.641 0.000 -1.929) 2.533 7.199 ( -1.797 0.000 1.064) 2.089 7.260 ( -0.503 0.000 -1.627) 1.703 7.362 ( -0.522 0.000 1.607) 1.690 7.382 ( -1.195 0.000 0.941) 1.521 7.430 ( -0.765 0.000 -0.042) 0.766 7.518 ( 0.085 0.000 -0.747) 0.752 7.657 ( 1.310 0.000 1.382) 1.904 7.779 ( -0.534 0.000 0.238) 0.584 7.864 ( 2.023 0.000 -0.211) 2.034 7.876 ( 0.701 0.000 -2.884) 2.968 7.946 ( 0.601 0.000 -5.186) 5.221 7.986 ( -1.995 0.000 1.126) 2.291 8.083 ( -2.343 0.000 -0.278) 2.359 8.148 ( 0.975 0.000 1.229) 1.569 8.156 ( -0.335 0.000 0.893) 0.954 8.336 ( -1.988 0.000 -4.282) 4.720 8.438 ( -1.149 0.000 -1.041) 1.551 8.527 ( -0.236 0.000 -2.413) 2.425 8.569 ( -0.752 0.000 3.958) 4.029 8.616 ( 2.066 0.000 2.372) 3.145 8.617 ( -0.171 0.000 -4.344) 4.347 8.872 ( -1.546 0.000 2.280) 2.754 8.908 ( 2.723 0.000 2.987) 4.042 12.209 ( 0.128 0.000 -0.118) 0.174 12.223 ( 0.357 0.000 0.080) 0.366 13.737 ( 2.882 0.000 0.471) 2.920 14.569 ( 1.534 0.000 -19.606) 19.666 16.954 ( 4.232 0.000 3.019) 5.198 17.005 ( 0.993 0.000 -1.590) 1.875 17.013 ( 0.563 0.000 -0.481) 0.741 17.031 ( 4.396 0.000 2.074) 4.860 17.214 ( 1.442 0.000 -3.580) 3.860 17.248 ( 2.627 0.000 -3.068) 4.039 17.317 ( -0.805 0.000 0.162) 0.822 17.358 ( 2.637 0.000 -1.597) 3.083 17.587 ( 2.450 0.000 6.172) 6.640 17.841 ( -0.416 0.000 0.092) 0.426 17.934 ( -5.086 0.000 -0.301) 5.095 18.004 ( -2.589 0.000 -1.063) 2.798 18.051 ( 0.536 0.000 0.020) 0.537 18.074 ( 0.437 0.000 0.882) 0.985 18.102 ( -1.139 0.000 0.611) 1.292 18.176 ( -0.294 0.000 -0.159) 0.334 18.651 ( 2.138 0.000 0.684) 2.245 18.767 ( 0.848 0.000 -0.641) 1.063 18.982 ( -3.451 0.000 0.147) 3.454 19.017 ( -5.669 0.000 10.705) 12.114 19.299 ( -0.264 0.000 -1.011) 1.045 19.597 ( -3.055 0.000 -5.242) 6.068 19.681 ( -0.311 0.000 -0.677) 0.745 19.808 ( -3.070 0.000 -0.487) 3.109 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 14.762 0.000 2.952) 15.054 0.766 ( 18.820 0.000 3.536) 19.149 1.494 ( -4.670 0.000 -19.067) 19.630 1.580 ( -6.214 0.000 -3.028) 6.912 1.769 ( -7.456 0.000 -2.672) 7.920 1.916 ( -9.465 0.000 -3.760) 10.185 1.961 ( 25.895 0.000 15.342) 30.098 2.022 ( 3.117 0.000 -1.965) 3.684 2.302 ( 2.361 0.000 -3.276) 4.039 2.387 ( 2.099 0.000 -1.185) 2.410 2.402 ( 4.368 0.000 5.784) 7.248 2.407 ( 6.049 0.000 4.593) 7.595 2.523 ( 2.210 0.000 3.612) 4.235 2.649 ( 0.662 0.000 3.779) 3.836 2.815 ( -6.927 0.000 0.217) 6.930 2.928 ( 0.717 0.000 -1.172) 1.374 2.962 ( -1.252 0.000 -4.144) 4.329 3.133 ( -8.462 0.000 -4.442) 9.558 3.177 ( -4.160 0.000 8.411) 9.383 3.224 ( 3.640 0.000 -0.187) 3.645 3.333 ( -1.626 0.000 -3.157) 3.551 3.448 ( 4.115 0.000 6.491) 7.686 3.610 ( -6.149 0.000 -8.646) 10.610 3.647 ( 4.365 0.000 -4.695) 6.410 3.837 ( -6.161 0.000 -6.377) 8.867 3.852 ( 2.508 0.000 0.161) 2.513 3.973 ( -2.968 0.000 0.296) 2.983 4.011 ( 0.417 0.000 0.072) 0.424 4.104 ( 1.333 0.000 3.803) 4.030 4.234 ( -1.844 0.000 -2.745) 3.307 4.245 ( -4.984 0.000 -0.642) 5.025 4.283 ( 3.522 0.000 3.033) 4.648 4.404 ( 2.406 0.000 0.583) 2.476 4.483 ( 3.750 0.000 0.418) 3.773 4.619 ( -0.440 0.000 1.036) 1.125 4.723 ( -4.529 0.000 -3.191) 5.540 4.854 ( 2.060 0.000 2.348) 3.124 4.915 ( 1.169 0.000 7.117) 7.212 5.219 ( -0.838 0.000 -6.666) 6.718 5.388 ( -1.200 0.000 -5.518) 5.647 5.604 ( -6.659 0.000 -2.475) 7.104 5.609 ( -3.491 0.000 -0.049) 3.492 5.902 ( -1.775 0.000 1.676) 2.442 5.940 ( -6.786 0.000 8.377) 10.781 5.993 ( 1.947 0.000 -3.107) 3.667 6.046 ( -6.090 0.000 0.253) 6.096 6.143 ( 1.264 0.000 3.766) 3.972 6.215 ( 1.156 0.000 -3.059) 3.271 6.307 ( -1.652 0.000 -1.024) 1.944 6.374 ( 4.440 0.000 5.453) 7.032 6.662 ( 3.330 0.000 3.115) 4.560 6.747 ( 4.535 0.000 4.020) 6.061 6.820 ( 1.842 0.000 0.127) 1.847 6.840 ( -0.405 0.000 -1.038) 1.114 6.910 ( 4.212 0.000 3.397) 5.411 7.013 ( 1.078 0.000 -0.325) 1.126 7.138 ( -4.693 0.000 -0.489) 4.719 7.201 ( 1.107 0.000 -2.482) 2.718 7.232 ( -1.453 0.000 -0.017) 1.453 7.350 ( -3.026 0.000 0.791) 3.127 7.362 ( -1.244 0.000 1.692) 2.100 7.412 ( -0.449 0.000 -0.669) 0.806 7.516 ( 0.208 0.000 -0.876) 0.900 7.689 ( 0.740 0.000 0.715) 1.029 7.782 ( -0.040 0.000 1.411) 1.412 7.865 ( 1.319 0.000 -2.993) 3.271 7.909 ( -0.357 0.000 -1.643) 1.681 7.914 ( 3.626 0.000 -0.833) 3.720 7.951 ( -2.503 0.000 0.759) 2.615 8.044 ( -1.737 0.000 0.707) 1.875 8.123 ( -3.565 0.000 0.060) 3.566 8.188 ( 1.302 0.000 2.001) 2.388 8.286 ( 0.413 0.000 -2.428) 2.463 8.405 ( -1.261 0.000 -0.907) 1.554 8.492 ( -0.562 0.000 -2.525) 2.586 8.524 ( -1.886 0.000 -1.506) 2.414 8.645 ( 1.435 0.000 1.153) 1.841 8.678 ( 1.955 0.000 1.588) 2.519 8.865 ( -0.964 0.000 1.164) 1.511 8.972 ( 1.379 0.000 1.709) 2.196 12.210 ( 0.142 0.000 -0.102) 0.175 12.231 ( 0.369 0.000 0.084) 0.378 13.803 ( 3.022 0.000 0.488) 3.061 14.397 ( -3.141 0.000 -8.798) 9.342 17.006 ( 0.532 0.000 -0.846) 0.999 17.020 ( 0.182 0.000 0.287) 0.340 17.084 ( 5.068 0.000 3.898) 6.394 17.148 ( 4.121 0.000 2.884) 5.030 17.208 ( 0.774 0.000 -1.764) 1.926 17.263 ( 1.508 0.000 -1.690) 2.265 17.304 ( -0.409 0.000 -0.473) 0.626 17.411 ( 4.872 0.000 -1.515) 5.103 17.698 ( 2.095 0.000 5.781) 6.149 17.823 ( -6.142 0.000 0.460) 6.159 17.829 ( -0.713 0.000 -0.509) 0.876 17.918 ( -4.318 0.000 -2.142) 4.820 18.057 ( 0.273 0.000 -0.150) 0.311 18.092 ( -0.662 0.000 0.654) 0.931 18.098 ( 1.216 0.000 0.798) 1.455 18.163 ( -0.731 0.000 -0.417) 0.842 18.717 ( 4.108 0.000 0.383) 4.126 18.781 ( 1.578 0.000 -0.851) 1.792 18.903 ( -4.539 0.000 -0.255) 4.546 18.988 ( -5.517 0.000 3.973) 6.798 19.302 ( 1.134 0.000 0.207) 1.152 19.476 ( -3.199 0.000 -4.964) 5.906 19.664 ( -1.085 0.000 0.110) 1.090 19.739 ( -2.987 0.000 -0.658) 3.058 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 0.000 0.000) 0.000 1.046 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 2.069 ( -0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.792 ( -0.000 0.000 -0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 -0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.937 ( -0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.595 ( -0.000 0.000 -0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 -0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 -0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.725 ( -0.000 0.000 -0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 -0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.219 ( -0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.863 ( -0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.053 ( -0.000 0.000 -0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 -0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 14.319 ( 0.000 0.000 0.000) 0.000 17.007 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 17.167 ( 0.000 0.000 0.000) 0.000 17.200 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 17.269 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 -0.000) 0.000 17.756 ( 0.000 0.000 0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 18.059 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.123 ( -0.000 0.000 -0.000) 0.000 18.147 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 0.000 0.000) 0.000 18.807 ( 0.000 0.000 0.000) 0.000 18.837 ( -0.000 0.000 0.000) 0.000 18.934 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 19.652 ( 0.000 0.000 0.000) 0.000 19.705 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 19.114 0.000) 19.114 0.656 ( 0.000 32.159 0.000) 32.159 0.679 ( 0.000 32.953 0.000) 32.953 1.729 ( 0.000 -4.977 0.000) 4.977 1.968 ( 0.000 2.602 0.000) 2.602 2.013 ( 0.000 -2.890 0.000) 2.890 2.058 ( 0.000 0.757 0.000) 0.757 2.124 ( 0.000 4.545 0.000) 4.545 2.236 ( 0.000 4.219 0.000) 4.219 2.284 ( 0.000 -4.484 0.000) 4.484 2.458 ( 0.000 11.962 0.000) 11.962 2.577 ( 0.000 0.493 0.000) 0.493 2.621 ( 0.000 2.724 0.000) 2.724 2.625 ( 0.000 2.257 0.000) 2.257 2.663 ( 0.000 9.825 0.000) 9.825 2.919 ( 0.000 -0.219 0.000) 0.219 2.975 ( 0.000 -5.157 0.000) 5.157 3.135 ( 0.000 0.739 0.000) 0.739 3.167 ( 0.000 -5.207 0.000) 5.207 3.258 ( 0.000 -5.779 0.000) 5.779 3.285 ( 0.000 4.482 0.000) 4.482 3.346 ( 0.000 3.438 0.000) 3.438 3.635 ( 0.000 3.847 0.000) 3.847 3.778 ( 0.000 -4.134 0.000) 4.134 3.865 ( 0.000 -4.780 0.000) 4.780 3.897 ( 0.000 -2.610 0.000) 2.610 3.942 ( 0.000 -0.750 0.000) 0.750 4.154 ( 0.000 1.452 0.000) 1.452 4.214 ( 0.000 1.814 0.000) 1.814 4.229 ( 0.000 -9.871 0.000) 9.871 4.249 ( 0.000 2.691 0.000) 2.691 4.316 ( 0.000 -2.977 0.000) 2.977 4.369 ( 0.000 -5.765 0.000) 5.765 4.517 ( 0.000 -2.459 0.000) 2.459 4.699 ( 0.000 2.200 0.000) 2.200 4.743 ( 0.000 3.341 0.000) 3.341 4.768 ( 0.000 2.859 0.000) 2.859 5.003 ( 0.000 -1.233 0.000) 1.233 5.351 ( 0.000 -0.466 0.000) 0.466 5.444 ( 0.000 -3.792 0.000) 3.792 5.499 ( 0.000 0.253 0.000) 0.253 5.763 ( 0.000 -2.311 0.000) 2.311 5.792 ( 0.000 -2.331 0.000) 2.331 5.906 ( 0.000 -4.800 0.000) 4.800 5.964 ( 0.000 -6.313 0.000) 6.313 5.981 ( 0.000 -5.258 0.000) 5.258 6.032 ( 0.000 1.222 0.000) 1.222 6.283 ( 0.000 -1.523 0.000) 1.523 6.358 ( 0.000 1.532 0.000) 1.532 6.359 ( 0.000 5.149 0.000) 5.149 6.450 ( 0.000 5.250 0.000) 5.250 6.666 ( 0.000 -4.690 0.000) 4.690 6.737 ( 0.000 2.018 0.000) 2.018 6.752 ( 0.000 -2.862 0.000) 2.862 6.968 ( 0.000 -1.797 0.000) 1.797 6.985 ( 0.000 4.544 0.000) 4.544 7.128 ( 0.000 -3.724 0.000) 3.724 7.230 ( 0.000 -0.303 0.000) 0.303 7.265 ( 0.000 0.826 0.000) 0.826 7.304 ( 0.000 -5.538 0.000) 5.538 7.416 ( 0.000 -0.614 0.000) 0.614 7.436 ( 0.000 4.842 0.000) 4.842 7.551 ( 0.000 1.582 0.000) 1.582 7.680 ( 0.000 4.006 0.000) 4.006 7.754 ( 0.000 -2.847 0.000) 2.847 7.820 ( 0.000 -2.376 0.000) 2.376 7.866 ( 0.000 -1.965 0.000) 1.965 7.925 ( 0.000 0.451 0.000) 0.451 8.007 ( 0.000 0.384 0.000) 0.384 8.104 ( 0.000 3.635 0.000) 3.635 8.130 ( 0.000 0.920 0.000) 0.920 8.164 ( 0.000 -1.638 0.000) 1.638 8.389 ( 0.000 -0.552 0.000) 0.552 8.435 ( 0.000 -1.914 0.000) 1.914 8.508 ( 0.000 -3.209 0.000) 3.209 8.537 ( 0.000 0.732 0.000) 0.732 8.622 ( 0.000 3.875 0.000) 3.875 8.719 ( 0.000 2.143 0.000) 2.143 8.832 ( 0.000 -1.035 0.000) 1.035 8.880 ( 0.000 0.968 0.000) 0.968 12.297 ( 0.000 7.515 0.000) 7.515 12.892 ( 0.000 0.782 0.000) 0.782 13.682 ( 0.000 -2.309 0.000) 2.309 14.070 ( 0.000 -6.737 0.000) 6.737 16.985 ( 0.000 1.244 0.000) 1.244 17.009 ( 0.000 0.575 0.000) 0.575 17.032 ( 0.000 2.044 0.000) 2.044 17.058 ( 0.000 0.783 0.000) 0.783 17.220 ( 0.000 2.014 0.000) 2.014 17.243 ( 0.000 1.961 0.000) 1.961 17.322 ( 0.000 -0.666 0.000) 0.666 17.402 ( 0.000 3.259 0.000) 3.259 17.512 ( 0.000 -1.265 0.000) 1.265 17.821 ( 0.000 -2.583 0.000) 2.583 17.957 ( 0.000 -0.313 0.000) 0.313 17.966 ( 0.000 -3.211 0.000) 3.211 18.036 ( 0.000 -0.035 0.000) 0.035 18.046 ( 0.000 -1.307 0.000) 1.307 18.084 ( 0.000 -1.150 0.000) 1.150 18.150 ( 0.000 -1.902 0.000) 1.902 18.709 ( 0.000 1.432 0.000) 1.432 18.737 ( 0.000 0.663 0.000) 0.663 18.977 ( 0.000 -3.054 0.000) 3.054 19.168 ( 0.000 2.825 0.000) 2.825 19.249 ( 0.000 -4.726 0.000) 4.726 19.436 ( 0.000 1.715 0.000) 1.715 19.601 ( 0.000 -5.332 0.000) 5.332 19.809 ( 0.000 -3.937 0.000) 3.937 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 7.183 20.404 9.966) 23.817 0.768 ( 13.627 25.471 -1.027) 28.905 1.105 ( 32.162 14.028 16.055) 38.587 1.739 ( 3.668 -5.895 -8.326) 10.841 1.870 ( -6.643 2.737 -11.309) 13.399 1.966 ( -5.930 1.112 -2.397) 6.492 2.017 ( -0.254 2.535 1.255) 2.840 2.101 ( -3.028 0.360 -0.000) 3.049 2.201 ( -2.839 -0.763 -1.994) 3.552 2.300 ( 5.981 3.574 -0.146) 6.969 2.468 ( -1.462 11.311 -2.179) 11.612 2.492 ( -4.395 5.433 -0.501) 7.006 2.561 ( -0.646 -2.379 2.756) 3.698 2.633 ( -0.814 5.196 1.553) 5.484 2.747 ( 1.943 -3.897 0.481) 4.381 2.914 ( -1.976 -0.244 1.853) 2.719 3.010 ( 3.004 0.362 1.254) 3.275 3.133 ( -2.335 -6.575 -0.661) 7.008 3.146 ( 0.311 -3.109 -0.640) 3.190 3.290 ( -3.529 5.065 3.462) 7.078 3.315 ( 4.572 -0.694 2.991) 5.507 3.374 ( 2.895 0.621 -1.187) 3.190 3.606 ( -1.055 2.469 -1.376) 3.017 3.747 ( -0.999 -2.309 -5.529) 6.074 3.841 ( -0.558 -5.858 -1.749) 6.139 3.921 ( 0.556 -1.703 -0.051) 1.792 3.970 ( 0.106 -0.492 -0.713) 0.873 4.104 ( -6.486 2.884 -0.210) 7.102 4.133 ( -3.988 2.075 -2.423) 5.107 4.172 ( 0.161 -2.045 -0.304) 2.074 4.254 ( -1.176 -3.220 -0.120) 3.430 4.291 ( -1.054 -1.275 -0.169) 1.663 4.391 ( 1.698 -2.082 0.655) 2.765 4.413 ( 0.929 0.173 -1.792) 2.026 4.663 ( -2.393 2.664 -0.245) 3.590 4.781 ( 0.949 -1.551 -3.127) 3.617 4.813 ( 1.203 1.741 3.065) 3.725 4.900 ( -0.397 5.078 -0.078) 5.094 5.321 ( -0.722 0.382 -4.555) 4.628 5.460 ( -0.278 -0.824 -3.834) 3.932 5.578 ( -3.178 -6.380 1.630) 7.312 5.780 ( -3.627 -0.589 1.885) 4.130 5.783 ( -1.021 -6.435 9.723) 11.704 5.919 ( -1.084 -6.143 2.679) 6.789 5.982 ( 0.403 -3.992 -0.768) 4.085 6.040 ( -1.217 -0.900 3.483) 3.798 6.098 ( 2.747 -4.338 6.714) 8.452 6.212 ( -1.723 -2.236 0.374) 2.847 6.275 ( 0.139 3.163 -6.805) 7.506 6.361 ( -1.902 2.356 0.892) 3.157 6.562 ( 3.145 1.326 2.507) 4.235 6.671 ( -1.423 -3.241 6.128) 7.077 6.758 ( 3.599 -0.520 -0.377) 3.656 6.793 ( 2.130 -0.301 2.404) 3.226 6.912 ( -4.085 3.343 1.682) 5.540 7.006 ( 2.224 1.770 -0.961) 3.000 7.096 ( -0.064 -4.018 -1.809) 4.407 7.226 ( -1.526 -0.930 0.604) 1.887 7.280 ( 0.500 -0.154 -0.612) 0.805 7.308 ( -0.916 -2.315 1.266) 2.793 7.407 ( -1.018 0.613 2.280) 2.571 7.452 ( 1.583 3.462 -2.340) 4.469 7.552 ( 0.467 2.900 -0.288) 2.951 7.693 ( 0.735 3.069 0.504) 3.196 7.759 ( 0.211 -2.094 0.799) 2.252 7.824 ( 1.049 -2.574 -1.165) 3.014 7.869 ( 1.406 -1.385 -1.066) 2.243 7.936 ( 0.085 -1.115 -2.816) 3.030 7.995 ( -1.193 0.118 1.128) 1.646 8.089 ( -2.277 2.114 0.133) 3.110 8.130 ( 0.280 0.378 0.470) 0.665 8.174 ( 0.072 -0.578 1.343) 1.464 8.344 ( -1.134 0.887 -3.969) 4.222 8.424 ( -1.007 -1.189 -0.096) 1.561 8.491 ( -0.481 -2.655 -1.749) 3.216 8.579 ( 1.344 -0.189 3.219) 3.494 8.645 ( 1.562 2.989 0.326) 3.388 8.650 ( -2.405 2.475 -3.509) 4.922 8.857 ( -0.153 -0.903 1.578) 1.825 8.914 ( 1.973 0.404 2.501) 3.211 12.303 ( 0.340 7.707 0.340) 7.722 12.511 ( -13.605 17.861 -5.041) 23.011 13.716 ( 2.839 -2.210 0.530) 3.637 14.290 ( 8.190 -18.965 -7.089) 21.840 16.985 ( -0.199 1.694 0.895) 1.926 17.008 ( 0.937 0.556 -1.999) 2.276 17.021 ( 0.091 1.149 0.876) 1.448 17.057 ( 2.582 1.497 0.962) 3.136 17.213 ( 0.561 0.319 -3.102) 3.168 17.231 ( 1.842 -0.284 -2.355) 3.003 17.323 ( -0.772 0.477 1.638) 1.872 17.377 ( 1.779 2.210 -1.182) 3.073 17.608 ( 3.068 1.048 5.217) 6.143 17.808 ( -1.365 -3.366 -0.301) 3.645 17.933 ( -3.349 -1.251 -0.223) 3.582 17.977 ( -1.341 -2.396 -0.159) 2.750 18.026 ( -0.858 -0.682 1.168) 1.602 18.053 ( 0.648 -1.906 0.477) 2.069 18.081 ( -0.246 -1.218 -0.050) 1.244 18.145 ( -0.617 -2.101 0.226) 2.201 18.704 ( 1.573 3.327 -0.165) 3.683 18.762 ( 1.196 -0.218 0.044) 1.216 18.947 ( -2.666 -2.369 0.141) 3.569 19.083 ( -6.419 3.150 5.465) 9.000 19.288 ( 1.628 -0.758 -0.775) 1.956 19.544 ( -0.912 -5.010 -4.083) 6.527 19.578 ( 2.827 -5.413 0.793) 6.158 19.785 ( -2.213 -3.011 -0.128) 3.739 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 9.221 15.994 10.425) 21.202 1.038 ( 15.857 20.388 -2.663) 25.965 1.534 ( -3.985 3.502 -17.916) 18.685 1.672 ( -3.023 8.081 -2.691) 9.037 1.783 ( -1.179 1.159 -2.057) 2.639 1.869 ( 1.614 -5.668 1.011) 5.980 1.929 ( -4.597 0.309 -3.154) 5.583 2.047 ( 11.576 3.335 7.227) 14.048 2.310 ( 3.007 -4.137 5.068) 7.200 2.337 ( 0.429 -0.905 2.296) 2.505 2.427 ( 5.511 5.703 -2.383) 8.281 2.502 ( 0.117 6.263 2.665) 6.808 2.614 ( 0.270 -3.101 4.772) 5.698 2.656 ( 2.896 8.670 0.200) 9.143 2.724 ( -2.956 -5.720 2.885) 7.056 2.909 ( -0.005 -0.852 0.973) 1.293 3.032 ( -4.532 -1.182 -1.086) 4.808 3.071 ( -2.189 1.709 -5.604) 6.254 3.174 ( 4.574 -3.870 0.733) 6.036 3.232 ( -4.562 3.834 3.890) 7.117 3.367 ( -3.803 1.793 -0.773) 4.274 3.421 ( 2.266 -2.308 0.492) 3.272 3.602 ( 2.525 -0.872 -1.783) 3.212 3.628 ( -2.862 1.152 -6.188) 6.915 3.824 ( -6.833 -2.613 -3.625) 8.165 3.840 ( 3.139 -4.785 -3.671) 6.799 3.937 ( -0.792 1.460 -1.967) 2.575 3.999 ( -4.284 0.253 2.451) 4.942 4.161 ( 0.852 0.413 3.640) 3.761 4.187 ( 0.783 -4.786 -0.023) 4.849 4.227 ( -1.950 -2.971 1.642) 3.915 4.251 ( -1.444 1.207 -1.644) 2.499 4.427 ( 2.303 1.152 -1.020) 2.770 4.466 ( 4.531 -1.863 0.452) 4.920 4.642 ( -0.759 1.869 1.335) 2.419 4.707 ( -4.417 -1.178 -2.513) 5.217 4.850 ( 0.196 -0.245 2.134) 2.157 4.969 ( 2.636 4.558 5.147) 7.363 5.268 ( -0.394 4.234 -3.548) 5.538 5.413 ( -0.134 1.808 -4.445) 4.801 5.512 ( -1.754 -4.637 -0.781) 5.019 5.680 ( -6.371 2.343 -2.209) 7.139 5.835 ( -1.242 -4.545 5.384) 7.154 5.904 ( -4.025 -4.784 3.850) 7.343 5.966 ( 0.683 -2.667 -3.729) 4.635 5.984 ( -3.048 -4.663 -0.964) 5.654 6.152 ( -0.718 -0.474 5.546) 5.612 6.216 ( -0.479 -0.024 -3.801) 3.831 6.291 ( -0.958 -1.419 -0.481) 1.778 6.366 ( 4.680 -0.804 5.214) 7.052 6.625 ( 2.700 -2.789 1.236) 4.074 6.742 ( 1.897 -1.134 5.009) 5.475 6.819 ( 3.268 -0.713 -1.991) 3.892 6.854 ( 0.998 -4.513 1.982) 5.029 6.858 ( -2.261 1.202 -0.869) 2.704 7.050 ( 2.766 2.392 0.130) 3.659 7.071 ( -1.648 -2.972 -0.678) 3.466 7.211 ( 1.560 0.195 -2.820) 3.229 7.268 ( -2.209 2.002 2.111) 3.653 7.290 ( -2.328 -1.917 1.737) 3.480 7.411 ( -1.429 1.240 2.775) 3.359 7.440 ( 0.576 3.541 -3.771) 5.205 7.554 ( 0.158 3.310 -0.865) 3.425 7.706 ( 0.340 1.604 0.123) 1.644 7.781 ( 0.342 -0.130 2.212) 2.242 7.840 ( 2.396 -2.989 -1.965) 4.305 7.880 ( 0.155 -0.234 -1.825) 1.846 7.903 ( -0.547 -2.552 -0.341) 2.632 7.986 ( 0.041 2.296 0.058) 2.297 8.047 ( -2.057 0.917 0.730) 2.367 8.113 ( -2.512 -0.712 0.045) 2.611 8.198 ( 0.786 0.632 1.599) 1.891 8.305 ( 0.484 1.719 -2.045) 2.715 8.397 ( -1.463 -0.507 -0.712) 1.705 8.468 ( 0.070 -1.482 -1.385) 2.030 8.575 ( -1.865 3.587 -1.901) 4.468 8.631 ( 1.206 -1.313 1.185) 2.141 8.687 ( 1.655 0.941 0.631) 2.005 8.860 ( -0.681 -0.403 1.131) 1.381 8.969 ( 1.285 -0.312 1.485) 1.989 12.306 ( -0.499 8.007 -0.254) 8.026 12.359 ( -2.199 11.963 -0.616) 12.179 13.780 ( 2.857 -2.359 0.548) 3.745 14.252 ( -1.241 -12.830 -6.188) 14.299 17.007 ( 0.406 -0.085 -0.700) 0.814 17.020 ( 0.760 -0.403 0.473) 0.982 17.054 ( 2.954 -1.897 1.872) 3.978 17.133 ( 2.716 -1.068 1.087) 3.114 17.213 ( 1.414 0.171 0.105) 1.428 17.245 ( 0.651 -0.614 0.468) 1.009 17.320 ( -0.461 1.140 -0.257) 1.257 17.422 ( 4.264 1.099 -1.696) 4.718 17.692 ( 0.409 -1.362 2.753) 3.098 17.771 ( -1.908 -3.625 0.882) 4.190 17.856 ( -3.695 0.053 -0.862) 3.794 17.911 ( -3.425 0.181 -1.035) 3.583 18.036 ( 0.445 -1.733 0.748) 1.939 18.073 ( 0.835 -1.897 0.356) 2.103 18.077 ( -0.090 -0.900 0.396) 0.987 18.131 ( -1.026 -2.159 -0.002) 2.391 18.761 ( 3.985 3.207 0.399) 5.131 18.786 ( 1.888 0.107 -0.662) 2.003 18.887 ( -3.581 -1.413 -0.180) 3.854 19.006 ( -6.334 0.973 2.401) 6.843 19.323 ( 1.843 1.930 0.561) 2.727 19.452 ( -1.984 -2.111 -4.148) 5.060 19.594 ( -1.067 -5.699 -0.054) 5.798 19.741 ( -1.989 -0.579 -0.131) 2.076 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 14.447 0.000) 14.447 1.217 ( -0.000 15.510 0.000) 15.510 1.401 ( -0.000 4.990 -0.000) 4.990 1.509 ( 0.000 12.838 0.000) 12.838 1.703 ( -0.000 3.646 -0.000) 3.646 1.783 ( 0.000 1.693 0.000) 1.693 1.921 ( -0.000 -9.343 0.000) 9.343 2.251 ( -0.000 -7.457 -0.000) 7.457 2.339 ( -0.000 -7.211 0.000) 7.211 2.449 ( -0.000 9.572 -0.000) 9.572 2.496 ( 0.000 -2.702 0.000) 2.702 2.605 ( -0.000 3.985 -0.000) 3.985 2.647 ( -0.000 -0.428 -0.000) 0.428 2.711 ( 0.000 -1.286 0.000) 1.286 2.784 ( -0.000 0.616 -0.000) 0.616 2.871 ( 0.000 3.359 0.000) 3.359 2.913 ( -0.000 9.405 -0.000) 9.405 2.939 ( -0.000 -1.581 0.000) 1.581 3.218 ( 0.000 1.255 -0.000) 1.255 3.267 ( 0.000 -0.877 -0.000) 0.877 3.287 ( -0.000 -3.141 0.000) 3.141 3.388 ( -0.000 -3.341 -0.000) 3.341 3.592 ( 0.000 1.956 0.000) 1.956 3.628 ( -0.000 2.417 0.000) 2.417 3.725 ( 0.000 -3.717 -0.000) 3.717 3.883 ( -0.000 -4.656 0.000) 4.656 3.928 ( -0.000 -5.268 -0.000) 5.268 3.930 ( 0.000 4.055 0.000) 4.055 4.186 ( -0.000 -1.028 0.000) 1.028 4.198 ( 0.000 -0.670 -0.000) 0.670 4.198 ( 0.000 1.414 0.000) 1.414 4.245 ( 0.000 -4.718 -0.000) 4.718 4.447 ( 0.000 0.343 -0.000) 0.343 4.565 ( -0.000 -2.151 0.000) 2.151 4.600 ( 0.000 0.186 0.000) 0.186 4.644 ( 0.000 1.628 0.000) 1.628 4.865 ( 0.000 -1.795 -0.000) 1.795 5.033 ( 0.000 4.499 -0.000) 4.499 5.243 ( 0.000 5.394 0.000) 5.394 5.379 ( -0.000 3.664 -0.000) 3.664 5.537 ( -0.000 2.143 -0.000) 2.143 5.554 ( 0.000 -2.014 0.000) 2.014 5.848 ( -0.000 -4.173 0.000) 4.173 5.887 ( -0.000 -3.987 -0.000) 3.987 5.929 ( 0.000 -2.195 0.000) 2.195 5.967 ( -0.000 -4.232 -0.000) 4.232 6.169 ( 0.000 -3.842 0.000) 3.842 6.196 ( 0.000 0.666 -0.000) 0.666 6.270 ( 0.000 -0.709 -0.000) 0.709 6.458 ( 0.000 0.579 0.000) 0.579 6.669 ( -0.000 -5.428 -0.000) 5.428 6.787 ( 0.000 -2.492 0.000) 2.492 6.815 ( -0.000 -3.383 -0.000) 3.383 6.849 ( -0.000 1.669 0.000) 1.669 6.875 ( -0.000 -6.637 0.000) 6.637 7.040 ( 0.000 -0.897 -0.000) 0.897 7.085 ( -0.000 2.623 0.000) 2.623 7.223 ( 0.000 3.353 -0.000) 3.353 7.245 ( -0.000 2.038 0.000) 2.038 7.276 ( 0.000 -2.350 0.000) 2.350 7.410 ( -0.000 4.064 0.000) 4.064 7.421 ( 0.000 0.937 -0.000) 0.937 7.549 ( 0.000 3.272 0.000) 3.272 7.710 ( -0.000 1.134 0.000) 1.134 7.798 ( 0.000 0.602 -0.000) 0.602 7.864 ( 0.000 -4.146 -0.000) 4.146 7.866 ( -0.000 0.528 0.000) 0.528 7.888 ( 0.000 -2.555 -0.000) 2.555 7.992 ( 0.000 3.565 0.000) 3.565 8.054 ( -0.000 -0.468 -0.000) 0.468 8.060 ( 0.000 0.358 0.000) 0.358 8.217 ( -0.000 0.246 -0.000) 0.246 8.307 ( 0.000 1.963 0.000) 1.963 8.371 ( -0.000 -0.546 -0.000) 0.546 8.465 ( -0.000 -0.674 -0.000) 0.674 8.545 ( -0.000 3.747 -0.000) 3.747 8.649 ( -0.000 -1.533 0.000) 1.533 8.707 ( -0.000 0.220 0.000) 0.220 8.859 ( -0.000 -0.201 0.000) 0.201 8.988 ( -0.000 -0.480 -0.000) 0.480 12.294 ( 0.000 7.774 0.000) 7.774 12.346 ( 0.000 10.260 0.000) 10.260 13.813 ( 0.000 -2.550 0.000) 2.550 14.202 ( -0.000 -10.730 0.000) 10.730 17.008 ( -0.000 -0.185 0.000) 0.185 17.026 ( 0.000 0.029 -0.000) 0.029 17.104 ( 0.000 -4.553 0.000) 4.553 17.156 ( 0.000 -2.017 -0.000) 2.017 17.236 ( -0.000 0.909 0.000) 0.909 17.274 ( 0.000 0.203 0.000) 0.203 17.299 ( 0.000 0.226 0.000) 0.226 17.469 ( -0.000 -0.088 0.000) 0.088 17.693 ( 0.000 -3.073 0.000) 3.073 17.753 ( 0.000 -6.632 -0.000) 6.632 17.818 ( -0.000 3.036 0.000) 3.036 17.869 ( 0.000 1.751 0.000) 1.751 18.045 ( 0.000 -1.328 -0.000) 1.328 18.074 ( 0.000 -1.036 -0.000) 1.036 18.098 ( -0.000 -1.927 -0.000) 1.927 18.111 ( 0.000 -2.005 0.000) 2.005 18.815 ( 0.000 1.052 0.000) 1.052 18.829 ( 0.000 -0.840 -0.000) 0.840 18.831 ( -0.000 3.042 0.000) 3.042 18.931 ( 0.000 -0.226 -0.000) 0.226 19.340 ( 0.000 0.717 -0.000) 0.717 19.419 ( 0.000 1.335 0.000) 1.335 19.578 ( 0.000 -6.083 0.000) 6.083 19.719 ( -0.000 0.356 -0.000) 0.356 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 21.446 0.000) 21.446 1.285 ( 0.000 29.717 0.000) 29.717 1.312 ( 0.000 29.451 0.000) 29.451 1.635 ( 0.000 -3.083 0.000) 3.083 1.943 ( 0.000 -4.168 0.000) 4.168 1.998 ( 0.000 -5.642 0.000) 5.642 2.042 ( 0.000 4.446 0.000) 4.446 2.221 ( 0.000 -3.197 0.000) 3.197 2.271 ( 0.000 9.091 0.000) 9.091 2.359 ( 0.000 5.999 0.000) 5.999 2.613 ( 0.000 1.023 0.000) 1.023 2.617 ( 0.000 5.501 0.000) 5.501 2.712 ( 0.000 4.139 0.000) 4.139 2.756 ( 0.000 10.658 0.000) 10.658 2.806 ( 0.000 0.286 0.000) 0.286 2.856 ( 0.000 -5.058 0.000) 5.058 2.941 ( 0.000 4.384 0.000) 4.384 3.043 ( 0.000 -5.106 0.000) 5.106 3.120 ( 0.000 0.293 0.000) 0.293 3.188 ( 0.000 -1.313 0.000) 1.313 3.371 ( 0.000 2.125 0.000) 2.125 3.406 ( 0.000 0.700 0.000) 0.700 3.665 ( 0.000 -2.952 0.000) 2.952 3.722 ( 0.000 4.092 0.000) 4.092 3.826 ( 0.000 -1.022 0.000) 1.022 3.853 ( 0.000 -1.887 0.000) 1.887 3.900 ( 0.000 -3.988 0.000) 3.988 4.037 ( 0.000 -7.116 0.000) 7.116 4.127 ( 0.000 -8.068 0.000) 8.068 4.216 ( 0.000 2.623 0.000) 2.623 4.247 ( 0.000 -3.506 0.000) 3.506 4.251 ( 0.000 -2.418 0.000) 2.418 4.309 ( 0.000 0.413 0.000) 0.413 4.437 ( 0.000 -5.593 0.000) 5.593 4.727 ( 0.000 -0.035 0.000) 0.035 4.775 ( 0.000 -0.486 0.000) 0.486 4.855 ( 0.000 5.619 0.000) 5.619 4.992 ( 0.000 0.614 0.000) 0.614 5.287 ( 0.000 -5.560 0.000) 5.560 5.404 ( 0.000 -0.241 0.000) 0.241 5.495 ( 0.000 -1.012 0.000) 1.012 5.687 ( 0.000 -4.828 0.000) 4.828 5.701 ( 0.000 -7.239 0.000) 7.239 5.806 ( 0.000 -4.257 0.000) 4.257 5.829 ( 0.000 -6.341 0.000) 6.341 5.903 ( 0.000 -2.379 0.000) 2.379 6.009 ( 0.000 -3.888 0.000) 3.888 6.196 ( 0.000 -6.850 0.000) 6.850 6.423 ( 0.000 3.568 0.000) 3.568 6.448 ( 0.000 3.326 0.000) 3.326 6.536 ( 0.000 2.787 0.000) 2.787 6.575 ( 0.000 -2.431 0.000) 2.431 6.759 ( 0.000 3.727 0.000) 3.727 6.781 ( 0.000 1.529 0.000) 1.529 6.924 ( 0.000 -0.981 0.000) 0.981 6.984 ( 0.000 -3.296 0.000) 3.296 7.120 ( 0.000 1.487 0.000) 1.487 7.191 ( 0.000 -2.992 0.000) 2.992 7.276 ( 0.000 2.158 0.000) 2.158 7.300 ( 0.000 2.192 0.000) 2.192 7.401 ( 0.000 -0.786 0.000) 0.786 7.518 ( 0.000 3.283 0.000) 3.283 7.596 ( 0.000 2.381 0.000) 2.381 7.684 ( 0.000 -3.777 0.000) 3.777 7.763 ( 0.000 3.710 0.000) 3.710 7.766 ( 0.000 -3.091 0.000) 3.091 7.826 ( 0.000 -1.121 0.000) 1.121 7.920 ( 0.000 -1.045 0.000) 1.045 7.996 ( 0.000 -1.316 0.000) 1.316 8.142 ( 0.000 -0.118 0.000) 0.118 8.149 ( 0.000 1.259 0.000) 1.259 8.167 ( 0.000 1.689 0.000) 1.689 8.394 ( 0.000 0.555 0.000) 0.555 8.396 ( 0.000 -1.657 0.000) 1.657 8.439 ( 0.000 -2.788 0.000) 2.788 8.547 ( 0.000 0.181 0.000) 0.181 8.701 ( 0.000 3.468 0.000) 3.468 8.768 ( 0.000 2.688 0.000) 2.688 8.812 ( 0.000 -0.959 0.000) 0.959 8.899 ( 0.000 0.848 0.000) 0.848 12.505 ( 0.000 12.572 0.000) 12.572 12.923 ( 0.000 2.400 0.000) 2.400 13.608 ( 0.000 -5.174 0.000) 5.174 13.886 ( 0.000 -11.032 0.000) 11.032 17.017 ( 0.000 0.056 0.000) 0.056 17.019 ( 0.000 1.482 0.000) 1.482 17.063 ( 0.000 1.666 0.000) 1.666 17.092 ( 0.000 2.751 0.000) 2.751 17.293 ( 0.000 4.813 0.000) 4.813 17.296 ( 0.000 2.924 0.000) 2.924 17.316 ( 0.000 0.114 0.000) 0.114 17.479 ( 0.000 -1.938 0.000) 1.938 17.482 ( 0.000 4.491 0.000) 4.491 17.732 ( 0.000 -6.045 0.000) 6.045 17.859 ( 0.000 -6.470 0.000) 6.470 17.946 ( 0.000 -0.864 0.000) 0.864 18.034 ( 0.000 0.147 0.000) 0.147 18.038 ( 0.000 0.011 0.000) 0.011 18.056 ( 0.000 -1.083 0.000) 1.083 18.128 ( 0.000 -0.532 0.000) 0.532 18.743 ( 0.000 1.728 0.000) 1.728 18.745 ( 0.000 0.057 0.000) 0.057 18.911 ( 0.000 -3.246 0.000) 3.246 19.142 ( 0.000 -5.717 0.000) 5.717 19.233 ( 0.000 3.539 0.000) 3.539 19.443 ( 0.000 -1.500 0.000) 1.500 19.459 ( 0.000 -8.020 0.000) 8.020 19.703 ( 0.000 -5.956 0.000) 5.956 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 11.901 16.852 10.144) 22.990 1.314 ( 2.196 27.529 7.381) 28.586 1.487 ( 13.492 15.036 1.919) 20.293 1.637 ( 7.593 2.326 -7.390) 10.848 1.894 ( -4.992 -0.095 -5.154) 7.176 1.973 ( -3.270 -1.916 0.654) 3.846 2.051 ( -0.600 -0.088 0.513) 0.794 2.125 ( -3.036 4.845 -5.354) 7.833 2.302 ( -1.970 6.553 4.247) 8.054 2.373 ( 4.241 0.497 -2.643) 5.021 2.508 ( -4.625 3.951 -1.637) 6.300 2.550 ( -8.508 -0.187 -1.694) 8.677 2.663 ( -3.110 -0.104 -1.398) 3.411 2.708 ( -2.683 8.558 -2.297) 9.258 2.781 ( -0.254 -1.069 -1.608) 1.947 2.897 ( -1.776 3.021 4.671) 5.839 2.940 ( -0.705 -4.231 3.405) 5.477 3.027 ( 3.741 -2.236 0.141) 4.361 3.192 ( 0.301 3.752 1.786) 4.166 3.275 ( 8.312 0.167 0.787) 8.351 3.369 ( -1.148 -1.429 -2.684) 3.250 3.412 ( -0.465 4.642 3.579) 5.879 3.639 ( 0.170 -3.894 -3.640) 5.333 3.709 ( -1.146 5.169 -1.212) 5.431 3.776 ( -2.231 -2.039 -2.943) 4.219 3.889 ( 2.284 -1.476 0.031) 2.720 3.941 ( -1.009 -1.382 0.431) 1.765 4.011 ( 0.827 -9.370 0.942) 9.454 4.106 ( -4.590 -1.788 -3.475) 6.028 4.142 ( -1.917 -5.784 -0.400) 6.106 4.205 ( -3.145 0.717 1.111) 3.411 4.290 ( 0.855 0.102 -0.064) 0.864 4.333 ( 2.205 -1.651 1.774) 3.277 4.406 ( 0.743 -2.728 -2.172) 3.565 4.707 ( -2.416 0.759 0.531) 2.588 4.744 ( -1.865 -2.047 -1.179) 3.010 4.870 ( 0.558 3.754 -0.925) 3.906 4.992 ( 1.286 4.114 1.862) 4.695 5.309 ( 1.903 -2.777 0.632) 3.425 5.417 ( -0.574 -1.461 -0.806) 1.764 5.499 ( -1.522 -2.910 -2.271) 3.993 5.654 ( -1.217 -7.298 8.034) 10.922 5.708 ( 1.349 -5.216 -0.829) 5.451 5.796 ( -1.383 -5.090 0.461) 5.294 5.888 ( 0.058 -4.518 -1.461) 4.748 5.981 ( 3.244 -4.761 9.169) 10.829 6.056 ( -0.121 -1.143 1.700) 2.052 6.139 ( -1.086 -5.169 2.248) 5.741 6.355 ( -0.480 2.001 -6.618) 6.930 6.371 ( -4.859 0.499 -5.984) 7.725 6.577 ( 0.830 0.372 -0.620) 1.101 6.614 ( 1.623 -0.948 5.654) 5.958 6.757 ( 0.254 0.071 -0.457) 0.528 6.809 ( 2.861 2.114 -1.329) 3.797 6.923 ( -2.984 -0.347 3.509) 4.619 6.976 ( 0.366 -3.274 -0.372) 3.316 7.115 ( 1.741 3.096 -2.397) 4.285 7.177 ( -0.799 -2.497 -0.043) 2.622 7.288 ( 1.157 1.403 -1.502) 2.358 7.319 ( -0.163 1.750 2.869) 3.365 7.408 ( -0.286 0.195 1.958) 1.988 7.528 ( 1.818 3.115 -2.383) 4.323 7.615 ( 1.042 3.033 0.660) 3.274 7.697 ( 0.710 -3.381 1.639) 3.824 7.754 ( 0.564 1.814 -1.585) 2.474 7.793 ( 1.635 -0.376 0.561) 1.769 7.826 ( 0.047 -1.881 -0.270) 1.901 7.914 ( -0.471 -0.933 -0.190) 1.062 7.984 ( -0.282 -0.873 -0.743) 1.181 8.132 ( -2.027 -0.238 1.409) 2.480 8.139 ( -1.809 2.140 -0.273) 2.816 8.171 ( 1.292 0.454 0.488) 1.453 8.372 ( -0.341 1.579 -2.676) 3.125 8.397 ( -0.390 -1.320 0.730) 1.558 8.434 ( -0.057 -2.596 -0.742) 2.700 8.568 ( 0.834 -0.787 1.700) 2.050 8.693 ( -1.048 2.180 -1.447) 2.819 8.723 ( -0.438 3.850 -2.034) 4.376 8.841 ( 0.307 -0.710 1.440) 1.635 8.921 ( 1.342 0.184 1.398) 1.946 12.515 ( 0.450 12.780 0.793) 12.812 12.775 ( -9.360 9.428 -3.297) 13.688 13.641 ( 2.631 -5.430 0.670) 6.071 13.945 ( 4.109 -15.313 -1.931) 15.972 17.010 ( 0.344 0.512 -1.714) 1.822 17.020 ( -0.827 0.779 0.863) 1.427 17.050 ( -2.501 1.484 -0.561) 2.961 17.082 ( 0.984 1.475 0.508) 1.844 17.230 ( -2.102 1.198 -0.726) 2.526 17.256 ( -0.711 2.395 -2.416) 3.476 17.348 ( 0.240 1.832 1.185) 2.195 17.425 ( 1.029 2.247 -0.875) 2.622 17.618 ( 3.308 -0.279 3.010) 4.481 17.706 ( -2.024 -6.288 -0.849) 6.660 17.849 ( -0.558 -4.753 0.577) 4.820 17.964 ( 0.016 -0.091 0.201) 0.221 18.021 ( -0.239 -0.495 -1.156) 1.280 18.023 ( -1.930 -0.240 2.203) 2.939 18.059 ( 0.495 -0.739 -0.279) 0.932 18.117 ( -0.915 -0.740 0.089) 1.180 18.755 ( 0.555 -0.614 0.429) 0.932 18.758 ( 1.688 1.967 0.237) 2.602 18.893 ( -1.637 -2.921 -0.365) 3.368 19.086 ( -4.882 -2.775 1.624) 5.845 19.297 ( 3.786 1.599 0.754) 4.179 19.426 ( -0.437 -6.096 -2.942) 6.783 19.480 ( 0.906 -5.009 0.388) 5.105 19.704 ( 0.167 -4.212 0.759) 4.283 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.897 18.144 12.672) 22.666 1.472 ( 10.476 17.430 -3.553) 20.644 1.582 ( 3.773 0.975 -7.714) 8.642 1.699 ( -1.368 1.626 -10.569) 10.780 1.874 ( -5.668 2.370 0.632) 6.176 1.930 ( 3.950 6.906 0.998) 8.018 1.963 ( -1.160 5.485 -4.771) 7.361 2.042 ( -4.435 -2.137 0.767) 4.982 2.301 ( -9.095 2.600 1.297) 9.548 2.364 ( 7.108 4.484 7.042) 10.964 2.444 ( -1.349 -2.487 1.559) 3.230 2.531 ( 5.088 -3.861 3.601) 7.333 2.604 ( -5.447 1.122 4.645) 7.246 2.664 ( 2.247 0.461 -2.526) 3.412 2.794 ( 3.585 -1.456 -1.207) 4.053 2.896 ( -1.054 3.257 3.041) 4.579 2.988 ( 1.233 1.453 0.063) 1.907 3.108 ( 2.662 0.778 1.306) 3.066 3.196 ( -0.932 4.789 -0.019) 4.879 3.290 ( -4.553 -2.346 -2.666) 5.775 3.368 ( -1.389 3.768 -1.330) 4.230 3.421 ( 2.878 2.892 -1.171) 4.245 3.631 ( -0.307 -0.341 -0.211) 0.505 3.651 ( -1.377 1.242 -3.156) 3.661 3.697 ( -2.887 -3.847 -2.356) 5.356 3.824 ( -2.283 1.089 -4.114) 4.829 3.927 ( -0.021 -2.710 -2.244) 3.519 4.031 ( -1.926 1.117 0.844) 2.381 4.072 ( 0.181 -4.085 1.725) 4.438 4.128 ( -1.243 -6.488 3.636) 7.541 4.156 ( -1.433 -0.300 1.427) 2.044 4.273 ( -1.046 -0.576 -2.455) 2.730 4.403 ( 3.112 -2.820 -0.742) 4.264 4.438 ( 4.149 -1.558 0.114) 4.434 4.671 ( -2.417 0.330 1.017) 2.643 4.681 ( -3.422 -1.406 -1.013) 3.836 4.855 ( -0.239 1.254 -1.081) 1.673 5.068 ( 2.815 4.720 3.264) 6.392 5.349 ( -1.356 2.469 -0.146) 2.820 5.401 ( 3.255 -3.577 0.693) 4.885 5.465 ( 1.119 0.516 -1.642) 2.053 5.688 ( -2.926 -1.353 -0.670) 3.293 5.731 ( -0.262 -6.986 5.476) 8.880 5.764 ( -2.335 -7.135 0.829) 7.553 5.867 ( -0.176 -5.580 -1.655) 5.823 5.942 ( -2.821 0.163 -4.199) 5.061 6.115 ( 0.438 -3.146 7.760) 8.384 6.190 ( -6.833 -2.627 -4.474) 8.580 6.270 ( 1.757 -0.912 1.452) 2.455 6.334 ( 5.027 -1.506 2.865) 5.979 6.582 ( 0.901 -1.341 -2.688) 3.136 6.668 ( -0.101 -5.816 2.019) 6.157 6.753 ( -0.330 -2.349 -0.886) 2.532 6.826 ( -0.530 -1.367 -2.885) 3.236 6.878 ( -0.112 1.269 -0.446) 1.350 7.012 ( 0.277 -0.685 4.270) 4.333 7.125 ( 1.129 2.215 -2.747) 3.705 7.190 ( 2.613 -1.549 -0.353) 3.058 7.295 ( 1.680 2.470 -2.118) 3.662 7.326 ( -2.668 2.345 3.925) 5.294 7.424 ( -0.748 0.993 3.267) 3.496 7.516 ( 0.240 2.972 -4.150) 5.110 7.627 ( -0.082 3.829 0.133) 3.832 7.733 ( 0.678 -0.864 0.897) 1.418 7.754 ( 0.666 -0.795 -0.072) 1.039 7.815 ( 0.776 -0.001 -1.399) 1.600 7.832 ( 0.752 -2.399 1.023) 2.714 7.900 ( -0.336 1.473 -0.845) 1.731 7.998 ( 2.215 -0.372 -0.116) 2.249 8.087 ( -3.117 1.497 0.819) 3.554 8.104 ( -2.081 0.612 0.036) 2.169 8.207 ( 1.212 0.128 0.994) 1.573 8.344 ( 0.069 1.880 -1.645) 2.499 8.389 ( -1.408 -0.300 0.485) 1.519 8.434 ( 0.950 -1.874 -0.454) 2.149 8.594 ( 0.543 -2.188 0.491) 2.307 8.649 ( -1.278 3.551 -1.081) 3.926 8.719 ( 0.853 2.285 -1.104) 2.678 8.851 ( -0.360 -0.528 1.101) 1.273 8.958 ( 1.030 -0.805 0.917) 1.597 12.519 ( -0.884 12.515 -0.185) 12.547 12.627 ( -3.360 13.471 -0.760) 13.904 13.697 ( 2.237 -6.336 0.400) 6.731 13.957 ( 0.407 -14.860 -2.501) 15.075 16.997 ( -0.272 -0.747 -0.121) 0.804 17.002 ( 0.444 -0.575 -1.650) 1.803 17.036 ( -0.115 -0.546 0.931) 1.086 17.112 ( 1.255 -1.126 0.047) 1.687 17.221 ( 0.153 0.900 2.226) 2.406 17.248 ( -0.459 0.837 2.576) 2.747 17.345 ( -0.769 1.297 -0.766) 1.692 17.451 ( 2.877 1.605 -2.298) 4.016 17.613 ( -2.848 -6.719 -1.199) 7.396 17.668 ( -1.737 -5.180 -1.254) 5.606 17.859 ( 0.320 1.015 1.322) 1.697 17.933 ( -2.463 1.292 0.313) 2.798 18.008 ( 0.232 -1.018 -0.442) 1.134 18.039 ( 0.685 -1.089 1.303) 1.831 18.071 ( 0.791 0.229 -0.148) 0.837 18.101 ( -1.146 -0.792 0.742) 1.578 18.772 ( 1.031 -1.513 0.100) 1.834 18.808 ( 2.524 0.506 0.449) 2.613 18.854 ( -1.322 -1.205 -0.352) 1.823 19.002 ( -5.333 -1.440 0.712) 5.570 19.322 ( 0.203 -3.716 -3.137) 4.868 19.443 ( 1.871 -0.389 1.252) 2.284 19.461 ( -0.900 -4.127 0.081) 4.225 19.720 ( 0.069 -1.201 0.613) 1.350 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 16.408 0.000) 16.408 1.517 ( 0.000 5.261 -0.000) 5.261 1.599 ( -0.000 18.442 -0.000) 18.442 1.672 ( 0.000 -4.526 -0.000) 4.526 1.794 ( 0.000 5.479 0.000) 5.479 1.835 ( 0.000 8.174 -0.000) 8.174 1.885 ( -0.000 6.505 0.000) 6.505 2.066 ( 0.000 -9.942 -0.000) 9.942 2.218 ( 0.000 -1.493 0.000) 1.493 2.423 ( 0.000 -3.814 0.000) 3.814 2.561 ( 0.000 -0.132 0.000) 0.132 2.562 ( -0.000 -3.362 -0.000) 3.362 2.619 ( -0.000 -2.967 0.000) 2.967 2.819 ( -0.000 -1.912 -0.000) 1.912 2.821 ( 0.000 8.159 0.000) 8.159 2.905 ( 0.000 3.070 -0.000) 3.070 2.939 ( -0.000 2.611 -0.000) 2.611 3.105 ( -0.000 9.371 0.000) 9.371 3.169 ( 0.000 -4.271 0.000) 4.271 3.212 ( -0.000 -1.534 -0.000) 1.534 3.352 ( 0.000 7.660 -0.000) 7.660 3.411 ( 0.000 4.388 0.000) 4.388 3.582 ( -0.000 -4.336 0.000) 4.336 3.653 ( -0.000 -2.114 0.000) 2.114 3.675 ( 0.000 1.379 -0.000) 1.379 3.807 ( 0.000 -0.473 -0.000) 0.473 3.881 ( 0.000 -0.169 -0.000) 0.169 4.031 ( 0.000 4.456 0.000) 4.456 4.052 ( -0.000 -7.688 0.000) 7.688 4.127 ( 0.000 -3.611 -0.000) 3.611 4.205 ( 0.000 -1.606 -0.000) 1.606 4.222 ( 0.000 -2.519 0.000) 2.519 4.420 ( -0.000 -3.049 0.000) 3.049 4.527 ( -0.000 -1.502 0.000) 1.502 4.597 ( 0.000 -0.601 0.000) 0.601 4.663 ( 0.000 -0.034 0.000) 0.034 4.848 ( 0.000 0.411 -0.000) 0.411 5.119 ( 0.000 3.726 0.000) 3.726 5.321 ( -0.000 1.483 -0.000) 1.483 5.464 ( -0.000 3.984 -0.000) 3.984 5.493 ( -0.000 -3.861 0.000) 3.861 5.610 ( 0.000 4.571 0.000) 4.571 5.741 ( -0.000 -5.965 0.000) 5.965 5.761 ( -0.000 -8.562 0.000) 8.562 5.857 ( 0.000 -6.082 -0.000) 6.082 5.905 ( 0.000 0.378 -0.000) 0.378 6.072 ( 0.000 -4.573 0.000) 4.573 6.172 ( 0.000 -2.978 0.000) 2.978 6.270 ( 0.000 0.727 -0.000) 0.727 6.470 ( -0.000 0.448 0.000) 0.448 6.544 ( 0.000 -6.134 0.000) 6.134 6.666 ( -0.000 -9.134 0.000) 9.134 6.731 ( 0.000 -2.727 0.000) 2.727 6.802 ( -0.000 -2.246 -0.000) 2.246 6.890 ( -0.000 2.167 0.000) 2.167 7.041 ( 0.000 1.035 -0.000) 1.035 7.114 ( -0.000 0.303 0.000) 0.303 7.225 ( 0.000 -1.700 0.000) 1.700 7.307 ( 0.000 4.067 -0.000) 4.067 7.309 ( -0.000 2.819 0.000) 2.819 7.441 ( -0.000 1.482 0.000) 1.482 7.481 ( 0.000 2.778 -0.000) 2.778 7.625 ( 0.000 4.286 -0.000) 4.286 7.738 ( 0.000 1.269 0.000) 1.269 7.765 ( 0.000 -4.967 -0.000) 4.967 7.817 ( -0.000 0.789 0.000) 0.789 7.847 ( 0.000 -1.174 0.000) 1.174 7.894 ( 0.000 2.398 -0.000) 2.398 8.034 ( 0.000 -0.960 -0.000) 0.960 8.057 ( -0.000 1.658 0.000) 1.658 8.071 ( 0.000 1.571 -0.000) 1.571 8.224 ( -0.000 0.127 -0.000) 0.127 8.344 ( 0.000 1.489 0.000) 1.489 8.369 ( -0.000 0.091 -0.000) 0.091 8.445 ( -0.000 -1.204 -0.000) 1.204 8.598 ( -0.000 -2.061 0.000) 2.061 8.633 ( -0.000 3.486 0.000) 3.486 8.723 ( -0.000 1.434 0.000) 1.434 8.853 ( -0.000 -0.440 0.000) 0.440 8.972 ( -0.000 -1.111 -0.000) 1.111 12.500 ( 0.000 11.952 0.000) 11.952 12.604 ( 0.000 14.343 0.000) 14.343 13.720 ( 0.000 -7.302 0.000) 7.302 13.945 ( -0.000 -13.121 0.000) 13.121 16.995 ( -0.000 -0.898 0.000) 0.898 17.002 ( 0.000 -2.418 -0.000) 2.418 17.043 ( 0.000 -1.345 0.000) 1.345 17.122 ( 0.000 -1.921 0.000) 1.921 17.245 ( -0.000 0.300 0.000) 0.300 17.279 ( 0.000 0.385 0.000) 0.385 17.312 ( -0.000 1.228 -0.000) 1.228 17.471 ( -0.000 0.332 -0.000) 0.332 17.574 ( 0.000 -9.329 0.000) 9.329 17.628 ( -0.000 -3.310 -0.000) 3.310 17.874 ( -0.000 2.432 0.000) 2.432 17.905 ( 0.000 1.591 -0.000) 1.591 18.011 ( -0.000 -1.643 0.000) 1.643 18.059 ( 0.000 -0.717 0.000) 0.717 18.071 ( -0.000 -0.501 0.000) 0.501 18.097 ( 0.000 0.582 0.000) 0.582 18.795 ( 0.000 -2.615 0.000) 2.615 18.803 ( -0.000 -1.789 0.000) 1.789 18.886 ( -0.000 1.556 0.000) 1.556 18.925 ( 0.000 -0.389 -0.000) 0.389 19.303 ( 0.000 -3.726 -0.000) 3.726 19.425 ( -0.000 -8.755 0.000) 8.755 19.502 ( 0.000 5.741 0.000) 5.741 19.718 ( -0.000 -0.202 -0.000) 0.202 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 20.747 0.000) 20.747 1.595 ( 0.000 2.099 0.000) 2.099 1.756 ( 0.000 2.139 0.000) 2.139 1.874 ( 0.000 25.497 0.000) 25.497 1.885 ( 0.000 0.046 0.000) 0.046 1.946 ( 0.000 12.409 0.000) 12.409 2.123 ( 0.000 2.282 0.000) 2.282 2.123 ( 0.000 -6.218 0.000) 6.218 2.428 ( 0.000 1.309 0.000) 1.309 2.446 ( 0.000 2.577 0.000) 2.577 2.524 ( 0.000 -5.193 0.000) 5.193 2.666 ( 0.000 -0.505 0.000) 0.505 2.747 ( 0.000 -4.590 0.000) 4.590 2.806 ( 0.000 9.267 0.000) 9.267 2.829 ( 0.000 3.278 0.000) 3.278 2.894 ( 0.000 -3.248 0.000) 3.248 2.981 ( 0.000 0.758 0.000) 0.758 3.128 ( 0.000 5.265 0.000) 5.265 3.183 ( 0.000 3.847 0.000) 3.847 3.237 ( 0.000 12.154 0.000) 12.154 3.283 ( 0.000 -6.724 0.000) 6.724 3.400 ( 0.000 -1.415 0.000) 1.415 3.653 ( 0.000 -3.419 0.000) 3.419 3.696 ( 0.000 -7.576 0.000) 7.576 3.784 ( 0.000 -5.813 0.000) 5.813 3.817 ( 0.000 1.490 0.000) 1.490 3.864 ( 0.000 2.217 0.000) 2.217 3.977 ( 0.000 -4.341 0.000) 4.341 3.993 ( 0.000 1.851 0.000) 1.851 4.186 ( 0.000 -2.297 0.000) 2.297 4.215 ( 0.000 -1.649 0.000) 1.649 4.257 ( 0.000 -2.017 0.000) 2.017 4.292 ( 0.000 -3.026 0.000) 3.026 4.351 ( 0.000 2.954 0.000) 2.954 4.685 ( 0.000 -4.043 0.000) 4.043 4.721 ( 0.000 -5.003 0.000) 5.003 4.982 ( 0.000 6.118 0.000) 6.118 5.032 ( 0.000 3.760 0.000) 3.760 5.180 ( 0.000 -4.449 0.000) 4.449 5.387 ( 0.000 -1.927 0.000) 1.927 5.445 ( 0.000 -3.851 0.000) 3.851 5.528 ( 0.000 -8.722 0.000) 8.722 5.608 ( 0.000 -2.134 0.000) 2.134 5.730 ( 0.000 -3.915 0.000) 3.915 5.730 ( 0.000 -3.094 0.000) 3.094 5.871 ( 0.000 -1.133 0.000) 1.133 5.893 ( 0.000 -6.494 0.000) 6.494 6.030 ( 0.000 -8.460 0.000) 8.460 6.470 ( 0.000 1.549 0.000) 1.549 6.491 ( 0.000 1.196 0.000) 1.196 6.585 ( 0.000 2.593 0.000) 2.593 6.603 ( 0.000 3.740 0.000) 3.740 6.779 ( 0.000 -0.926 0.000) 0.926 6.868 ( 0.000 5.952 0.000) 5.952 6.912 ( 0.000 -3.496 0.000) 3.496 6.962 ( 0.000 3.822 0.000) 3.822 7.131 ( 0.000 -0.460 0.000) 0.460 7.137 ( 0.000 -2.590 0.000) 2.590 7.324 ( 0.000 1.777 0.000) 1.777 7.338 ( 0.000 1.349 0.000) 1.349 7.395 ( 0.000 0.709 0.000) 0.709 7.537 ( 0.000 -1.653 0.000) 1.653 7.614 ( 0.000 -2.808 0.000) 2.808 7.645 ( 0.000 0.875 0.000) 0.875 7.712 ( 0.000 -0.118 0.000) 0.118 7.821 ( 0.000 1.907 0.000) 1.907 7.830 ( 0.000 0.835 0.000) 0.835 7.886 ( 0.000 -2.125 0.000) 2.125 7.986 ( 0.000 1.198 0.000) 1.198 8.151 ( 0.000 0.665 0.000) 0.665 8.165 ( 0.000 -0.451 0.000) 0.451 8.174 ( 0.000 -0.242 0.000) 0.242 8.367 ( 0.000 -1.853 0.000) 1.853 8.371 ( 0.000 -0.962 0.000) 0.962 8.446 ( 0.000 2.190 0.000) 2.190 8.545 ( 0.000 -0.375 0.000) 0.375 8.751 ( 0.000 1.553 0.000) 1.553 8.794 ( 0.000 -0.804 0.000) 0.804 8.827 ( 0.000 2.966 0.000) 2.966 8.912 ( 0.000 0.296 0.000) 0.296 12.784 ( 0.000 14.734 0.000) 14.734 12.996 ( 0.000 4.941 0.000) 4.941 13.473 ( 0.000 -8.093 0.000) 8.093 13.643 ( 0.000 -12.813 0.000) 12.813 17.014 ( 0.000 -0.209 0.000) 0.209 17.025 ( 0.000 -0.428 0.000) 0.428 17.126 ( 0.000 4.251 0.000) 4.251 17.168 ( 0.000 4.642 0.000) 4.642 17.326 ( 0.000 0.750 0.000) 0.750 17.342 ( 0.000 0.979 0.000) 0.979 17.381 ( 0.000 3.220 0.000) 3.220 17.442 ( 0.000 -1.479 0.000) 1.479 17.556 ( 0.000 1.317 0.000) 1.317 17.603 ( 0.000 -5.946 0.000) 5.946 17.756 ( 0.000 -1.859 0.000) 1.859 17.922 ( 0.000 -1.587 0.000) 1.587 18.037 ( 0.000 -0.035 0.000) 0.035 18.043 ( 0.000 -0.353 0.000) 0.353 18.045 ( 0.000 0.890 0.000) 0.890 18.118 ( 0.000 -0.608 0.000) 0.608 18.743 ( 0.000 -0.144 0.000) 0.144 18.773 ( 0.000 1.203 0.000) 1.203 18.850 ( 0.000 -2.681 0.000) 2.681 19.023 ( 0.000 -6.013 0.000) 6.013 19.278 ( 0.000 -3.005 0.000) 3.005 19.342 ( 0.000 1.138 0.000) 1.138 19.364 ( 0.000 -5.845 0.000) 5.845 19.597 ( 0.000 -4.339 0.000) 4.339 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 9.373 16.976 8.998) 21.378 1.476 ( -3.160 -2.420 -7.508) 8.498 1.810 ( -7.062 8.537 7.965) 13.645 1.841 ( -1.698 0.442 8.320) 8.503 1.912 ( 0.124 7.022 -0.180) 7.025 1.979 ( 4.773 12.132 -8.748) 15.701 2.133 ( 2.844 2.414 -0.883) 3.834 2.183 ( 2.332 6.183 2.778) 7.168 2.306 ( -1.479 -1.359 -5.376) 5.739 2.457 ( -0.252 6.813 1.170) 6.918 2.513 ( -8.755 -2.773 -2.537) 9.528 2.588 ( -0.259 -8.935 -2.390) 9.252 2.681 ( -8.686 0.348 1.313) 8.791 2.695 ( -1.056 -1.415 -5.579) 5.852 2.740 ( -3.065 8.846 -3.635) 10.042 2.954 ( -0.162 0.690 0.683) 0.984 2.994 ( -2.651 5.621 3.226) 7.002 3.087 ( 3.567 -2.752 2.206) 5.017 3.227 ( -1.829 7.963 6.501) 10.441 3.284 ( 2.486 -4.759 -1.884) 5.690 3.368 ( 6.331 6.136 -0.949) 8.867 3.457 ( 5.024 -0.483 0.803) 5.111 3.607 ( 0.910 -1.535 -6.513) 6.753 3.720 ( -4.921 -2.893 1.073) 5.809 3.763 ( 2.192 -4.016 1.537) 4.827 3.861 ( 1.546 -0.521 0.396) 1.679 3.884 ( 1.081 -0.232 2.400) 2.643 3.937 ( -2.119 0.928 -1.348) 2.677 4.000 ( -0.590 -4.416 -0.627) 4.499 4.102 ( -2.625 0.324 -2.599) 3.708 4.199 ( -2.117 -2.688 -1.077) 3.587 4.276 ( 0.426 -6.285 -1.766) 6.543 4.305 ( 1.956 0.775 1.048) 2.350 4.358 ( 0.774 2.611 -0.141) 2.727 4.670 ( -1.462 -3.800 0.328) 4.085 4.691 ( -2.673 -4.270 0.126) 5.039 4.961 ( -0.626 5.178 -2.982) 6.008 5.075 ( 3.294 4.302 1.402) 5.596 5.229 ( 3.438 -3.973 2.229) 5.707 5.402 ( -3.146 -5.884 -3.968) 7.763 5.414 ( 1.242 -0.779 2.514) 2.911 5.502 ( 0.198 -6.637 2.633) 7.143 5.624 ( 1.376 -2.919 0.053) 3.227 5.716 ( -2.427 -2.760 2.836) 4.642 5.808 ( -0.550 -3.300 -1.081) 3.516 5.885 ( 2.473 -4.773 8.403) 9.976 5.994 ( 5.045 -5.821 8.446) 11.431 6.012 ( -2.096 -5.125 0.612) 5.570 6.340 ( -4.329 1.467 -8.452) 9.609 6.463 ( -1.736 4.263 -7.686) 8.959 6.587 ( 1.886 -0.812 -4.555) 4.997 6.615 ( -0.768 1.800 1.904) 2.730 6.746 ( -2.522 -0.937 0.598) 2.756 6.863 ( -1.572 -0.443 -3.634) 3.984 6.895 ( 0.415 1.320 0.885) 1.643 6.979 ( 0.149 2.890 3.288) 4.380 7.128 ( -0.127 -2.249 0.104) 2.255 7.147 ( 1.361 -0.134 -0.623) 1.503 7.323 ( 1.928 1.358 -3.285) 4.044 7.347 ( -0.946 0.792 2.861) 3.116 7.426 ( 1.705 1.824 1.633) 2.983 7.548 ( 1.440 -1.001 -1.488) 2.300 7.636 ( 1.016 -2.197 2.511) 3.487 7.673 ( 1.049 0.698 2.437) 2.743 7.741 ( 1.842 0.290 1.146) 2.189 7.816 ( -0.246 1.747 -1.672) 2.431 7.820 ( -0.133 0.065 -1.110) 1.120 7.898 ( 1.130 -0.639 1.522) 2.001 7.988 ( 0.732 1.751 -0.904) 2.102 8.131 ( -2.220 0.128 0.713) 2.336 8.167 ( -0.373 0.548 -0.759) 1.008 8.171 ( 0.215 -0.788 0.532) 0.975 8.367 ( 0.727 -1.442 -0.596) 1.722 8.374 ( -0.699 -1.219 1.521) 2.071 8.431 ( -0.666 2.164 -1.502) 2.717 8.549 ( -0.134 -1.122 0.666) 1.312 8.734 ( -0.860 1.871 -0.827) 2.219 8.788 ( 0.692 1.967 -2.546) 3.291 8.834 ( -0.488 0.480 1.762) 1.890 8.919 ( 0.624 -0.398 0.245) 0.780 12.797 ( 0.461 14.715 0.727) 14.740 12.940 ( -3.882 7.858 -1.217) 8.849 13.494 ( 1.522 -9.070 0.253) 9.201 13.660 ( 1.588 -13.329 -0.314) 13.427 17.009 ( 0.040 -0.173 -0.956) 0.973 17.024 ( -0.308 -0.430 0.299) 0.607 17.093 ( -4.228 2.870 -1.282) 5.269 17.127 ( -2.491 2.715 -0.929) 3.800 17.261 ( -2.971 1.678 1.250) 3.634 17.298 ( -3.177 1.327 -0.792) 3.533 17.381 ( -0.275 0.977 0.470) 1.118 17.459 ( 1.241 0.754 0.141) 1.459 17.561 ( -1.028 -4.582 -2.544) 5.340 17.599 ( 0.041 -4.093 -1.000) 4.214 17.811 ( 3.757 1.458 3.043) 5.050 17.954 ( 1.944 -0.863 0.649) 2.223 18.020 ( -1.663 0.399 -0.715) 1.853 18.025 ( -1.437 0.129 0.612) 1.568 18.052 ( 0.994 -0.048 -0.120) 1.002 18.105 ( -0.708 -0.647 -0.529) 1.095 18.734 ( -0.835 -1.130 0.410) 1.464 18.784 ( 0.495 0.145 0.158) 0.540 18.839 ( -0.431 -1.844 -0.357) 1.927 19.002 ( -2.211 -4.864 0.521) 5.368 19.259 ( -0.268 -4.877 -3.347) 5.921 19.353 ( -1.544 -6.384 -0.017) 6.568 19.405 ( 4.663 3.131 2.657) 6.214 19.633 ( 2.527 -3.039 1.882) 4.378 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 3.007 -6.874 -5.978) 9.593 1.614 ( 3.880 15.006 12.253) 19.758 1.714 ( -9.408 -11.653 6.090) 16.168 1.807 ( -1.902 6.402 -10.186) 12.180 1.916 ( 0.234 3.432 1.761) 3.865 1.977 ( 3.720 13.340 -3.302) 14.237 2.054 ( -5.792 0.897 -6.588) 8.818 2.154 ( -5.737 4.833 -1.140) 7.588 2.362 ( 1.196 5.260 1.716) 5.660 2.427 ( 1.575 0.358 4.106) 4.412 2.496 ( 0.974 1.244 1.335) 2.068 2.516 ( -4.533 2.897 -1.074) 5.485 2.560 ( -2.989 1.870 0.487) 3.559 2.681 ( 4.881 -0.650 -0.282) 4.933 2.723 ( 3.523 2.137 1.808) 4.500 2.961 ( 0.780 -0.776 2.939) 3.138 3.010 ( 0.017 -0.641 1.305) 1.454 3.152 ( -1.104 -3.336 3.210) 4.759 3.237 ( 0.249 8.110 -0.744) 8.148 3.294 ( -1.258 -0.264 -0.301) 1.320 3.444 ( 5.601 1.716 -5.954) 8.352 3.525 ( 0.736 4.263 0.424) 4.347 3.583 ( -1.554 -1.365 -1.009) 2.302 3.613 ( -3.017 1.517 -1.747) 3.802 3.757 ( -1.258 4.141 -1.965) 4.753 3.873 ( 0.674 0.678 -3.065) 3.211 3.880 ( -1.137 0.285 -1.024) 1.557 3.948 ( -0.964 -4.549 3.437) 5.782 3.987 ( 0.261 -5.215 3.438) 6.252 4.083 ( 1.013 0.076 -1.082) 1.484 4.139 ( -1.607 -3.136 -1.080) 3.685 4.243 ( -1.705 -2.666 -2.967) 4.338 4.350 ( 1.308 -1.167 -1.293) 2.178 4.395 ( 4.049 -1.106 2.040) 4.667 4.631 ( -3.828 -3.553 0.100) 5.224 4.649 ( -1.452 -2.963 0.699) 3.373 4.916 ( -0.511 4.925 -2.777) 5.677 5.150 ( 3.026 3.515 0.779) 4.703 5.325 ( -0.144 -3.221 -1.508) 3.560 5.336 ( 3.800 -3.786 1.986) 5.720 5.475 ( 1.971 -0.561 1.612) 2.608 5.539 ( -0.063 -9.363 3.261) 9.915 5.634 ( -0.381 -4.412 -0.133) 4.430 5.690 ( -3.515 -1.173 2.307) 4.365 5.775 ( -0.120 -2.382 -0.481) 2.433 5.967 ( -2.401 1.858 0.121) 3.038 6.018 ( 0.599 -6.008 10.233) 11.881 6.155 ( -2.576 -0.725 -3.791) 4.641 6.223 ( 3.589 -2.129 5.445) 6.860 6.360 ( 0.711 2.953 -5.925) 6.658 6.519 ( -1.484 -4.748 -7.855) 9.298 6.602 ( -1.018 -0.766 -2.566) 2.865 6.716 ( -2.253 -1.562 0.318) 2.760 6.777 ( -2.557 -2.918 -1.901) 4.320 6.921 ( 1.535 2.780 -0.322) 3.192 7.029 ( 1.197 1.819 3.538) 4.154 7.126 ( -0.317 -1.586 -1.036) 1.920 7.172 ( 1.739 -0.574 0.117) 1.835 7.333 ( 1.875 0.795 -2.133) 2.949 7.351 ( -0.995 0.110 1.799) 2.059 7.472 ( 0.838 3.691 2.355) 4.458 7.549 ( 0.340 0.784 -1.827) 2.017 7.672 ( -0.385 -2.934 1.468) 3.303 7.703 ( 0.202 1.412 1.690) 2.212 7.774 ( 0.571 0.517 -1.056) 1.307 7.795 ( 0.970 1.850 -0.766) 2.225 7.827 ( 1.205 0.160 0.342) 1.263 7.944 ( 1.481 2.230 0.979) 2.850 8.009 ( 2.491 1.924 -0.526) 3.192 8.090 ( -2.644 0.039 0.607) 2.713 8.136 ( -1.968 1.253 -0.027) 2.333 8.193 ( 1.057 -1.818 0.507) 2.164 8.365 ( -0.918 -0.095 1.086) 1.425 8.395 ( 0.996 -1.657 -0.352) 1.965 8.399 ( -0.402 1.543 -0.697) 1.740 8.547 ( -0.528 -2.466 0.083) 2.524 8.716 ( -0.225 3.057 -0.683) 3.141 8.773 ( 0.298 2.828 -1.896) 3.418 8.839 ( -0.456 -0.635 1.105) 1.353 8.934 ( 0.597 -1.544 0.218) 1.670 12.780 ( -2.024 12.676 -1.098) 12.884 12.895 ( -0.338 13.557 0.923) 13.592 13.511 ( 0.396 -11.760 -0.772) 11.792 13.691 ( 1.608 -11.738 0.397) 11.855 16.991 ( -1.974 -0.011 -2.314) 3.042 16.995 ( -1.415 -0.091 -0.817) 1.636 17.021 ( -0.438 -0.779 0.573) 1.062 17.082 ( -1.421 -1.876 -0.776) 2.478 17.247 ( -1.430 1.509 3.630) 4.183 17.272 ( -1.693 1.238 3.729) 4.278 17.366 ( -0.607 0.561 -1.153) 1.418 17.466 ( -1.502 -2.421 -0.867) 2.979 17.501 ( 0.335 -0.898 -4.598) 4.697 17.578 ( -0.478 -3.629 -1.362) 3.906 17.892 ( 1.908 1.970 0.904) 2.888 17.950 ( -2.076 0.325 0.282) 2.121 17.997 ( 0.122 -0.054 -1.294) 1.301 18.026 ( 0.498 -0.454 1.376) 1.532 18.079 ( 1.173 0.485 -0.529) 1.375 18.096 ( 0.040 0.131 1.505) 1.512 18.727 ( -0.339 -2.550 0.376) 2.600 18.774 ( -1.204 -2.834 -0.219) 3.087 18.855 ( 2.044 0.501 0.188) 2.112 18.958 ( -2.957 -2.680 0.448) 4.016 19.223 ( 0.691 -4.849 -3.685) 6.129 19.298 ( -3.373 -7.131 -0.530) 7.907 19.536 ( 4.869 4.461 3.590) 7.516 19.698 ( 1.770 -1.083 1.348) 2.475 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 -8.344 0.000) 8.344 1.623 ( 0.000 -14.040 -0.000) 14.040 1.723 ( 0.000 10.622 0.000) 10.622 1.730 ( -0.000 7.753 0.000) 7.753 1.909 ( -0.000 5.189 0.000) 5.189 1.925 ( 0.000 -2.421 -0.000) 2.421 2.013 ( 0.000 5.564 -0.000) 5.564 2.099 ( -0.000 15.603 0.000) 15.603 2.388 ( -0.000 14.180 -0.000) 14.180 2.397 ( 0.000 3.044 0.000) 3.044 2.474 ( -0.000 -6.340 -0.000) 6.340 2.516 ( -0.000 -1.134 -0.000) 1.134 2.569 ( -0.000 -1.383 0.000) 1.383 2.715 ( -0.000 -4.591 0.000) 4.591 2.923 ( 0.000 -4.575 0.000) 4.575 2.972 ( -0.000 6.325 -0.000) 6.325 3.049 ( -0.000 6.865 -0.000) 6.865 3.072 ( 0.000 -4.513 0.000) 4.513 3.232 ( -0.000 1.934 0.000) 1.934 3.264 ( 0.000 3.271 -0.000) 3.271 3.464 ( 0.000 0.172 -0.000) 0.172 3.500 ( -0.000 3.534 0.000) 3.534 3.543 ( 0.000 1.349 -0.000) 1.349 3.618 ( 0.000 4.220 0.000) 4.220 3.731 ( 0.000 4.090 -0.000) 4.090 3.841 ( -0.000 0.799 0.000) 0.799 3.875 ( 0.000 0.059 0.000) 0.059 3.960 ( 0.000 -1.380 0.000) 1.380 3.992 ( -0.000 -2.342 -0.000) 2.342 4.111 ( 0.000 -6.404 0.000) 6.404 4.131 ( -0.000 -5.889 0.000) 5.889 4.185 ( 0.000 2.980 0.000) 2.980 4.352 ( 0.000 -2.220 0.000) 2.220 4.486 ( 0.000 -2.595 0.000) 2.595 4.562 ( -0.000 -3.208 -0.000) 3.208 4.639 ( 0.000 -2.395 0.000) 2.395 4.897 ( 0.000 4.758 0.000) 4.758 5.186 ( 0.000 3.280 0.000) 3.280 5.309 ( -0.000 -2.308 -0.000) 2.308 5.413 ( 0.000 -3.626 0.000) 3.626 5.493 ( 0.000 -2.520 -0.000) 2.520 5.559 ( -0.000 -10.341 0.000) 10.341 5.633 ( 0.000 -4.192 -0.000) 4.192 5.646 ( -0.000 -2.716 -0.000) 2.716 5.785 ( -0.000 1.374 -0.000) 1.374 5.948 ( 0.000 3.582 0.000) 3.582 6.051 ( -0.000 2.950 0.000) 2.950 6.094 ( 0.000 -4.309 -0.000) 4.309 6.284 ( -0.000 0.360 -0.000) 0.360 6.420 ( -0.000 -6.893 -0.000) 6.893 6.467 ( 0.000 -0.893 0.000) 0.893 6.510 ( -0.000 -5.430 -0.000) 5.430 6.689 ( 0.000 -1.280 0.000) 1.280 6.753 ( -0.000 -2.521 -0.000) 2.521 6.935 ( 0.000 2.463 0.000) 2.463 7.075 ( 0.000 2.111 -0.000) 2.111 7.100 ( 0.000 -1.563 0.000) 1.563 7.195 ( 0.000 -1.439 0.000) 1.439 7.341 ( 0.000 0.311 -0.000) 0.311 7.349 ( -0.000 0.138 0.000) 0.138 7.497 ( 0.000 3.951 0.000) 3.951 7.534 ( -0.000 2.519 -0.000) 2.519 7.671 ( 0.000 -3.754 -0.000) 3.754 7.715 ( -0.000 2.773 -0.000) 2.773 7.767 ( 0.000 1.201 -0.000) 1.201 7.809 ( 0.000 -0.115 0.000) 0.115 7.846 ( -0.000 1.202 0.000) 1.202 7.963 ( 0.000 3.781 -0.000) 3.781 8.043 ( 0.000 2.075 0.000) 2.075 8.061 ( -0.000 -0.456 0.000) 0.456 8.112 ( -0.000 1.453 0.000) 1.453 8.206 ( -0.000 -2.204 -0.000) 2.204 8.369 ( 0.000 -0.059 0.000) 0.059 8.370 ( -0.000 1.306 -0.000) 1.306 8.420 ( 0.000 -1.196 -0.000) 1.196 8.539 ( -0.000 -3.239 0.000) 3.239 8.711 ( 0.000 3.625 0.000) 3.625 8.766 ( -0.000 2.775 0.000) 2.775 8.840 ( -0.000 -0.870 0.000) 0.870 8.942 ( 0.000 -1.960 -0.000) 1.960 12.749 ( 0.000 12.294 0.000) 12.294 12.903 ( 0.000 15.146 0.000) 15.146 13.507 ( 0.000 -12.961 0.000) 12.961 13.712 ( 0.000 -10.592 0.000) 10.592 16.958 ( 0.000 -1.806 0.000) 1.806 16.979 ( 0.000 -0.669 -0.000) 0.669 17.021 ( 0.000 -0.933 0.000) 0.933 17.065 ( 0.000 -3.421 0.000) 3.421 17.257 ( -0.000 0.844 0.000) 0.844 17.287 ( 0.000 0.259 0.000) 0.259 17.347 ( -0.000 1.912 -0.000) 1.912 17.426 ( 0.000 -4.318 -0.000) 4.318 17.488 ( 0.000 0.833 -0.000) 0.833 17.567 ( 0.000 -2.556 0.000) 2.556 17.910 ( -0.000 0.993 0.000) 0.993 17.928 ( 0.000 0.596 -0.000) 0.596 17.995 ( 0.000 0.098 0.000) 0.098 18.041 ( 0.000 -0.969 0.000) 0.969 18.077 ( -0.000 1.078 0.000) 1.078 18.117 ( 0.000 0.957 0.000) 0.957 18.727 ( -0.000 -3.433 0.000) 3.433 18.757 ( 0.000 -2.691 -0.000) 2.691 18.895 ( 0.000 -0.271 0.000) 0.271 18.913 ( -0.000 -0.845 0.000) 0.845 19.218 ( -0.000 -4.244 0.000) 4.244 19.251 ( 0.000 -7.600 0.000) 7.600 19.612 ( 0.000 4.635 0.000) 4.635 19.716 ( -0.000 -0.065 -0.000) 0.065 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 12.213 0.000) 12.213 1.690 ( 0.000 8.283 0.000) 8.283 1.693 ( 0.000 -3.430 0.000) 3.430 1.832 ( 0.000 -2.794 0.000) 2.794 1.980 ( 0.000 -6.269 0.000) 6.269 2.032 ( 0.000 -9.399 0.000) 9.399 2.285 ( 0.000 11.078 0.000) 11.078 2.332 ( 0.000 13.810 0.000) 13.810 2.409 ( 0.000 6.904 0.000) 6.904 2.428 ( 0.000 0.151 0.000) 0.151 2.634 ( 0.000 -3.354 0.000) 3.354 2.646 ( 0.000 3.697 0.000) 3.697 2.716 ( 0.000 7.986 0.000) 7.986 2.791 ( 0.000 -6.080 0.000) 6.080 2.792 ( 0.000 -8.754 0.000) 8.754 2.939 ( 0.000 2.477 0.000) 2.477 2.950 ( 0.000 -3.041 0.000) 3.041 3.002 ( 0.000 -8.816 0.000) 8.816 3.320 ( 0.000 7.593 0.000) 7.593 3.340 ( 0.000 7.708 0.000) 7.708 3.402 ( 0.000 2.282 0.000) 2.282 3.498 ( 0.000 -2.828 0.000) 2.828 3.532 ( 0.000 -4.836 0.000) 4.836 3.573 ( 0.000 8.194 0.000) 8.194 3.630 ( 0.000 -6.658 0.000) 6.658 3.818 ( 0.000 -4.652 0.000) 4.652 3.900 ( 0.000 1.068 0.000) 1.068 3.933 ( 0.000 -2.799 0.000) 2.799 4.050 ( 0.000 1.999 0.000) 1.999 4.080 ( 0.000 -4.588 0.000) 4.588 4.164 ( 0.000 0.584 0.000) 0.584 4.209 ( 0.000 -2.740 0.000) 2.740 4.379 ( 0.000 8.589 0.000) 8.589 4.458 ( 0.000 6.327 0.000) 6.327 4.565 ( 0.000 -8.463 0.000) 8.463 4.588 ( 0.000 -6.668 0.000) 6.668 5.055 ( 0.000 2.461 0.000) 2.461 5.108 ( 0.000 -2.961 0.000) 2.961 5.174 ( 0.000 8.890 0.000) 8.890 5.337 ( 0.000 -3.673 0.000) 3.673 5.368 ( 0.000 -6.016 0.000) 6.016 5.369 ( 0.000 -2.860 0.000) 2.860 5.602 ( 0.000 1.093 0.000) 1.093 5.647 ( 0.000 -3.554 0.000) 3.554 5.715 ( 0.000 1.747 0.000) 1.747 5.785 ( 0.000 -4.400 0.000) 4.400 5.856 ( 0.000 0.002 0.000) 0.002 5.893 ( 0.000 -4.368 0.000) 4.368 6.497 ( 0.000 0.980 0.000) 0.980 6.505 ( 0.000 0.210 0.000) 0.210 6.637 ( 0.000 2.251 0.000) 2.251 6.659 ( 0.000 0.749 0.000) 0.749 6.779 ( 0.000 1.579 0.000) 1.579 6.836 ( 0.000 -3.516 0.000) 3.516 6.984 ( 0.000 4.904 0.000) 4.904 7.036 ( 0.000 2.139 0.000) 2.139 7.084 ( 0.000 -1.922 0.000) 1.922 7.107 ( 0.000 -1.783 0.000) 1.783 7.341 ( 0.000 0.448 0.000) 0.448 7.350 ( 0.000 -0.154 0.000) 0.154 7.431 ( 0.000 2.359 0.000) 2.359 7.484 ( 0.000 -2.916 0.000) 2.916 7.582 ( 0.000 -0.162 0.000) 0.162 7.607 ( 0.000 -2.318 0.000) 2.318 7.771 ( 0.000 3.522 0.000) 3.522 7.831 ( 0.000 -2.046 0.000) 2.046 7.843 ( 0.000 0.477 0.000) 0.477 7.849 ( 0.000 -0.346 0.000) 0.346 8.045 ( 0.000 3.964 0.000) 3.964 8.122 ( 0.000 -3.265 0.000) 3.265 8.163 ( 0.000 0.543 0.000) 0.543 8.172 ( 0.000 -0.303 0.000) 0.303 8.348 ( 0.000 -0.164 0.000) 0.164 8.354 ( 0.000 -0.668 0.000) 0.668 8.493 ( 0.000 2.223 0.000) 2.223 8.529 ( 0.000 -1.275 0.000) 1.275 8.771 ( 0.000 0.573 0.000) 0.573 8.781 ( 0.000 -0.501 0.000) 0.501 8.879 ( 0.000 2.068 0.000) 2.068 8.907 ( 0.000 -0.788 0.000) 0.788 13.084 ( 0.000 14.794 0.000) 14.794 13.123 ( 0.000 7.676 0.000) 7.676 13.295 ( 0.000 -9.134 0.000) 9.134 13.375 ( 0.000 -13.866 0.000) 13.866 17.012 ( 0.000 0.026 0.000) 0.026 17.016 ( 0.000 -0.379 0.000) 0.379 17.222 ( 0.000 5.023 0.000) 5.023 17.270 ( 0.000 4.903 0.000) 4.903 17.316 ( 0.000 -3.152 0.000) 3.152 17.339 ( 0.000 -0.205 0.000) 0.205 17.401 ( 0.000 -0.972 0.000) 0.972 17.413 ( 0.000 -1.777 0.000) 1.777 17.526 ( 0.000 -1.272 0.000) 1.272 17.531 ( 0.000 -1.494 0.000) 1.494 17.801 ( 0.000 4.253 0.000) 4.253 17.877 ( 0.000 -2.964 0.000) 2.964 18.037 ( 0.000 0.002 0.000) 0.002 18.038 ( 0.000 -0.156 0.000) 0.156 18.070 ( 0.000 1.478 0.000) 1.478 18.099 ( 0.000 -1.266 0.000) 1.266 18.748 ( 0.000 0.804 0.000) 0.804 18.775 ( 0.000 -1.509 0.000) 1.509 18.833 ( 0.000 1.952 0.000) 1.952 18.908 ( 0.000 -5.064 0.000) 5.064 19.214 ( 0.000 -0.952 0.000) 0.952 19.251 ( 0.000 -4.360 0.000) 4.360 19.424 ( 0.000 4.748 0.000) 4.748 19.515 ( 0.000 -4.196 0.000) 4.196 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -8.614 3.990 -2.115) 9.726 1.606 ( -7.077 -5.019 4.192) 9.635 1.734 ( 1.783 9.190 6.077) 11.160 1.885 ( 4.207 -1.921 2.026) 5.049 2.070 ( -0.745 1.764 -1.552) 2.464 2.083 ( 1.503 0.005 3.058) 3.407 2.155 ( 0.352 -1.645 -1.352) 2.158 2.222 ( -9.100 -2.019 -3.905) 10.106 2.445 ( 1.853 3.978 -3.772) 5.787 2.488 ( -5.710 5.777 -3.279) 8.760 2.539 ( 1.840 1.625 4.881) 5.463 2.587 ( 2.018 8.609 -6.811) 11.161 2.686 ( -2.011 8.315 2.735) 8.981 2.736 ( -1.551 1.096 -5.064) 5.408 2.892 ( -3.356 -1.724 -6.279) 7.326 2.905 ( -3.232 -7.140 9.809) 12.555 2.940 ( 0.709 -4.368 -2.811) 5.242 2.973 ( 0.433 -6.138 6.396) 8.875 3.276 ( -2.178 6.132 1.794) 6.750 3.379 ( -0.636 -1.346 -4.194) 4.451 3.438 ( 2.593 4.624 2.368) 5.806 3.506 ( 3.288 1.788 -0.900) 3.849 3.572 ( 5.238 0.235 -2.172) 5.675 3.624 ( 4.336 -5.941 -0.832) 7.402 3.706 ( 3.736 3.927 6.136) 8.187 3.848 ( 1.612 -2.516 1.843) 3.511 3.907 ( -0.157 0.554 -0.908) 1.076 3.926 ( 0.687 -1.415 -2.755) 3.172 3.997 ( -4.728 1.075 -0.025) 4.849 4.059 ( -0.186 -5.602 -1.693) 5.855 4.135 ( -1.131 0.073 -2.574) 2.813 4.171 ( -2.474 -2.757 -2.293) 4.357 4.383 ( 0.698 7.267 -0.819) 7.346 4.460 ( -0.377 5.969 0.717) 6.024 4.556 ( -1.038 -8.367 -0.128) 8.432 4.578 ( -1.072 -5.446 0.702) 5.595 5.066 ( 0.709 4.871 -1.091) 5.042 5.153 ( 3.238 -3.647 1.293) 5.045 5.172 ( 1.500 5.159 -0.742) 5.424 5.281 ( -1.791 -5.275 -3.296) 6.472 5.381 ( 0.808 -1.616 2.459) 3.052 5.405 ( 0.534 -3.587 0.927) 3.743 5.612 ( 0.424 2.135 0.359) 2.206 5.672 ( -0.358 -2.525 4.347) 5.040 5.762 ( -0.898 -0.700 0.935) 1.473 5.793 ( 0.350 -3.625 7.327) 8.182 5.910 ( 3.293 -1.320 5.446) 6.500 5.932 ( 2.206 -3.014 5.322) 6.502 6.403 ( -2.957 4.002 -8.727) 10.046 6.478 ( -1.344 -2.776 -7.036) 7.682 6.605 ( -0.438 2.567 -5.227) 5.840 6.639 ( -0.459 -0.239 -2.594) 2.645 6.744 ( -3.408 1.443 0.556) 3.743 6.800 ( -3.290 -3.500 -1.376) 4.997 6.976 ( 0.399 4.263 -0.955) 4.387 7.034 ( -0.515 0.413 1.116) 1.297 7.087 ( 0.413 -0.214 0.617) 0.772 7.125 ( 0.871 -2.003 0.953) 2.383 7.338 ( 0.864 0.473 -1.907) 2.146 7.348 ( -0.547 -0.448 0.603) 0.929 7.474 ( 3.187 2.486 1.281) 4.240 7.517 ( 2.538 -1.796 0.588) 3.164 7.608 ( 0.644 -0.155 3.019) 3.091 7.635 ( 0.804 -2.435 2.598) 3.650 7.786 ( 0.208 1.891 0.844) 2.081 7.810 ( -0.330 -0.792 -1.370) 1.617 7.855 ( 1.655 2.135 -0.188) 2.708 7.886 ( 2.715 -0.808 1.882) 3.400 8.048 ( 0.551 3.776 -0.280) 3.826 8.118 ( -0.296 -2.441 -0.241) 2.471 8.153 ( -1.003 0.036 -0.112) 1.010 8.164 ( -0.447 -0.659 -0.734) 1.083 8.349 ( 0.342 -0.223 -0.046) 0.410 8.355 ( -0.652 -0.696 1.394) 1.689 8.480 ( -1.004 2.353 -0.801) 2.680 8.521 ( -0.858 -1.702 -0.080) 1.908 8.767 ( 0.062 1.424 -0.212) 1.441 8.791 ( 0.952 -0.847 -0.379) 1.330 8.868 ( -0.804 2.090 -0.412) 2.277 8.903 ( -0.147 -1.269 -0.535) 1.385 13.080 ( -1.738 11.857 -1.350) 12.060 13.124 ( 1.287 11.872 1.637) 12.053 13.292 ( -0.473 -10.388 -0.773) 10.427 13.393 ( 1.760 -13.434 1.080) 13.592 17.008 ( -0.239 0.090 -0.248) 0.356 17.014 ( -0.325 -0.450 0.146) 0.574 17.153 ( -6.033 2.682 -3.268) 7.367 17.174 ( -6.086 1.175 -3.628) 7.182 17.287 ( -3.015 0.913 3.152) 4.457 17.307 ( -3.323 -0.463 2.195) 4.010 17.385 ( -0.829 0.411 0.811) 1.230 17.428 ( -0.764 -3.181 1.788) 3.728 17.522 ( 1.793 0.330 -3.681) 4.107 17.539 ( 1.397 -1.532 -2.758) 3.450 17.870 ( 3.938 3.362 2.460) 5.733 17.926 ( 2.991 -2.054 1.378) 3.881 18.027 ( -1.199 0.084 0.037) 1.203 18.027 ( -1.504 0.144 -0.687) 1.660 18.061 ( 0.757 1.046 -0.649) 1.445 18.087 ( -0.116 -1.233 -0.986) 1.583 18.723 ( -1.957 0.339 -0.046) 1.987 18.752 ( -1.833 -2.295 -0.488) 2.977 18.845 ( 0.982 2.014 0.270) 2.257 18.908 ( -0.247 -4.137 0.368) 4.160 19.197 ( -0.577 -0.681 -2.239) 2.411 19.235 ( -1.257 -4.322 -1.097) 4.633 19.489 ( 4.504 4.334 3.291) 7.064 19.569 ( 3.712 -3.514 2.728) 5.794 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -3.844 1.054 -1.348) 4.208 1.460 ( -10.455 -10.926 4.485) 15.773 1.865 ( -1.707 8.829 5.101) 10.338 1.925 ( -4.976 0.888 -0.966) 5.146 1.936 ( -1.555 3.163 -2.126) 4.116 2.008 ( -3.319 -4.427 -4.957) 7.429 2.092 ( 0.254 4.078 -1.756) 4.447 2.261 ( 2.456 -7.890 3.916) 9.144 2.377 ( -0.251 7.089 -1.673) 7.288 2.449 ( 2.896 -0.153 1.686) 3.354 2.583 ( 1.676 8.368 -7.486) 11.352 2.614 ( -2.191 3.298 -4.381) 5.905 2.635 ( -0.313 2.677 -0.432) 2.730 2.719 ( -1.000 7.786 6.025) 9.896 2.789 ( -0.478 -4.545 -1.356) 4.767 2.929 ( 1.986 1.033 1.616) 2.761 2.964 ( 0.039 -2.145 7.682) 7.976 3.070 ( -0.387 -6.571 10.789) 12.638 3.258 ( -0.570 1.377 -2.513) 2.921 3.301 ( -1.536 -2.367 -7.280) 7.808 3.479 ( 1.395 2.032 -0.442) 2.504 3.531 ( -0.336 -3.616 -2.984) 4.700 3.626 ( 4.310 7.551 -1.012) 8.754 3.738 ( 1.582 2.697 -0.244) 3.136 3.796 ( 1.642 1.017 2.727) 3.342 3.852 ( -2.685 -0.778 1.302) 3.084 3.874 ( 1.499 -0.326 -1.123) 1.901 3.922 ( 2.982 2.458 -2.188) 4.441 3.957 ( -1.058 -0.227 1.713) 2.026 4.063 ( -0.171 -3.637 -2.203) 4.256 4.071 ( -2.186 -0.578 -3.131) 3.863 4.114 ( 0.479 -7.535 -1.218) 7.648 4.383 ( 0.507 4.720 -1.307) 4.924 4.454 ( -1.059 4.916 1.361) 5.210 4.523 ( -2.205 -6.436 -0.468) 6.819 4.569 ( -0.854 -4.759 1.023) 4.942 5.048 ( -0.158 7.806 -2.007) 8.061 5.203 ( 1.790 -4.425 -0.523) 4.802 5.229 ( 2.612 0.553 0.114) 2.672 5.284 ( 4.314 -2.090 0.799) 4.860 5.398 ( -0.881 -3.692 0.749) 3.869 5.409 ( -0.417 -4.153 -0.169) 4.177 5.605 ( -1.450 1.134 -0.325) 1.870 5.645 ( -3.677 -2.537 -0.452) 4.490 5.798 ( 0.515 3.688 7.365) 8.253 5.896 ( 0.720 -5.695 10.515) 11.980 6.020 ( 2.164 3.422 6.267) 7.461 6.100 ( 4.958 -4.171 7.711) 10.072 6.254 ( -2.040 4.276 -7.801) 9.127 6.352 ( -1.767 -4.524 -9.184) 10.389 6.501 ( -2.446 3.516 -8.990) 9.958 6.574 ( -2.171 -2.694 -7.196) 7.985 6.698 ( -2.431 0.135 1.181) 2.706 6.723 ( -2.401 -2.179 -0.131) 3.245 6.985 ( 0.797 3.436 -0.244) 3.536 7.045 ( 0.330 -1.714 1.017) 2.020 7.109 ( 0.660 1.284 0.946) 1.726 7.148 ( 0.750 -1.811 0.774) 2.107 7.337 ( 0.558 0.044 -0.979) 1.128 7.343 ( -0.346 -0.555 0.141) 0.669 7.547 ( 2.698 2.892 1.271) 4.155 7.563 ( 1.543 0.545 0.166) 1.645 7.630 ( -1.304 -0.552 1.509) 2.070 7.668 ( 0.575 -3.147 1.630) 3.590 7.787 ( 0.427 0.745 -0.665) 1.086 7.802 ( 0.689 -0.773 -1.217) 1.598 7.911 ( 2.425 5.313 1.884) 6.137 7.968 ( 3.274 -0.251 2.149) 3.925 8.057 ( 0.175 2.401 -0.123) 2.411 8.101 ( -0.655 0.384 -0.692) 1.027 8.132 ( -1.097 -1.857 -0.791) 2.297 8.147 ( -0.661 -1.351 0.656) 1.641 8.359 ( -0.083 -0.177 1.166) 1.182 8.366 ( 1.076 -0.926 0.355) 1.463 8.445 ( -1.525 2.519 -0.922) 3.085 8.496 ( -1.402 -2.541 -0.418) 2.932 8.771 ( 0.420 2.309 -0.260) 2.361 8.805 ( 1.003 -0.741 -0.515) 1.349 8.846 ( -1.099 2.195 -0.280) 2.471 8.895 ( -0.067 -2.322 -0.413) 2.360 13.022 ( -2.083 11.631 -1.538) 11.916 13.178 ( 1.720 14.149 1.913) 14.381 13.262 ( -1.096 -12.317 -1.449) 12.450 13.451 ( 2.172 -12.674 1.620) 12.961 16.993 ( -1.597 0.181 -1.843) 2.445 16.996 ( -2.973 -0.034 -1.414) 3.292 17.015 ( -2.072 0.449 -0.275) 2.138 17.041 ( -3.900 -1.934 -1.598) 4.638 17.273 ( -1.995 0.969 3.671) 4.289 17.286 ( -2.499 -0.095 3.843) 4.585 17.377 ( -0.378 1.176 0.107) 1.240 17.413 ( -1.574 -2.067 -0.367) 2.624 17.516 ( 1.552 0.776 -3.913) 4.281 17.531 ( 0.852 -1.114 -2.374) 2.757 17.928 ( 0.568 1.418 -0.547) 1.622 17.947 ( -1.226 -0.553 -0.493) 1.432 18.003 ( 0.179 0.502 -0.473) 0.712 18.015 ( 0.292 -0.658 0.498) 0.875 18.090 ( 1.398 0.565 0.251) 1.529 18.098 ( 1.470 -0.120 1.252) 1.934 18.692 ( -1.221 -0.395 0.146) 1.291 18.716 ( -1.371 -2.499 -0.194) 2.857 18.869 ( 1.157 1.103 0.295) 1.625 18.904 ( -0.638 -2.379 0.432) 2.500 19.159 ( -0.389 -0.963 -2.519) 2.724 19.187 ( -2.212 -3.608 -1.208) 4.401 19.616 ( 4.405 3.327 3.367) 6.466 19.669 ( 3.194 -1.932 2.363) 4.418 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 -2.879 -0.000) 2.879 1.361 ( -0.000 -8.943 -0.000) 8.943 1.855 ( 0.000 1.469 -0.000) 1.469 1.860 ( -0.000 3.904 0.000) 3.904 1.892 ( 0.000 0.786 0.000) 0.786 1.898 ( -0.000 -2.491 -0.000) 2.491 2.171 ( 0.000 8.275 0.000) 8.275 2.311 ( -0.000 -4.520 -0.000) 4.520 2.383 ( 0.000 7.773 -0.000) 7.773 2.494 ( -0.000 -1.863 0.000) 1.863 2.528 ( 0.000 1.093 0.000) 1.093 2.539 ( -0.000 2.371 -0.000) 2.371 2.653 ( 0.000 6.478 0.000) 6.478 2.732 ( -0.000 9.262 0.000) 9.262 2.787 ( 0.000 -6.074 0.000) 6.074 2.970 ( 0.000 -6.135 0.000) 6.135 3.098 ( -0.000 4.455 -0.000) 4.455 3.134 ( 0.000 1.239 0.000) 1.239 3.180 ( 0.000 -4.668 0.000) 4.668 3.225 ( 0.000 -3.563 -0.000) 3.563 3.484 ( -0.000 0.711 0.000) 0.711 3.497 ( 0.000 -1.878 -0.000) 1.878 3.654 ( 0.000 8.325 0.000) 8.325 3.732 ( 0.000 3.576 0.000) 3.576 3.829 ( -0.000 3.048 -0.000) 3.048 3.841 ( -0.000 0.942 0.000) 0.942 3.928 ( 0.000 -6.109 0.000) 6.109 3.928 ( -0.000 -0.364 -0.000) 0.364 3.952 ( 0.000 4.981 -0.000) 4.981 4.029 ( -0.000 -0.453 -0.000) 0.453 4.032 ( 0.000 -1.807 0.000) 1.807 4.125 ( -0.000 -7.349 -0.000) 7.349 4.383 ( -0.000 3.109 0.000) 3.109 4.470 ( 0.000 -5.332 0.000) 5.332 4.473 ( -0.000 3.004 -0.000) 3.004 4.566 ( 0.000 -4.722 0.000) 4.722 5.037 ( 0.000 8.706 0.000) 8.706 5.216 ( -0.000 -7.638 0.000) 7.638 5.264 ( 0.000 4.716 0.000) 4.716 5.364 ( 0.000 -0.941 0.000) 0.941 5.377 ( -0.000 -6.142 0.000) 6.142 5.396 ( 0.000 -5.197 0.000) 5.197 5.582 ( 0.000 -0.902 0.000) 0.902 5.592 ( -0.000 -1.748 -0.000) 1.748 5.865 ( -0.000 5.218 -0.000) 5.218 5.970 ( 0.000 -4.309 -0.000) 4.309 6.073 ( 0.000 4.688 0.000) 4.688 6.130 ( -0.000 2.232 -0.000) 2.232 6.276 ( -0.000 -1.290 -0.000) 1.290 6.284 ( 0.000 -4.798 0.000) 4.798 6.442 ( 0.000 -1.094 0.000) 1.094 6.444 ( -0.000 -1.549 -0.000) 1.549 6.681 ( 0.000 0.488 0.000) 0.488 6.706 ( 0.000 -1.935 0.000) 1.935 6.992 ( 0.000 3.108 0.000) 3.108 7.054 ( -0.000 -2.882 0.000) 2.882 7.120 ( 0.000 2.285 0.000) 2.285 7.163 ( 0.000 -1.851 0.000) 1.851 7.338 ( -0.000 -0.255 0.000) 0.255 7.340 ( 0.000 -0.501 -0.000) 0.501 7.575 ( 0.000 1.561 -0.000) 1.561 7.582 ( -0.000 3.448 0.000) 3.448 7.619 ( 0.000 -0.737 0.000) 0.737 7.682 ( 0.000 -3.944 0.000) 3.944 7.788 ( 0.000 0.947 0.000) 0.947 7.805 ( 0.000 -0.694 -0.000) 0.694 7.949 ( 0.000 6.906 0.000) 6.906 8.028 ( 0.000 2.959 0.000) 2.959 8.039 ( -0.000 -1.958 -0.000) 1.958 8.101 ( -0.000 2.971 0.000) 2.971 8.105 ( 0.000 -3.436 0.000) 3.436 8.147 ( 0.000 -2.242 0.000) 2.242 8.369 ( 0.000 0.196 0.000) 0.196 8.380 ( 0.000 -0.662 -0.000) 0.662 8.423 ( 0.000 1.954 0.000) 1.954 8.475 ( -0.000 -2.999 0.000) 2.999 8.774 ( 0.000 2.593 0.000) 2.593 8.816 ( 0.000 -1.607 0.000) 1.607 8.829 ( -0.000 3.325 0.000) 3.325 8.893 ( 0.000 -2.865 -0.000) 2.865 12.992 ( 0.000 12.008 0.000) 12.008 13.206 ( 0.000 14.654 -0.000) 14.654 13.241 ( 0.000 -12.872 0.000) 12.872 13.482 ( 0.000 -12.562 0.000) 12.562 16.937 ( 0.000 0.041 0.000) 0.041 16.959 ( 0.000 -1.552 -0.000) 1.552 17.007 ( 0.000 -0.377 -0.000) 0.377 17.012 ( 0.000 -1.248 0.000) 1.248 17.274 ( 0.000 0.791 0.000) 0.791 17.286 ( 0.000 -0.333 0.000) 0.333 17.377 ( -0.000 0.860 -0.000) 0.860 17.385 ( 0.000 -0.449 0.000) 0.449 17.507 ( 0.000 0.956 -0.000) 0.956 17.529 ( 0.000 -1.306 0.000) 1.306 17.920 ( -0.000 0.338 0.000) 0.338 17.929 ( 0.000 -0.376 -0.000) 0.376 18.006 ( 0.000 0.748 0.000) 0.748 18.022 ( 0.000 -0.896 0.000) 0.896 18.106 ( -0.000 1.456 0.000) 1.456 18.125 ( 0.000 -0.266 0.000) 0.266 18.682 ( 0.000 -0.681 0.000) 0.681 18.702 ( 0.000 -2.372 -0.000) 2.372 18.888 ( 0.000 -0.176 0.000) 0.176 18.894 ( -0.000 -0.801 0.000) 0.801 19.148 ( -0.000 -2.350 0.000) 2.350 19.150 ( 0.000 -2.108 -0.000) 2.108 19.682 ( 0.000 2.354 0.000) 2.354 19.711 ( -0.000 -0.658 -0.000) 0.658 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 8.728 0.000 22.332) 23.977 0.549 ( -12.784 0.000 28.821) 31.529 0.720 ( 0.417 0.000 37.099) 37.102 1.703 ( -2.740 0.000 -14.406) 14.664 1.883 ( -5.463 0.000 -2.335) 5.941 1.989 ( -1.667 0.000 2.159) 2.728 2.001 ( 7.187 0.000 -17.938) 19.325 2.098 ( -3.629 0.000 4.714) 5.949 2.208 ( -0.530 0.000 5.602) 5.627 2.246 ( 0.932 0.000 -3.182) 3.316 2.365 ( 0.989 0.000 -1.274) 1.613 2.393 ( -10.772 0.000 -4.890) 11.830 2.646 ( -2.394 0.000 2.698) 3.607 2.650 ( 10.458 0.000 2.587) 10.773 2.697 ( -0.750 0.000 7.137) 7.176 2.886 ( 0.017 0.000 -3.367) 3.367 2.960 ( 2.736 0.000 -9.837) 10.210 3.169 ( 3.768 0.000 5.463) 6.636 3.179 ( 0.193 0.000 -8.769) 8.771 3.241 ( 3.262 0.000 3.407) 4.717 3.285 ( 2.730 0.000 -3.347) 4.320 3.349 ( -2.109 0.000 5.776) 6.148 3.600 ( -3.533 0.000 0.096) 3.534 3.719 ( 0.574 0.000 -2.691) 2.751 3.826 ( 6.704 0.000 -5.157) 8.458 3.882 ( -3.322 0.000 -1.629) 3.700 4.053 ( -2.668 0.000 3.471) 4.378 4.054 ( 3.302 0.000 4.498) 5.580 4.112 ( -0.529 0.000 -2.605) 2.659 4.145 ( -1.152 0.000 -1.184) 1.652 4.305 ( -0.788 0.000 -5.717) 5.771 4.310 ( 1.798 0.000 -2.768) 3.301 4.363 ( -0.261 0.000 2.984) 2.995 4.453 ( -0.499 0.000 1.190) 1.290 4.676 ( -2.291 0.000 1.167) 2.571 4.716 ( -3.355 0.000 0.555) 3.401 4.837 ( 3.046 0.000 7.847) 8.417 4.864 ( -1.122 0.000 5.555) 5.667 5.292 ( -2.149 0.000 -5.970) 6.345 5.429 ( -1.408 0.000 -6.137) 6.296 5.782 ( -2.336 0.000 -0.314) 2.357 5.833 ( -1.648 0.000 1.876) 2.497 5.893 ( 0.903 0.000 -3.711) 3.819 5.894 ( -1.848 0.000 2.057) 2.765 6.073 ( 2.082 0.000 0.870) 2.257 6.082 ( 4.012 0.000 1.417) 4.255 6.173 ( 0.704 0.000 -0.453) 0.837 6.192 ( 5.003 0.000 3.792) 6.278 6.359 ( 2.488 0.000 -1.650) 2.985 6.385 ( -1.881 0.000 3.375) 3.863 6.677 ( 5.144 0.000 -1.870) 5.473 6.687 ( -2.412 0.000 -2.462) 3.447 6.753 ( 1.237 0.000 1.726) 2.123 6.816 ( 1.474 0.000 -1.542) 2.133 7.003 ( 1.043 0.000 2.379) 2.598 7.065 ( 8.437 0.000 0.856) 8.480 7.210 ( -0.542 0.000 0.976) 1.116 7.210 ( 0.731 0.000 0.941) 1.192 7.324 ( -9.895 0.000 0.632) 9.915 7.370 ( 1.991 0.000 -1.744) 2.647 7.387 ( -2.334 0.000 3.222) 3.978 7.454 ( 1.399 0.000 1.551) 2.089 7.504 ( 0.244 0.000 -1.845) 1.861 7.637 ( 1.459 0.000 -0.104) 1.463 7.799 ( -0.993 0.000 0.893) 1.335 7.831 ( 1.013 0.000 -0.731) 1.249 7.836 ( -3.036 0.000 -3.476) 4.615 7.940 ( -4.905 0.000 -1.101) 5.027 8.046 ( -1.909 0.000 3.635) 4.106 8.117 ( -0.026 0.000 -0.470) 0.470 8.120 ( -0.859 0.000 0.159) 0.873 8.139 ( 1.535 0.000 -0.420) 1.591 8.358 ( -3.705 0.000 -2.652) 4.557 8.405 ( 2.125 0.000 -4.060) 4.583 8.530 ( -1.426 0.000 -1.490) 2.063 8.535 ( 3.861 0.000 -0.712) 3.926 8.622 ( 0.828 0.000 3.333) 3.434 8.661 ( -4.256 0.000 0.060) 4.257 8.880 ( 2.806 0.000 2.578) 3.810 8.952 ( -1.819 0.000 -0.035) 1.820 12.209 ( -0.156 0.000 0.037) 0.160 12.217 ( 0.181 0.000 -0.165) 0.245 13.739 ( -1.268 0.000 3.512) 3.734 14.092 ( 5.931 0.000 -5.293) 7.950 16.920 ( 1.776 0.000 2.613) 3.159 17.002 ( 0.607 0.000 2.561) 2.632 17.029 ( -1.159 0.000 2.578) 2.827 17.060 ( -3.943 0.000 2.228) 4.529 17.182 ( -5.729 0.000 -3.453) 6.690 17.214 ( -3.448 0.000 -2.131) 4.054 17.283 ( 2.271 0.000 -3.879) 4.495 17.317 ( 0.191 0.000 -2.819) 2.826 17.608 ( 3.357 0.000 7.840) 8.528 17.863 ( -0.162 0.000 1.971) 1.977 17.970 ( 0.137 0.000 -2.153) 2.158 18.030 ( -1.452 0.000 -0.944) 1.732 18.047 ( 0.332 0.000 0.781) 0.849 18.065 ( 1.114 0.000 0.284) 1.150 18.116 ( 0.575 0.000 0.629) 0.852 18.177 ( -0.177 0.000 -0.294) 0.343 18.669 ( -2.087 0.000 0.627) 2.179 18.748 ( 0.161 0.000 -1.341) 1.351 19.039 ( -1.211 0.000 2.404) 2.691 19.136 ( 11.896 0.000 2.403) 12.136 19.282 ( -2.704 0.000 -2.341) 3.576 19.588 ( -1.963 0.000 -6.804) 7.082 19.624 ( 1.621 0.000 3.433) 3.796 19.826 ( 0.268 0.000 -1.797) 1.817 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 3.298 0.000 25.099) 25.315 0.712 ( 0.395 0.000 23.584) 23.587 1.392 ( -6.315 0.000 -23.901) 24.721 1.432 ( 27.040 0.000 24.792) 36.685 1.816 ( 0.153 0.000 -0.277) 0.316 1.935 ( -3.629 0.000 -2.504) 4.409 2.021 ( -3.058 0.000 0.318) 3.074 2.043 ( 4.246 0.000 -10.853) 11.654 2.076 ( -8.208 0.000 -3.281) 8.840 2.269 ( 4.593 0.000 -2.686) 5.321 2.354 ( 3.049 0.000 7.462) 8.061 2.375 ( 2.317 0.000 -1.410) 2.713 2.600 ( -4.414 0.000 2.978) 5.325 2.743 ( -1.823 0.000 6.955) 7.190 2.836 ( 7.611 0.000 -0.478) 7.626 2.883 ( -0.011 0.000 -0.805) 0.805 2.898 ( 1.575 0.000 -9.299) 9.432 3.116 ( 2.309 0.000 -7.600) 7.943 3.240 ( -3.432 0.000 0.462) 3.463 3.247 ( 0.214 0.000 -5.312) 5.316 3.359 ( 0.735 0.000 6.722) 6.762 3.389 ( 4.428 0.000 2.459) 5.065 3.564 ( 0.085 0.000 -1.291) 1.294 3.647 ( -4.617 0.000 -5.082) 6.866 3.818 ( -0.569 0.000 -1.806) 1.894 3.875 ( -0.568 0.000 -4.381) 4.418 3.980 ( -2.740 0.000 -1.793) 3.274 4.028 ( -1.252 0.000 -0.381) 1.309 4.155 ( -0.357 0.000 5.191) 5.203 4.226 ( 4.911 0.000 3.091) 5.803 4.228 ( -1.141 0.000 -4.476) 4.619 4.282 ( -0.380 0.000 -4.616) 4.632 4.393 ( -0.285 0.000 3.749) 3.760 4.454 ( 0.197 0.000 0.801) 0.825 4.656 ( -1.442 0.000 2.154) 2.592 4.742 ( 0.938 0.000 0.134) 0.947 4.880 ( -1.621 0.000 3.974) 4.292 4.954 ( 1.188 0.000 6.223) 6.335 5.203 ( -1.624 0.000 -3.142) 3.536 5.345 ( -0.324 0.000 -6.398) 6.406 5.688 ( -5.450 0.000 -0.712) 5.496 5.730 ( -7.405 0.000 -0.448) 7.419 5.923 ( 2.960 0.000 0.351) 2.981 5.927 ( 1.184 0.000 0.794) 1.426 6.050 ( -3.646 0.000 -2.083) 4.199 6.111 ( 3.106 0.000 -1.547) 3.470 6.198 ( -0.324 0.000 2.543) 2.563 6.324 ( -4.128 0.000 1.159) 4.288 6.344 ( -3.450 0.000 -1.368) 3.712 6.353 ( 0.945 0.000 7.157) 7.219 6.673 ( 3.572 0.000 -1.257) 3.787 6.746 ( 3.533 0.000 -4.642) 5.834 6.767 ( -9.745 0.000 5.230) 11.060 6.784 ( 1.748 0.000 0.313) 1.776 6.917 ( -4.808 0.000 4.510) 6.592 7.028 ( -1.152 0.000 2.302) 2.574 7.159 ( 0.900 0.000 0.719) 1.152 7.202 ( -2.608 0.000 -0.796) 2.726 7.270 ( -1.203 0.000 0.083) 1.206 7.393 ( -0.278 0.000 0.079) 0.289 7.398 ( -1.134 0.000 1.612) 1.971 7.457 ( -2.169 0.000 3.281) 3.933 7.494 ( 0.583 0.000 -1.691) 1.788 7.664 ( 1.854 0.000 -0.966) 2.091 7.799 ( -0.141 0.000 0.849) 0.861 7.806 ( 1.750 0.000 -2.785) 3.289 7.857 ( 1.927 0.000 0.807) 2.089 7.897 ( -0.261 0.000 -1.318) 1.343 8.021 ( -3.671 0.000 2.235) 4.298 8.099 ( -2.256 0.000 1.787) 2.878 8.152 ( 2.905 0.000 -0.563) 2.959 8.158 ( 0.693 0.000 -0.794) 1.054 8.266 ( -2.478 0.000 -2.698) 3.664 8.407 ( 0.858 0.000 -1.372) 1.618 8.479 ( -1.340 0.000 -2.304) 2.666 8.543 ( -0.772 0.000 -2.530) 2.645 8.636 ( 0.166 0.000 2.329) 2.335 8.673 ( 1.130 0.000 2.891) 3.104 8.903 ( -2.354 0.000 0.512) 2.409 8.953 ( 2.148 0.000 1.626) 2.694 12.208 ( 0.057 0.000 0.010) 0.058 12.223 ( 0.488 0.000 -0.116) 0.502 13.783 ( 1.472 0.000 4.391) 4.631 14.212 ( 9.715 0.000 -14.724) 17.641 17.023 ( -1.596 0.000 3.030) 3.425 17.026 ( 4.852 0.000 4.239) 6.443 17.048 ( -1.058 0.000 3.397) 3.558 17.088 ( 4.755 0.000 3.726) 6.041 17.125 ( 2.339 0.000 -5.240) 5.738 17.195 ( 2.190 0.000 -3.076) 3.776 17.287 ( 1.154 0.000 -3.022) 3.235 17.307 ( 3.257 0.000 -3.240) 4.595 17.736 ( 1.180 0.000 7.896) 7.983 17.867 ( -1.785 0.000 2.811) 3.330 17.904 ( -3.804 0.000 -3.313) 5.044 17.967 ( -3.276 0.000 -2.805) 4.313 18.057 ( 0.023 0.000 0.347) 0.347 18.083 ( 0.978 0.000 0.269) 1.014 18.125 ( -0.907 0.000 1.744) 1.966 18.168 ( -0.260 0.000 -0.764) 0.807 18.677 ( 1.276 0.000 1.587) 2.037 18.746 ( 1.117 0.000 -1.352) 1.753 18.996 ( -5.116 0.000 0.943) 5.202 19.152 ( -7.159 0.000 3.046) 7.780 19.284 ( 2.809 0.000 1.349) 3.116 19.466 ( -2.122 0.000 -7.694) 7.981 19.681 ( 0.196 0.000 1.277) 1.292 19.781 ( -2.319 0.000 -2.296) 3.263 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 2.928 0.000 16.169) 16.432 1.047 ( 7.186 0.000 22.634) 23.747 1.189 ( 7.395 0.000 -11.169) 13.396 1.599 ( -15.371 0.000 5.640) 16.373 1.774 ( -8.214 0.000 2.956) 8.730 1.892 ( -7.979 0.000 0.958) 8.036 1.983 ( 4.064 0.000 -2.608) 4.828 2.054 ( 11.224 0.000 -17.425) 20.727 2.237 ( 17.414 0.000 7.874) 19.111 2.343 ( 5.874 0.000 -3.891) 7.045 2.481 ( -2.240 0.000 2.879) 3.648 2.494 ( 11.906 0.000 7.990) 14.339 2.638 ( 7.002 0.000 6.792) 9.755 2.722 ( -3.077 0.000 -2.113) 3.733 2.831 ( -2.129 0.000 -6.388) 6.734 2.858 ( -3.045 0.000 -5.582) 6.359 2.865 ( -3.277 0.000 4.214) 5.339 3.052 ( -12.060 0.000 -4.174) 12.762 3.085 ( 3.236 0.000 -11.071) 11.534 3.228 ( 2.100 0.000 -0.222) 2.112 3.427 ( 0.031 0.000 8.891) 8.891 3.479 ( -6.985 0.000 -5.494) 8.887 3.533 ( 7.870 0.000 -1.094) 7.946 3.576 ( 1.582 0.000 0.625) 1.701 3.725 ( -5.556 0.000 -3.937) 6.810 3.831 ( 3.659 0.000 -2.087) 4.213 3.970 ( -0.803 0.000 0.814) 1.143 4.029 ( -0.017 0.000 1.848) 1.848 4.157 ( -1.233 0.000 -2.059) 2.400 4.205 ( -0.429 0.000 2.315) 2.355 4.221 ( -2.436 0.000 -1.935) 3.111 4.301 ( 2.079 0.000 -0.867) 2.252 4.422 ( 0.542 0.000 1.059) 1.190 4.500 ( 4.139 0.000 0.808) 4.217 4.658 ( -1.494 0.000 3.094) 3.436 4.707 ( -4.784 0.000 0.453) 4.805 4.895 ( 0.305 0.000 0.884) 0.935 4.973 ( -1.631 0.000 -1.766) 2.404 5.202 ( 0.240 0.000 5.760) 5.765 5.317 ( 1.880 0.000 -1.181) 2.221 5.586 ( -6.680 0.000 0.373) 6.690 5.600 ( -3.219 0.000 -0.230) 3.227 5.923 ( -2.338 0.000 0.666) 2.431 5.969 ( -0.410 0.000 -0.134) 0.432 5.988 ( 1.028 0.000 -0.081) 1.031 6.124 ( -14.481 0.000 4.464) 15.153 6.150 ( 1.974 0.000 -2.105) 2.886 6.204 ( 0.079 0.000 -0.296) 0.307 6.279 ( -0.516 0.000 -0.972) 1.100 6.448 ( 0.707 0.000 2.516) 2.613 6.707 ( 1.967 0.000 -0.346) 1.998 6.763 ( 5.667 0.000 -1.202) 5.793 6.768 ( 0.768 0.000 -3.667) 3.747 6.831 ( 2.334 0.000 0.392) 2.367 6.963 ( 3.014 0.000 1.488) 3.361 6.999 ( -1.516 0.000 -2.454) 2.884 7.132 ( -3.774 0.000 0.552) 3.814 7.176 ( -0.500 0.000 0.509) 0.714 7.242 ( -0.791 0.000 -0.032) 0.791 7.344 ( -2.976 0.000 -1.399) 3.288 7.378 ( -1.923 0.000 1.022) 2.177 7.454 ( -2.227 0.000 4.083) 4.651 7.492 ( 1.048 0.000 -1.433) 1.776 7.682 ( 1.235 0.000 -1.461) 1.913 7.800 ( -0.540 0.000 0.168) 0.566 7.825 ( 2.333 0.000 -0.974) 2.529 7.893 ( 0.679 0.000 -0.361) 0.769 7.918 ( 3.006 0.000 1.781) 3.494 7.973 ( -3.289 0.000 1.684) 3.695 8.078 ( -2.103 0.000 2.367) 3.166 8.115 ( -4.058 0.000 -0.868) 4.150 8.185 ( 1.769 0.000 -2.167) 2.797 8.249 ( 2.151 0.000 -1.212) 2.469 8.399 ( -1.239 0.000 0.527) 1.347 8.459 ( 1.056 0.000 -0.756) 1.299 8.516 ( -0.883 0.000 0.873) 1.241 8.656 ( 0.507 0.000 -0.229) 0.556 8.714 ( 0.414 0.000 1.976) 2.019 8.869 ( -1.258 0.000 -0.860) 1.524 8.984 ( 0.614 0.000 -0.392) 0.728 12.210 ( 0.135 0.000 0.103) 0.169 12.231 ( 0.429 0.000 -0.170) 0.461 13.859 ( 0.547 0.000 5.569) 5.596 14.217 ( 5.845 0.000 -9.175) 10.879 17.031 ( -1.138 0.000 3.100) 3.302 17.058 ( -1.678 0.000 3.591) 3.964 17.134 ( 3.986 0.000 -5.242) 6.585 17.139 ( 3.129 0.000 1.200) 3.351 17.185 ( 1.704 0.000 0.191) 1.715 17.220 ( 3.349 0.000 -2.608) 4.245 17.278 ( 1.162 0.000 -1.535) 1.925 17.399 ( 7.026 0.000 1.322) 7.149 17.777 ( -4.305 0.000 -6.040) 7.417 17.781 ( -1.816 0.000 1.865) 2.604 17.860 ( -2.441 0.000 4.042) 4.722 17.873 ( -3.049 0.000 -1.958) 3.624 18.059 ( -0.023 0.000 0.218) 0.219 18.110 ( 1.358 0.000 0.302) 1.391 18.120 ( -1.545 0.000 2.009) 2.534 18.151 ( -0.544 0.000 -0.893) 1.046 18.737 ( 3.176 0.000 1.449) 3.491 18.767 ( 2.247 0.000 -0.516) 2.305 18.893 ( -4.733 0.000 -0.912) 4.820 19.027 ( -7.291 0.000 -0.060) 7.291 19.347 ( -0.230 0.000 4.851) 4.857 19.393 ( 0.597 0.000 -3.333) 3.386 19.670 ( -1.611 0.000 0.620) 1.727 19.719 ( -1.710 0.000 -1.373) 2.193 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -10.057 0.000 12.444) 16.000 1.202 ( -18.273 0.000 14.621) 23.403 1.439 ( 17.517 0.000 8.455) 19.451 1.526 ( 4.813 0.000 14.426) 15.207 1.704 ( -0.680 0.000 5.956) 5.995 1.861 ( 0.970 0.000 8.499) 8.554 2.075 ( 3.695 0.000 0.369) 3.713 2.099 ( 11.014 0.000 -15.913) 19.352 2.286 ( -8.348 0.000 -9.542) 12.678 2.406 ( -10.453 0.000 -9.921) 14.412 2.422 ( -3.998 0.000 0.553) 4.036 2.498 ( -1.677 0.000 -3.188) 3.602 2.614 ( -9.906 0.000 -7.136) 12.209 2.622 ( -0.419 0.000 -1.301) 1.366 2.766 ( -2.815 0.000 -2.776) 3.954 2.862 ( 7.125 0.000 -0.160) 7.127 2.958 ( 4.149 0.000 4.394) 6.044 3.007 ( 9.699 0.000 8.509) 12.902 3.025 ( 2.540 0.000 -10.638) 10.937 3.268 ( -3.461 0.000 -2.303) 4.157 3.336 ( 0.556 0.000 1.269) 1.385 3.485 ( -6.329 0.000 -3.197) 7.091 3.570 ( 5.699 0.000 7.972) 9.800 3.674 ( 4.613 0.000 0.632) 4.657 3.751 ( 8.858 0.000 0.697) 8.885 3.867 ( 0.791 0.000 -1.634) 1.816 3.936 ( -3.610 0.000 0.102) 3.612 4.043 ( -1.121 0.000 0.807) 1.381 4.125 ( -0.841 0.000 0.183) 0.861 4.183 ( 1.009 0.000 1.086) 1.483 4.222 ( 0.832 0.000 1.709) 1.901 4.298 ( -0.830 0.000 -3.009) 3.122 4.420 ( -0.562 0.000 -1.001) 1.148 4.554 ( -2.437 0.000 -3.177) 4.004 4.637 ( -2.620 0.000 0.179) 2.626 4.662 ( 3.087 0.000 4.936) 5.822 4.889 ( -1.705 0.000 -0.211) 1.718 4.889 ( -2.774 0.000 -5.431) 6.098 5.292 ( 0.021 0.000 10.158) 10.158 5.383 ( 3.337 0.000 3.736) 5.009 5.558 ( 1.733 0.000 4.530) 4.850 5.565 ( 0.320 0.000 -1.201) 1.243 5.868 ( -1.406 0.000 -3.170) 3.467 5.907 ( -7.271 0.000 -2.230) 7.605 6.005 ( 0.561 0.000 3.327) 3.374 6.035 ( 1.445 0.000 4.302) 4.539 6.119 ( -0.498 0.000 -5.176) 5.200 6.230 ( 2.277 0.000 1.411) 2.679 6.306 ( 0.621 0.000 3.300) 3.357 6.411 ( -4.106 0.000 -4.050) 5.767 6.706 ( -2.484 0.000 -1.570) 2.938 6.760 ( 3.756 0.000 -5.101) 6.335 6.771 ( -4.510 0.000 -8.121) 9.289 6.816 ( 1.777 0.000 -1.591) 2.386 6.986 ( -2.960 0.000 0.816) 3.070 7.024 ( 4.858 0.000 -0.228) 4.863 7.089 ( -2.217 0.000 2.288) 3.186 7.168 ( 1.423 0.000 -1.047) 1.766 7.266 ( 1.087 0.000 2.949) 3.143 7.303 ( 0.387 0.000 -1.075) 1.142 7.350 ( -1.963 0.000 0.734) 2.096 7.454 ( -2.060 0.000 3.984) 4.485 7.505 ( 1.390 0.000 -0.840) 1.624 7.681 ( 0.415 0.000 -2.025) 2.067 7.783 ( -0.988 0.000 -0.174) 1.003 7.872 ( 2.672 0.000 0.566) 2.731 7.914 ( 1.519 0.000 0.500) 1.599 7.938 ( -2.322 0.000 1.941) 3.026 7.979 ( -0.517 0.000 1.585) 1.667 8.031 ( -1.502 0.000 -1.059) 1.838 8.077 ( 0.311 0.000 1.157) 1.198 8.172 ( 0.067 0.000 -3.310) 3.311 8.285 ( 1.848 0.000 0.627) 1.951 8.390 ( 0.286 0.000 -0.225) 0.364 8.491 ( 1.530 0.000 1.747) 2.322 8.527 ( -0.109 0.000 2.618) 2.620 8.650 ( -0.192 0.000 -1.265) 1.279 8.717 ( -1.984 0.000 0.945) 2.198 8.844 ( 0.058 0.000 -1.377) 1.379 8.972 ( -0.520 0.000 -2.165) 2.227 12.213 ( -0.005 0.000 0.209) 0.209 12.233 ( 0.046 0.000 -0.272) 0.276 13.887 ( -3.625 0.000 5.142) 6.291 14.291 ( 9.020 0.000 -3.284) 9.599 17.040 ( -1.212 0.000 3.127) 3.354 17.057 ( -1.908 0.000 3.112) 3.650 17.130 ( -2.942 0.000 -3.204) 4.350 17.162 ( 3.702 0.000 -3.593) 5.159 17.172 ( -0.797 0.000 -2.321) 2.454 17.260 ( 2.285 0.000 -0.416) 2.323 17.288 ( 0.616 0.000 -1.368) 1.500 17.493 ( -1.799 0.000 1.190) 2.157 17.689 ( 4.435 0.000 -5.442) 7.020 17.721 ( -3.893 0.000 -2.156) 4.450 17.854 ( -1.775 0.000 2.501) 3.066 17.861 ( 2.533 0.000 0.777) 2.649 18.061 ( -0.036 0.000 0.298) 0.300 18.109 ( -1.543 0.000 1.688) 2.287 18.112 ( -0.872 0.000 -1.021) 1.343 18.152 ( 0.929 0.000 0.416) 1.018 18.793 ( -0.728 0.000 1.546) 1.709 18.812 ( 0.505 0.000 0.513) 0.720 18.839 ( 1.068 0.000 0.193) 1.085 18.913 ( -2.102 0.000 -1.968) 2.879 19.351 ( -3.241 0.000 2.864) 4.325 19.427 ( 4.460 0.000 0.838) 4.538 19.656 ( -0.294 0.000 0.525) 0.601 19.704 ( 0.899 0.000 -0.198) 0.920 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -21.038 0.000 14.312) 25.445 0.929 ( -24.596 0.000 16.798) 29.785 1.519 ( -32.179 0.000 -11.375) 34.130 1.826 ( 5.414 0.000 12.946) 14.033 1.883 ( 11.872 0.000 8.734) 14.739 1.887 ( 2.039 0.000 8.301) 8.548 1.996 ( 0.283 0.000 4.294) 4.303 2.092 ( -2.096 0.000 5.809) 6.175 2.128 ( 7.155 0.000 -15.578) 17.143 2.276 ( -5.155 0.000 -6.428) 8.240 2.279 ( 1.442 0.000 -7.468) 7.606 2.427 ( -4.116 0.000 -0.655) 4.168 2.514 ( 2.522 0.000 2.023) 3.233 2.633 ( -1.260 0.000 0.763) 1.473 2.810 ( 7.722 0.000 -1.319) 7.834 2.910 ( -5.259 0.000 -2.120) 5.670 2.987 ( 8.751 0.000 -9.885) 13.203 3.018 ( 3.040 0.000 -0.013) 3.040 3.176 ( 0.771 0.000 -3.655) 3.735 3.202 ( 1.888 0.000 2.775) 3.356 3.335 ( -4.916 0.000 -2.427) 5.482 3.395 ( -0.050 0.000 2.097) 2.098 3.712 ( -0.835 0.000 0.410) 0.930 3.762 ( 6.723 0.000 4.187) 7.920 3.819 ( -2.729 0.000 -2.431) 3.654 3.842 ( -0.823 0.000 -6.405) 6.457 3.980 ( 9.129 0.000 4.116) 10.014 4.010 ( -1.288 0.000 -0.506) 1.384 4.120 ( -2.080 0.000 3.412) 3.996 4.201 ( -3.639 0.000 -3.667) 5.166 4.269 ( 3.458 0.000 1.260) 3.680 4.280 ( 2.582 0.000 2.409) 3.532 4.397 ( -1.548 0.000 -0.440) 1.609 4.462 ( -2.494 0.000 -1.788) 3.069 4.607 ( 0.883 0.000 0.455) 0.993 4.761 ( 0.622 0.000 -7.423) 7.449 4.844 ( -2.818 0.000 1.229) 3.074 4.863 ( 5.876 0.000 8.545) 10.370 5.373 ( -1.368 0.000 7.224) 7.352 5.484 ( 2.035 0.000 3.835) 4.341 5.589 ( 1.434 0.000 -0.861) 1.672 5.676 ( 3.977 0.000 3.698) 5.431 5.760 ( -1.927 0.000 -6.618) 6.893 5.858 ( 4.801 0.000 -2.008) 5.204 6.041 ( 0.445 0.000 0.241) 0.506 6.051 ( -1.605 0.000 -4.331) 4.619 6.148 ( -1.819 0.000 9.861) 10.027 6.265 ( -1.760 0.000 -3.136) 3.597 6.283 ( 0.769 0.000 -0.688) 1.031 6.336 ( -1.860 0.000 5.762) 6.055 6.606 ( -5.721 0.000 -4.002) 6.982 6.629 ( 0.335 0.000 -7.175) 7.182 6.758 ( 1.493 0.000 -5.235) 5.444 6.810 ( -0.738 0.000 -1.217) 1.424 6.901 ( -5.228 0.000 0.333) 5.239 7.026 ( -2.938 0.000 0.540) 2.987 7.138 ( 3.624 0.000 -0.265) 3.633 7.190 ( 1.265 0.000 -1.216) 1.754 7.314 ( -0.965 0.000 5.507) 5.591 7.326 ( 2.723 0.000 -1.461) 3.090 7.332 ( 0.682 0.000 -1.013) 1.222 7.457 ( -1.744 0.000 3.624) 4.022 7.516 ( 0.575 0.000 -1.030) 1.180 7.657 ( -0.383 0.000 -2.483) 2.513 7.776 ( 0.053 0.000 1.042) 1.044 7.903 ( -0.130 0.000 -0.287) 0.315 7.912 ( -3.640 0.000 -1.278) 3.858 7.943 ( 1.268 0.000 1.175) 1.729 7.969 ( 2.419 0.000 3.748) 4.461 8.060 ( 1.335 0.000 1.965) 2.375 8.110 ( 2.615 0.000 -1.298) 2.919 8.138 ( -0.401 0.000 -2.388) 2.421 8.337 ( 2.068 0.000 2.882) 3.547 8.399 ( 1.744 0.000 -2.122) 2.747 8.536 ( -0.578 0.000 -1.374) 1.491 8.537 ( 1.079 0.000 2.137) 2.394 8.649 ( 0.293 0.000 2.637) 2.653 8.663 ( -3.557 0.000 -0.662) 3.619 8.848 ( 0.744 0.000 0.423) 0.855 8.923 ( -1.783 0.000 -3.317) 3.766 12.214 ( -0.189 0.000 0.252) 0.315 12.228 ( -0.263 0.000 -0.306) 0.404 13.835 ( -6.010 0.000 3.652) 7.033 14.465 ( 11.814 0.000 -3.871) 12.432 17.016 ( -4.966 0.000 -2.837) 5.719 17.041 ( -1.660 0.000 2.141) 2.709 17.060 ( -1.149 0.000 3.687) 3.861 17.102 ( -4.231 0.000 -1.646) 4.540 17.206 ( 3.646 0.000 -0.267) 3.656 17.283 ( 1.263 0.000 -2.682) 2.964 17.288 ( -0.450 0.000 1.955) 2.006 17.413 ( -3.358 0.000 -2.219) 4.025 17.612 ( -4.202 0.000 -3.249) 5.312 17.799 ( 8.166 0.000 -1.162) 8.249 17.847 ( -0.625 0.000 0.591) 0.860 17.946 ( 4.526 0.000 1.042) 4.645 18.061 ( -0.282 0.000 0.258) 0.382 18.080 ( -1.222 0.000 -1.046) 1.608 18.098 ( -1.019 0.000 1.075) 1.481 18.173 ( 0.600 0.000 0.551) 0.815 18.734 ( -4.986 0.000 2.249) 5.470 18.793 ( -1.545 0.000 0.185) 1.556 18.902 ( 1.363 0.000 -4.411) 4.617 18.914 ( 4.270 0.000 1.176) 4.429 19.316 ( -1.838 0.000 1.220) 2.206 19.553 ( 5.848 0.000 2.475) 6.350 19.664 ( 0.518 0.000 0.082) 0.524 19.741 ( 3.207 0.000 -0.534) 3.251 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -31.143 0.000 -0.955) 31.158 0.635 ( -22.518 0.000 22.375) 31.744 0.775 ( -32.092 0.000 17.233) 36.426 1.851 ( -5.997 0.000 -2.770) 6.606 1.957 ( -3.720 0.000 -0.495) 3.753 2.041 ( 4.505 0.000 -0.702) 4.559 2.066 ( 3.296 0.000 -9.885) 10.420 2.075 ( 4.441 0.000 5.488) 7.060 2.097 ( -3.728 0.000 3.294) 4.975 2.269 ( 1.611 0.000 -3.845) 4.169 2.367 ( -0.986 0.000 -0.912) 1.343 2.394 ( 11.149 0.000 6.852) 13.087 2.607 ( 2.769 0.000 3.689) 4.613 2.651 ( -0.428 0.000 5.126) 5.144 2.688 ( -12.092 0.000 -5.701) 13.368 2.881 ( 3.172 0.000 -4.978) 5.903 3.053 ( 3.317 0.000 -10.954) 11.445 3.114 ( 9.150 0.000 -2.745) 9.553 3.142 ( -6.033 0.000 5.107) 7.904 3.201 ( 3.833 0.000 -2.880) 4.794 3.324 ( -0.726 0.000 4.319) 4.380 3.346 ( -3.530 0.000 -4.200) 5.487 3.678 ( -3.703 0.000 1.458) 3.980 3.741 ( -0.444 0.000 -4.216) 4.239 3.794 ( 5.148 0.000 -10.656) 11.834 3.886 ( 3.937 0.000 1.032) 4.070 3.985 ( -1.570 0.000 0.744) 1.737 4.083 ( -2.895 0.000 3.204) 4.318 4.139 ( 2.389 0.000 0.590) 2.461 4.156 ( -0.391 0.000 0.670) 0.776 4.302 ( 1.324 0.000 -2.846) 3.139 4.335 ( 1.183 0.000 -0.903) 1.489 4.355 ( -1.349 0.000 0.263) 1.374 4.436 ( 0.188 0.000 0.455) 0.493 4.674 ( 1.441 0.000 3.388) 3.682 4.731 ( 1.749 0.000 1.241) 2.145 4.826 ( -1.146 0.000 3.539) 3.720 5.006 ( -1.719 0.000 -16.167) 16.258 5.372 ( -2.620 0.000 -1.427) 2.984 5.499 ( -1.391 0.000 -1.557) 2.088 5.589 ( 8.198 0.000 18.060) 19.833 5.768 ( 5.059 0.000 -0.555) 5.089 5.804 ( 2.661 0.000 5.207) 5.848 5.961 ( 0.100 0.000 -2.491) 2.493 5.991 ( 1.384 0.000 4.067) 4.296 6.022 ( -2.383 0.000 5.339) 5.847 6.064 ( -1.974 0.000 -4.003) 4.463 6.217 ( -1.089 0.000 -6.805) 6.892 6.368 ( -1.993 0.000 6.577) 6.873 6.427 ( -5.533 0.000 -1.536) 5.742 6.456 ( 7.047 0.000 14.961) 16.538 6.670 ( 5.134 0.000 1.056) 5.242 6.744 ( 1.854 0.000 1.084) 2.147 6.765 ( -2.890 0.000 -1.143) 3.108 6.832 ( -1.648 0.000 -0.526) 1.730 6.983 ( -0.821 0.000 -0.467) 0.944 7.176 ( 1.605 0.000 -0.737) 1.766 7.187 ( -0.150 0.000 -0.321) 0.355 7.343 ( 1.053 0.000 -0.330) 1.103 7.356 ( 2.126 0.000 -2.031) 2.940 7.356 ( 0.108 0.000 5.047) 5.048 7.457 ( -2.112 0.000 3.031) 3.695 7.514 ( 0.590 0.000 -1.421) 1.538 7.629 ( -0.106 0.000 -1.340) 1.344 7.797 ( 0.131 0.000 1.862) 1.867 7.846 ( -1.502 0.000 -1.873) 2.401 7.888 ( -0.541 0.000 -1.232) 1.346 7.976 ( 1.578 0.000 -0.332) 1.612 8.059 ( 1.551 0.000 3.844) 4.145 8.103 ( 1.401 0.000 1.332) 1.933 8.116 ( 0.251 0.000 -0.631) 0.679 8.131 ( 1.129 0.000 -1.652) 2.001 8.407 ( 2.350 0.000 -4.245) 4.852 8.408 ( 0.810 0.000 2.790) 2.905 8.490 ( 0.363 0.000 -3.714) 3.732 8.568 ( -1.093 0.000 1.665) 1.992 8.592 ( -1.463 0.000 -0.582) 1.575 8.699 ( -0.015 0.000 3.596) 3.596 8.853 ( -1.484 0.000 -2.173) 2.632 8.884 ( 1.647 0.000 3.878) 4.213 12.212 ( -0.259 0.000 0.171) 0.311 12.220 ( -0.195 0.000 -0.246) 0.314 13.763 ( -4.663 0.000 3.096) 5.597 14.495 ( -2.172 0.000 -25.073) 25.167 16.921 ( -2.914 0.000 -0.262) 2.925 17.016 ( -3.536 0.000 0.537) 3.577 17.030 ( -1.564 0.000 2.157) 2.664 17.077 ( -0.441 0.000 1.878) 1.929 17.260 ( -2.589 0.000 -0.666) 2.674 17.282 ( 1.801 0.000 -3.416) 3.862 17.328 ( 4.145 0.000 6.740) 7.913 17.350 ( -0.958 0.000 -2.636) 2.804 17.533 ( -1.416 0.000 -1.901) 2.371 17.842 ( 0.124 0.000 -0.118) 0.171 17.926 ( 5.870 0.000 -0.976) 5.951 18.022 ( 1.923 0.000 1.063) 2.197 18.049 ( -0.970 0.000 -0.346) 1.030 18.054 ( -0.672 0.000 0.028) 0.673 18.098 ( 0.497 0.000 0.203) 0.537 18.183 ( -0.063 0.000 0.268) 0.275 18.707 ( -0.954 0.000 3.993) 4.105 18.766 ( -0.880 0.000 -0.756) 1.160 18.854 ( -0.196 0.000 -0.235) 0.306 19.000 ( 2.731 0.000 2.066) 3.424 19.311 ( -0.100 0.000 0.376) 0.389 19.637 ( 1.643 0.000 -1.347) 2.125 19.658 ( -1.278 0.000 -1.877) 2.271 19.801 ( 3.572 0.000 -1.117) 3.743 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 15.469 12.894 20.415) 28.676 0.671 ( -1.574 19.109 12.104) 22.675 1.072 ( -9.314 26.003 27.199) 38.765 1.626 ( -0.484 -5.621 -12.197) 13.438 1.905 ( -4.654 2.295 -5.423) 7.506 2.010 ( -3.669 1.825 -3.425) 5.340 2.093 ( -3.251 0.245 2.171) 3.917 2.107 ( 3.008 6.687 -7.917) 10.791 2.148 ( 1.051 -2.740 1.046) 3.116 2.322 ( -4.978 3.427 3.776) 7.126 2.385 ( 2.468 8.330 -1.277) 8.781 2.554 ( -4.476 8.575 -4.726) 10.765 2.616 ( -0.501 -1.879 1.697) 2.581 2.684 ( 4.929 3.720 2.764) 6.765 2.724 ( -1.539 1.742 4.920) 5.442 2.884 ( 4.202 0.404 -2.925) 5.136 2.965 ( -0.059 0.775 -5.728) 5.780 3.075 ( 2.141 -4.246 -2.734) 5.485 3.203 ( -0.772 -5.024 2.781) 5.794 3.265 ( 0.267 0.640 -2.803) 2.888 3.289 ( 3.872 2.324 0.268) 4.524 3.352 ( 0.313 1.789 3.673) 4.098 3.619 ( -2.325 1.779 -2.072) 3.586 3.695 ( 3.311 -4.820 -3.601) 6.868 3.791 ( 1.311 -0.820 -3.413) 3.746 3.926 ( -2.154 -1.997 -2.458) 3.830 4.000 ( -1.489 -2.291 2.056) 3.419 4.085 ( 3.774 -0.036 -2.521) 4.538 4.160 ( 0.076 1.921 -0.913) 2.129 4.185 ( -1.466 2.440 -6.125) 6.754 4.271 ( -0.290 -2.516 -0.668) 2.619 4.284 ( -0.388 -1.980 -1.273) 2.385 4.396 ( -2.062 1.247 -0.505) 2.462 4.404 ( 0.245 -3.055 -0.040) 3.065 4.708 ( -2.267 2.741 0.303) 3.570 4.722 ( 0.477 1.082 0.666) 1.357 4.838 ( 1.845 0.527 6.274) 6.561 4.934 ( -1.459 4.402 2.215) 5.140 5.306 ( -1.510 1.047 -3.639) 4.077 5.434 ( -1.104 0.298 -5.123) 5.249 5.653 ( -2.329 -8.897 2.620) 9.563 5.783 ( 0.188 -4.367 0.309) 4.382 5.846 ( 3.485 -1.820 -0.232) 3.939 5.950 ( -1.268 -2.750 -1.049) 3.205 6.001 ( 1.430 -7.623 7.427) 10.738 6.068 ( 5.780 -4.135 6.806) 9.840 6.102 ( 1.348 -2.432 6.110) 6.713 6.219 ( -0.082 2.975 -3.562) 4.642 6.295 ( -4.055 -4.183 -1.255) 5.959 6.392 ( 0.093 0.326 1.398) 1.439 6.577 ( -0.906 -2.606 4.015) 4.872 6.675 ( 2.151 -2.978 -0.038) 3.674 6.744 ( 0.623 1.504 1.046) 1.935 6.823 ( 0.625 -6.250 7.252) 9.593 6.917 ( 4.045 1.368 -3.532) 5.542 6.990 ( 0.394 -1.057 0.461) 1.219 7.118 ( -2.262 -4.918 0.178) 5.416 7.250 ( 0.664 1.150 -0.241) 1.350 7.285 ( -2.014 -4.225 1.630) 4.956 7.311 ( 0.756 -1.301 0.923) 1.765 7.405 ( 1.438 0.096 -0.456) 1.511 7.462 ( -2.574 2.964 2.938) 4.903 7.531 ( 0.689 2.220 -1.685) 2.871 7.676 ( 0.967 3.016 -0.972) 3.313 7.776 ( -0.984 -2.453 1.862) 3.233 7.805 ( -0.395 -1.827 -1.433) 2.356 7.826 ( 0.863 -0.969 -2.124) 2.489 7.928 ( -1.435 0.298 -0.826) 1.683 8.038 ( -1.435 -0.859 2.929) 3.373 8.112 ( 0.248 2.132 0.189) 2.155 8.125 ( 0.134 0.191 0.173) 0.291 8.166 ( 0.948 0.268 -0.307) 1.032 8.358 ( -3.428 -0.030 -2.132) 4.036 8.390 ( 2.288 -1.304 -3.266) 4.196 8.511 ( -2.427 -1.393 -0.999) 2.972 8.541 ( 3.344 0.254 -0.538) 3.396 8.634 ( 0.940 1.743 1.924) 2.761 8.695 ( -3.551 2.331 -1.124) 4.394 8.865 ( 1.795 -1.227 2.651) 3.428 8.914 ( 0.034 -0.767 1.954) 2.100 12.303 ( 0.194 8.054 0.612) 8.080 12.597 ( -0.253 17.633 -17.085) 24.554 13.714 ( -1.066 -2.547 3.226) 4.247 14.027 ( 3.022 -6.192 -4.475) 8.216 16.977 ( 1.733 2.167 0.328) 2.794 17.010 ( 1.026 1.891 -0.154) 2.157 17.057 ( -2.381 1.462 4.031) 4.905 17.079 ( -2.109 1.702 3.186) 4.183 17.199 ( -6.092 1.456 -3.501) 7.175 17.202 ( -2.124 1.191 -2.962) 3.835 17.322 ( 1.391 2.280 -1.537) 3.082 17.367 ( -1.286 3.608 -3.092) 4.923 17.599 ( 4.242 -0.902 7.440) 8.612 17.842 ( -0.736 -2.293 1.840) 3.030 17.939 ( 2.159 -3.596 -1.602) 4.490 17.972 ( 0.329 -4.140 0.592) 4.195 18.034 ( -0.277 -1.073 0.069) 1.110 18.042 ( 1.095 -1.622 -0.287) 1.978 18.084 ( 0.401 -1.188 -0.227) 1.274 18.154 ( -0.228 -1.855 -0.216) 1.881 18.700 ( -0.973 2.209 -0.071) 2.415 18.744 ( 0.628 -0.025 -0.367) 0.728 19.001 ( -1.414 -3.137 2.479) 4.241 19.164 ( 10.151 1.178 0.024) 10.219 19.245 ( -4.607 -2.522 -0.265) 5.259 19.528 ( -1.319 -3.770 0.106) 3.996 19.562 ( -1.034 -3.804 1.483) 4.212 19.791 ( 0.593 -3.644 -1.906) 4.155 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 6.647 16.449 12.240) 21.554 0.997 ( 1.247 20.001 21.937) 29.712 1.425 ( -3.549 3.006 -19.540) 20.085 1.516 ( 21.075 8.092 21.693) 31.308 1.699 ( 1.412 -6.381 -9.812) 11.790 1.936 ( -8.373 -1.607 -1.992) 8.755 2.020 ( -2.225 1.475 0.172) 2.676 2.080 ( -3.406 6.894 -0.178) 7.691 2.238 ( 5.462 -0.937 3.282) 6.441 2.279 ( -1.126 8.775 -1.153) 8.922 2.366 ( 1.186 6.845 -4.395) 8.220 2.488 ( -0.503 5.160 0.751) 5.239 2.622 ( 0.168 1.501 1.439) 2.086 2.731 ( -2.180 -1.791 4.847) 5.609 2.779 ( 1.225 -2.521 3.550) 4.523 2.901 ( 0.449 1.114 -4.610) 4.764 2.958 ( 4.967 5.848 -4.759) 9.028 3.074 ( 2.930 -3.756 -4.966) 6.881 3.155 ( -5.913 -5.738 2.086) 8.499 3.264 ( 1.729 0.024 -5.262) 5.539 3.349 ( 2.857 -1.361 0.449) 3.196 3.426 ( 0.853 2.323 3.694) 4.446 3.575 ( -0.352 2.102 -0.650) 2.228 3.648 ( -4.116 0.101 -3.740) 5.562 3.780 ( 0.333 -4.876 -1.820) 5.215 3.886 ( 1.056 0.513 -3.518) 3.709 3.932 ( -6.066 -1.951 -3.185) 7.124 4.043 ( -0.720 -1.091 -2.069) 2.447 4.171 ( 1.911 0.029 3.683) 4.150 4.184 ( -0.468 -0.908 -0.699) 1.238 4.252 ( 0.833 0.108 0.701) 1.094 4.266 ( -1.444 -1.003 -2.817) 3.321 4.393 ( 0.333 -0.041 1.204) 1.250 4.416 ( 1.271 -3.325 0.072) 3.561 4.683 ( -1.502 2.292 2.092) 3.447 4.740 ( -0.368 -0.160 0.405) 0.571 4.894 ( -1.896 -0.402 3.431) 3.941 4.973 ( 1.790 2.899 4.634) 5.751 5.257 ( -0.589 4.684 -1.094) 4.846 5.369 ( 0.049 2.078 -5.034) 5.446 5.573 ( -5.053 -7.013 -0.107) 8.644 5.765 ( -3.434 -1.446 -1.351) 3.963 5.881 ( 0.318 -1.574 1.386) 2.122 5.926 ( 0.680 -1.996 -1.201) 2.427 5.992 ( -3.808 -4.799 -0.995) 6.207 6.111 ( -2.091 -3.998 3.854) 5.933 6.177 ( -0.797 -2.363 -0.867) 2.640 6.235 ( -2.340 -3.586 4.026) 5.878 6.306 ( 1.589 -2.721 4.486) 5.482 6.361 ( -1.441 -0.225 0.470) 1.532 6.594 ( 1.794 -3.465 1.505) 4.182 6.729 ( 3.772 -2.105 -2.611) 5.048 6.766 ( -0.591 -0.207 2.685) 2.757 6.861 ( -3.185 3.392 -2.963) 5.516 6.870 ( 0.188 -3.678 2.236) 4.309 7.004 ( 0.238 -1.377 -0.749) 1.585 7.099 ( 0.203 -3.279 3.393) 4.723 7.193 ( -2.267 -1.677 -3.090) 4.183 7.319 ( 0.015 -0.171 2.406) 2.412 7.337 ( -0.059 0.484 1.272) 1.362 7.409 ( -0.075 0.209 -1.360) 1.378 7.467 ( -1.286 1.615 3.867) 4.383 7.529 ( 0.844 3.024 -1.841) 3.640 7.683 ( 1.292 1.558 -1.799) 2.708 7.788 ( 1.270 -2.573 -1.107) 3.076 7.796 ( 0.056 0.119 1.162) 1.170 7.846 ( 1.833 -0.399 0.098) 1.878 7.897 ( -0.230 -0.146 -1.509) 1.533 8.023 ( -2.641 -0.926 1.556) 3.202 8.098 ( -1.822 1.058 0.769) 2.243 8.135 ( 0.198 0.221 -0.051) 0.301 8.193 ( 1.311 0.755 0.202) 1.526 8.276 ( -1.596 1.178 -2.728) 3.373 8.404 ( 1.053 -0.093 -0.972) 1.436 8.458 ( -1.345 -1.364 -1.454) 2.405 8.569 ( 0.882 1.263 -2.835) 3.227 8.642 ( -1.481 0.904 1.611) 2.367 8.678 ( 1.103 0.562 2.397) 2.698 8.888 ( -1.236 -1.072 0.957) 1.895 8.950 ( 1.896 -0.361 1.111) 2.227 12.313 ( -0.145 8.658 0.690) 8.687 12.404 ( -4.187 14.791 -4.783) 16.099 13.758 ( 1.590 -2.503 3.956) 4.944 14.102 ( 7.603 -9.661 -10.179) 15.961 17.008 ( -0.387 -0.638 1.229) 1.438 17.016 ( 0.300 -0.379 2.166) 2.219 17.071 ( -1.052 1.405 4.369) 4.708 17.104 ( 1.143 1.093 3.299) 3.659 17.144 ( 2.584 1.816 -3.323) 4.584 17.193 ( 4.273 0.717 -1.518) 4.591 17.325 ( -0.083 2.582 -1.844) 3.174 17.344 ( 2.185 3.171 -2.407) 4.541 17.721 ( 0.597 -1.697 5.721) 5.997 17.830 ( -2.493 -3.578 2.734) 5.147 17.901 ( -2.875 -1.436 -3.492) 4.746 17.948 ( -1.620 -1.311 -2.108) 2.964 18.030 ( 0.223 -2.405 -0.063) 2.417 18.062 ( 0.910 -1.388 0.052) 1.660 18.092 ( -0.413 -2.259 1.451) 2.716 18.142 ( -0.381 -1.875 -1.058) 2.186 18.711 ( 1.670 2.633 0.632) 3.181 18.753 ( 1.205 0.502 -0.811) 1.537 18.965 ( -4.341 -2.621 1.391) 5.258 19.146 ( -6.020 -1.441 0.116) 6.191 19.294 ( 3.456 1.177 2.612) 4.490 19.436 ( -1.576 -2.697 -6.050) 6.809 19.616 ( -0.215 -4.842 2.609) 5.504 19.763 ( -0.961 -2.251 -2.017) 3.172 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 5.841 12.902 8.880) 16.716 1.240 ( 3.910 10.385 6.685) 12.955 1.256 ( 5.918 12.030 4.459) 14.129 1.629 ( -5.740 -0.173 -1.096) 5.846 1.773 ( 2.127 -5.316 -5.180) 7.721 1.849 ( -7.600 5.911 3.647) 10.296 1.919 ( -8.473 1.233 3.166) 9.129 2.186 ( 10.485 -3.254 1.052) 11.028 2.295 ( 7.243 11.542 -6.102) 14.930 2.327 ( 0.206 -1.075 -1.206) 1.629 2.477 ( 3.526 -0.351 3.692) 5.117 2.528 ( 10.053 2.902 7.802) 13.052 2.663 ( 1.287 0.861 0.341) 1.585 2.723 ( -1.168 1.047 0.746) 1.737 2.809 ( 0.615 -0.860 1.573) 1.895 2.861 ( -1.834 -0.033 -2.247) 2.901 2.951 ( -3.329 6.085 -4.263) 8.141 2.991 ( -5.448 -2.619 -3.787) 7.133 3.132 ( 3.003 2.291 -4.740) 6.061 3.214 ( -0.623 -0.541 -2.885) 3.001 3.360 ( -1.605 -8.019 -5.914) 10.092 3.428 ( -2.406 0.088 5.837) 6.314 3.577 ( 2.780 2.008 -1.916) 3.928 3.601 ( 1.445 2.268 3.022) 4.046 3.742 ( -5.307 1.535 -2.677) 6.139 3.805 ( 2.379 -5.101 -0.997) 5.716 3.906 ( 0.535 -0.615 -0.800) 1.142 4.032 ( -2.595 -3.053 0.675) 4.064 4.151 ( 0.163 -1.206 -3.086) 3.318 4.190 ( -1.712 0.239 -2.559) 3.088 4.229 ( 0.363 -0.572 2.247) 2.347 4.276 ( -0.684 -1.507 1.656) 2.341 4.412 ( 1.392 -0.934 -0.521) 1.756 4.478 ( 4.727 -1.785 1.243) 5.203 4.681 ( -1.636 1.697 2.556) 3.477 4.700 ( -4.578 -1.115 0.988) 4.814 4.881 ( -1.269 -0.502 0.759) 1.561 5.023 ( 0.251 3.573 -0.550) 3.624 5.268 ( -0.074 5.591 3.582) 6.640 5.353 ( 1.980 3.238 -1.334) 4.023 5.509 ( -0.823 -4.119 1.009) 4.319 5.646 ( -6.474 1.137 -1.065) 6.659 5.884 ( -2.822 -3.743 0.817) 4.758 5.929 ( 0.833 -2.761 0.293) 2.899 5.947 ( 0.633 -3.649 0.335) 3.719 6.038 ( -10.140 -7.367 4.894) 13.455 6.154 ( 0.035 -1.926 -3.291) 3.813 6.204 ( -1.573 0.377 -0.676) 1.753 6.271 ( -0.387 -0.483 -0.128) 0.632 6.443 ( 1.891 -0.395 1.779) 2.626 6.662 ( 2.027 -4.954 2.328) 5.837 6.739 ( 1.097 -2.419 -5.453) 6.066 6.780 ( 2.643 0.502 -1.711) 3.188 6.829 ( 1.290 0.550 -0.174) 1.413 6.900 ( -0.375 -6.201 2.372) 6.650 6.993 ( 0.949 0.891 -4.271) 4.465 7.118 ( -0.940 -0.308 1.299) 1.633 7.162 ( 1.239 -0.973 0.288) 1.601 7.301 ( -2.491 0.558 -0.697) 2.646 7.328 ( -1.833 3.127 1.165) 3.807 7.388 ( -1.105 0.381 0.013) 1.169 7.482 ( -1.573 2.272 4.719) 5.469 7.527 ( 1.162 3.121 -1.820) 3.795 7.690 ( 1.294 0.949 -1.885) 2.475 7.784 ( 0.422 -1.450 -1.647) 2.234 7.827 ( 1.819 -0.454 0.176) 1.883 7.870 ( 0.382 -0.612 0.706) 1.009 7.915 ( 0.933 -1.775 1.836) 2.719 7.986 ( -1.365 1.157 0.135) 1.795 8.073 ( -1.879 0.067 1.553) 2.439 8.108 ( -2.964 -0.225 -0.318) 2.990 8.192 ( 0.695 0.474 -2.271) 2.422 8.277 ( 2.185 2.169 -0.927) 3.215 8.391 ( -1.494 -0.276 0.648) 1.652 8.453 ( 1.078 -0.556 -0.387) 1.273 8.553 ( -0.210 2.959 0.278) 2.980 8.644 ( 0.081 -1.134 -0.269) 1.168 8.716 ( 0.401 0.229 2.112) 2.162 8.866 ( -1.035 -0.322 -0.745) 1.316 8.979 ( 0.723 -0.545 -0.436) 1.005 12.300 ( -0.795 8.368 -0.228) 8.409 12.350 ( -0.475 10.763 -0.308) 10.778 13.829 ( 0.661 -3.044 4.687) 5.628 14.117 ( 4.976 -9.133 -7.194) 12.647 17.022 ( 0.172 -1.919 1.057) 2.197 17.044 ( 1.091 -2.527 0.778) 2.861 17.081 ( -1.384 0.774 2.546) 2.999 17.125 ( 1.426 -1.311 -1.553) 2.482 17.220 ( 4.071 1.936 1.228) 4.672 17.260 ( 0.508 2.279 -0.130) 2.338 17.307 ( -0.137 2.250 -0.722) 2.367 17.406 ( 6.060 0.674 0.868) 6.158 17.711 ( -2.707 -3.927 -1.615) 5.035 17.774 ( -3.513 -6.159 -3.200) 7.779 17.840 ( -1.521 1.176 1.622) 2.515 17.897 ( -2.333 1.489 -0.029) 2.768 18.036 ( 0.525 -2.014 -0.600) 2.166 18.084 ( 1.190 -2.039 0.393) 2.393 18.092 ( -1.065 -1.785 1.295) 2.449 18.118 ( -0.657 -2.289 -1.458) 2.792 18.766 ( 3.571 1.732 -0.082) 3.969 18.780 ( 2.301 1.277 0.222) 2.641 18.884 ( -4.198 -0.962 -0.201) 4.311 19.022 ( -6.609 -0.726 -0.795) 6.696 19.343 ( 0.564 -1.495 0.383) 1.643 19.411 ( 0.759 2.665 1.354) 3.084 19.602 ( -1.933 -5.453 0.886) 5.853 19.726 ( -1.036 -0.350 -1.360) 1.745 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -12.304 7.403 5.785) 15.481 1.412 ( -13.227 16.822 14.962) 26.111 1.480 ( 16.918 3.972 7.424) 18.898 1.606 ( 6.366 7.094 8.432) 12.726 1.776 ( -0.571 5.010 4.803) 6.963 1.815 ( 3.484 -4.530 2.670) 6.307 1.928 ( 4.281 -2.573 4.183) 6.515 2.237 ( -4.328 -3.297 -3.054) 6.239 2.266 ( -5.396 0.736 -8.056) 9.724 2.354 ( 4.670 1.909 -3.422) 6.096 2.448 ( 1.162 -1.473 -4.359) 4.746 2.491 ( -14.666 0.823 -11.052) 18.383 2.629 ( -3.215 0.843 -1.871) 3.814 2.674 ( -2.833 3.458 -1.666) 4.771 2.768 ( -4.162 4.022 -3.167) 6.597 2.866 ( 2.189 -1.466 -4.845) 5.515 2.973 ( 6.277 -1.717 6.752) 9.377 3.017 ( 5.783 5.645 3.681) 8.881 3.103 ( 2.105 5.351 -6.779) 8.889 3.238 ( -2.941 -3.442 -1.599) 4.802 3.276 ( 5.288 -4.489 1.130) 7.028 3.458 ( -1.975 -0.110 3.002) 3.595 3.631 ( 2.124 3.093 3.841) 5.370 3.659 ( 0.591 0.563 0.907) 1.220 3.751 ( 5.666 -2.096 3.005) 6.748 3.848 ( 4.075 -4.644 -1.484) 6.354 3.898 ( -0.342 2.009 -3.039) 3.659 3.963 ( -2.879 -5.465 2.321) 6.598 4.134 ( 0.302 0.750 -1.919) 2.083 4.165 ( 1.817 -4.189 -2.197) 5.067 4.236 ( -2.704 -4.130 0.358) 4.949 4.263 ( -0.747 2.676 1.165) 3.012 4.435 ( 1.532 0.867 -0.315) 1.789 4.549 ( -2.380 -1.011 -1.649) 3.067 4.646 ( 1.971 -1.501 3.195) 4.043 4.657 ( -2.560 1.354 0.320) 2.913 4.861 ( -1.468 0.547 0.106) 1.570 4.974 ( -2.184 4.750 -4.044) 6.610 5.308 ( -0.008 1.523 6.101) 6.288 5.419 ( 3.106 2.711 3.617) 5.485 5.537 ( -3.729 -1.724 -0.594) 4.151 5.588 ( 5.568 1.675 3.814) 6.954 5.830 ( -1.659 -3.621 -2.152) 4.527 5.880 ( -7.193 -3.158 -1.378) 7.976 5.966 ( 1.086 -4.167 0.791) 4.378 6.002 ( 1.669 -1.667 6.796) 7.193 6.104 ( -0.818 -1.717 -5.465) 5.786 6.195 ( 2.635 -3.746 -0.229) 4.585 6.300 ( 0.074 -0.502 2.462) 2.513 6.410 ( -3.664 -0.308 -3.491) 5.070 6.652 ( -1.910 -4.417 -2.842) 5.589 6.710 ( 0.656 -1.975 -5.400) 5.787 6.821 ( 0.315 1.617 -2.310) 2.837 6.836 ( 1.452 1.030 -0.898) 1.994 6.893 ( -2.389 -6.058 1.557) 6.695 6.986 ( 3.817 -2.386 -2.658) 5.227 7.134 ( -1.468 2.576 2.226) 3.708 7.186 ( 1.887 1.497 -0.822) 2.545 7.259 ( -0.394 -1.226 -0.699) 1.465 7.308 ( -2.058 2.097 2.843) 4.088 7.371 ( -0.253 0.942 -0.529) 1.110 7.499 ( -1.623 3.728 4.451) 6.028 7.541 ( 1.552 2.816 -0.781) 3.309 7.693 ( 0.939 1.561 -1.621) 2.439 7.773 ( -0.267 -0.938 -0.893) 1.323 7.868 ( 2.123 -0.928 0.166) 2.323 7.885 ( 0.692 -2.010 0.358) 2.156 7.909 ( -2.518 -2.204 1.932) 3.864 8.005 ( 0.965 2.511 1.323) 2.998 8.036 ( -2.397 0.297 -0.845) 2.559 8.073 ( 0.483 -0.449 0.578) 0.877 8.180 ( 0.653 0.589 -3.058) 3.182 8.304 ( 1.333 1.707 0.384) 2.199 8.383 ( 0.143 -0.514 -0.037) 0.535 8.474 ( 0.789 -1.114 1.269) 1.864 8.571 ( 0.242 3.306 1.978) 3.861 8.634 ( -0.007 -1.476 -1.049) 1.810 8.725 ( -1.591 0.880 1.594) 2.418 8.843 ( 0.002 -0.150 -1.326) 1.334 8.969 ( -0.424 -0.288 -1.970) 2.036 12.299 ( 0.468 7.991 0.478) 8.019 12.341 ( -0.038 10.023 -0.511) 10.036 13.853 ( -3.103 -3.324 4.216) 6.201 14.179 ( 7.010 -10.312 -2.706) 12.759 17.033 ( -0.579 -1.580 1.831) 2.487 17.055 ( -1.459 -1.477 1.444) 2.528 17.077 ( -0.480 -0.540 0.147) 0.737 17.136 ( 1.004 -1.528 -1.695) 2.493 17.212 ( -1.523 1.377 -2.028) 2.886 17.267 ( -2.219 0.286 -0.709) 2.346 17.304 ( 1.907 1.333 -0.105) 2.330 17.498 ( -1.375 0.536 1.711) 2.260 17.648 ( 3.199 -3.071 -3.676) 5.760 17.743 ( -0.495 -0.956 -1.109) 1.545 17.823 ( 0.357 -1.324 0.794) 1.585 17.876 ( -0.047 1.015 0.626) 1.194 18.032 ( -0.149 -2.667 -1.325) 2.981 18.075 ( -0.581 -1.492 -1.106) 1.946 18.093 ( -1.049 -2.043 0.514) 2.353 18.114 ( 1.048 -2.647 0.394) 2.874 18.820 ( -2.341 0.926 0.528) 2.572 18.825 ( 2.781 -0.150 0.094) 2.787 18.839 ( 0.576 1.586 0.494) 1.759 18.912 ( -1.321 -0.046 -1.791) 2.226 19.367 ( -1.026 0.408 2.403) 2.645 19.429 ( 1.582 1.016 0.773) 2.033 19.592 ( -0.285 -5.365 1.523) 5.584 19.709 ( 0.719 -0.192 -1.043) 1.281 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -17.443 7.007 7.449) 20.220 1.188 ( -21.887 16.234 9.524) 28.866 1.596 ( -27.058 8.616 -6.486) 29.128 1.834 ( 5.679 -4.679 -1.587) 7.527 1.864 ( 5.635 -2.129 12.200) 13.606 1.913 ( 3.293 4.193 8.038) 9.646 1.981 ( 1.212 4.245 6.570) 7.916 2.080 ( 1.549 0.731 5.770) 6.019 2.194 ( -2.435 -0.162 -4.979) 5.545 2.264 ( 7.093 4.681 -5.698) 10.232 2.393 ( 0.856 5.825 -4.813) 7.605 2.406 ( -2.011 -0.175 -2.804) 3.455 2.579 ( 3.451 1.092 -2.391) 4.338 2.673 ( -3.333 6.570 2.225) 7.696 2.721 ( 3.929 -4.394 -0.163) 5.897 2.873 ( 0.899 -3.781 -1.133) 4.049 2.998 ( 0.652 -0.797 -4.635) 4.747 3.070 ( 3.446 3.092 -5.833) 7.447 3.157 ( -3.295 -2.187 -0.679) 4.013 3.177 ( 5.112 0.357 -0.249) 5.131 3.356 ( -2.193 2.878 0.447) 3.646 3.436 ( -1.340 2.246 1.728) 3.135 3.621 ( -1.754 -3.508 -0.297) 3.933 3.760 ( 1.230 -2.371 2.455) 3.628 3.805 ( 2.164 -2.834 -1.456) 3.851 3.882 ( 4.596 1.930 -3.442) 6.058 3.972 ( 0.518 -1.153 2.061) 2.418 4.001 ( 6.845 -0.143 2.996) 7.473 4.095 ( -2.027 -0.622 -2.845) 3.548 4.175 ( 0.058 -4.106 0.543) 4.142 4.218 ( 2.470 -3.861 0.278) 4.592 4.273 ( 0.793 0.578 0.410) 1.063 4.431 ( -3.708 -0.579 -1.159) 3.928 4.461 ( -1.882 1.516 0.615) 2.494 4.629 ( 1.043 1.717 0.152) 2.015 4.745 ( 3.649 -2.187 -1.765) 4.606 4.845 ( -0.943 1.337 2.868) 3.302 4.905 ( -1.001 4.459 0.138) 4.572 5.373 ( -1.458 0.061 5.671) 5.856 5.499 ( 0.355 0.227 4.046) 4.068 5.519 ( 2.344 -4.370 0.660) 5.002 5.702 ( -4.301 -1.304 -4.183) 6.140 5.737 ( 3.972 -0.396 0.919) 4.096 5.851 ( 4.927 -2.035 -1.407) 5.513 5.989 ( 0.670 -3.943 0.227) 4.006 6.020 ( -2.342 -3.535 -4.668) 6.307 6.116 ( -0.473 -2.978 6.678) 7.328 6.213 ( -2.805 -3.637 -3.848) 5.992 6.289 ( 3.904 0.420 2.174) 4.488 6.377 ( -1.899 2.920 5.713) 6.691 6.577 ( 1.119 -3.753 -6.741) 7.797 6.627 ( -4.107 1.208 -4.275) 6.050 6.789 ( -0.718 2.349 -3.708) 4.447 6.830 ( 0.073 0.547 -1.163) 1.287 6.858 ( -2.579 -2.139 0.042) 3.351 7.037 ( 1.546 -3.170 -1.351) 3.776 7.101 ( -1.714 1.711 1.057) 2.642 7.207 ( 0.433 0.649 -0.327) 0.847 7.270 ( 1.845 -2.235 -0.293) 2.913 7.315 ( -1.267 0.160 4.162) 4.354 7.369 ( 1.015 0.729 -1.603) 2.032 7.508 ( -1.633 4.280 3.211) 5.594 7.552 ( 0.179 3.154 -1.051) 3.329 7.690 ( 0.289 2.938 -1.513) 3.317 7.764 ( -0.389 -1.291 0.735) 1.536 7.861 ( -2.065 -2.942 0.009) 3.594 7.882 ( -0.190 -2.668 -1.372) 3.006 7.945 ( 2.293 -1.572 3.049) 4.126 7.981 ( -0.985 1.771 -0.215) 2.038 8.054 ( 1.321 0.763 1.254) 1.975 8.103 ( 2.205 -0.786 -0.912) 2.513 8.161 ( 0.161 1.410 -1.627) 2.159 8.346 ( 1.996 0.644 1.670) 2.681 8.387 ( 1.160 -0.763 -1.490) 2.037 8.505 ( 0.351 -1.775 2.304) 2.929 8.560 ( -0.788 0.652 -2.956) 3.128 8.657 ( 1.113 0.966 3.562) 3.855 8.688 ( -2.771 2.285 -0.269) 3.601 8.846 ( 0.558 -0.216 0.598) 0.846 8.925 ( -1.559 0.190 -3.000) 3.386 12.308 ( -0.316 7.796 -0.041) 7.803 12.367 ( 4.233 12.591 -0.010) 13.283 13.804 ( -5.409 -3.065 2.897) 6.859 14.295 ( 6.552 -14.588 -2.987) 16.269 17.007 ( -2.683 -0.421 -0.996) 2.892 17.037 ( -1.619 -0.209 1.096) 1.966 17.067 ( -1.763 0.451 3.259) 3.733 17.117 ( -2.728 1.151 0.402) 2.988 17.192 ( 2.000 -1.148 -0.204) 2.316 17.245 ( 0.808 -1.880 0.226) 2.059 17.322 ( -0.128 1.849 0.055) 1.854 17.436 ( -2.978 1.948 -1.216) 3.761 17.633 ( -3.850 1.639 -3.277) 5.315 17.775 ( 4.797 -2.250 0.998) 5.391 17.856 ( 2.139 0.225 -0.407) 2.189 17.926 ( 3.925 -2.265 0.452) 4.554 17.999 ( -0.952 -3.909 -2.598) 4.789 18.059 ( -0.084 -2.090 -1.040) 2.336 18.082 ( -0.623 -0.893 0.591) 1.239 18.136 ( 0.717 -2.732 0.589) 2.885 18.762 ( -3.857 1.901 0.539) 4.334 18.792 ( -2.349 -0.175 -0.162) 2.361 18.899 ( 3.379 -1.165 1.300) 3.803 18.949 ( 4.169 2.794 -3.101) 5.900 19.327 ( -2.847 1.164 0.686) 3.151 19.524 ( 4.626 -2.788 2.637) 6.010 19.607 ( -0.414 -4.779 1.424) 5.004 19.727 ( 2.511 -1.648 -1.625) 3.415 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -21.497 8.070 3.627) 23.247 0.731 ( -20.020 15.077 1.913) 25.135 1.151 ( -21.781 25.592 18.192) 38.214 1.766 ( -4.339 -5.552 -6.731) 9.745 1.930 ( -0.526 -2.194 -0.974) 2.457 2.037 ( 3.777 -0.466 3.030) 4.865 2.094 ( 0.314 0.254 8.132) 8.142 2.107 ( -1.153 4.681 -0.299) 4.830 2.219 ( -0.595 5.961 -8.576) 10.460 2.288 ( 3.483 1.847 4.085) 5.677 2.378 ( 1.969 7.170 -2.200) 7.754 2.514 ( 8.351 6.900 0.148) 10.834 2.617 ( 0.906 0.223 0.688) 1.159 2.659 ( -1.279 2.731 7.089) 7.704 2.731 ( -5.948 3.551 -1.705) 7.134 2.854 ( 3.230 -1.987 -4.577) 5.944 3.029 ( 3.176 -2.443 -0.471) 4.034 3.046 ( -3.161 -3.257 -3.742) 5.882 3.129 ( 6.286 -2.221 -1.468) 6.826 3.241 ( 2.303 0.653 -1.734) 2.955 3.307 ( -2.520 3.305 0.895) 4.251 3.380 ( -4.509 0.431 -0.073) 4.530 3.626 ( 1.606 -0.800 0.539) 1.873 3.714 ( 0.255 -3.224 -7.255) 7.944 3.805 ( 1.084 -0.068 -4.134) 4.274 3.967 ( 0.719 -2.511 3.028) 3.999 3.984 ( -2.474 -5.188 -0.189) 5.751 4.047 ( 6.147 6.032 -3.227) 9.197 4.165 ( 5.235 2.262 -0.419) 5.718 4.197 ( -0.138 0.945 -2.711) 2.874 4.222 ( 1.149 -5.547 1.227) 5.796 4.313 ( 0.845 -2.837 0.191) 2.966 4.383 ( -0.411 -3.089 1.816) 3.607 4.445 ( 0.310 3.475 -1.271) 3.713 4.692 ( 2.247 1.254 2.513) 3.597 4.757 ( 0.830 1.250 0.227) 1.518 4.805 ( -4.063 -0.010 -0.254) 4.071 4.971 ( 1.747 -0.503 -2.143) 2.810 5.364 ( -1.763 -1.065 -1.011) 2.294 5.491 ( -1.964 -1.966 0.094) 2.780 5.517 ( 0.419 -2.819 6.204) 6.827 5.732 ( 5.190 -3.223 5.081) 7.946 5.800 ( 1.996 -2.011 -0.673) 2.913 5.921 ( -2.029 -5.070 3.262) 6.361 5.957 ( 0.031 -3.902 -1.403) 4.146 5.988 ( -0.636 -3.227 -0.050) 3.289 6.039 ( -0.014 -0.278 0.807) 0.853 6.280 ( -0.529 1.062 -2.148) 2.454 6.321 ( 2.231 -1.000 2.719) 3.657 6.418 ( -1.678 0.383 2.490) 3.027 6.498 ( -2.738 3.912 2.676) 5.474 6.629 ( 4.811 -4.728 1.079) 6.831 6.740 ( -1.078 2.400 -0.999) 2.815 6.788 ( -3.115 0.275 0.899) 3.254 6.853 ( 3.898 0.239 -3.093) 4.982 7.008 ( -1.260 1.727 -1.529) 2.628 7.108 ( 1.148 -2.713 -0.188) 2.952 7.222 ( 0.996 0.204 0.887) 1.349 7.295 ( 0.827 -3.311 -0.567) 3.459 7.323 ( -1.973 -1.424 2.599) 3.561 7.377 ( 1.378 0.602 -0.484) 1.580 7.495 ( -2.885 3.708 2.478) 5.311 7.538 ( 0.283 2.228 -1.611) 2.764 7.677 ( 0.051 4.069 -1.224) 4.249 7.771 ( -0.518 -2.611 1.876) 3.257 7.826 ( -1.029 -1.800 -0.772) 2.212 7.857 ( -0.459 -2.941 -2.390) 3.817 7.960 ( -1.095 -1.271 -0.191) 1.689 8.019 ( 1.006 -1.414 2.979) 3.448 8.088 ( 1.609 1.927 0.045) 2.511 8.121 ( 0.598 -0.148 -0.356) 0.711 8.160 ( 0.321 0.533 -0.041) 0.623 8.381 ( 2.345 -1.953 -3.602) 4.721 8.408 ( -0.293 0.046 2.021) 2.042 8.501 ( 0.926 0.784 -3.057) 3.289 8.542 ( -0.862 -2.325 2.124) 3.265 8.632 ( -1.518 3.305 -1.408) 3.900 8.722 ( 0.958 1.693 3.170) 3.719 8.846 ( -1.489 -0.636 -1.007) 1.907 8.886 ( 0.290 0.500 1.446) 1.557 12.300 ( -0.239 7.632 -0.016) 7.636 12.519 ( 14.219 17.588 -4.472) 23.054 13.736 ( -4.179 -2.729 2.569) 5.613 14.245 ( -7.421 -16.902 -10.814) 21.394 16.965 ( -0.186 2.226 -1.166) 2.520 17.009 ( -0.995 0.668 -0.405) 1.265 17.067 ( -2.544 1.300 3.331) 4.388 17.081 ( -1.595 1.470 2.568) 3.362 17.257 ( 0.027 0.365 -0.634) 0.732 17.297 ( -1.221 1.552 -0.802) 2.131 17.308 ( 2.582 -0.762 6.100) 6.668 17.391 ( 0.093 2.665 0.611) 2.736 17.530 ( -2.756 -0.167 -3.176) 4.209 17.825 ( 0.829 -1.596 -0.154) 1.805 17.925 ( 3.554 -1.188 -0.930) 3.860 17.930 ( -0.357 -5.374 -1.499) 5.590 18.008 ( 2.340 -1.573 0.134) 2.822 18.047 ( -0.423 -2.252 -0.287) 2.309 18.081 ( 0.335 -0.312 -0.449) 0.641 18.152 ( 0.280 -2.353 0.555) 2.434 18.723 ( -1.206 1.362 1.332) 2.255 18.749 ( -1.540 -0.084 -0.991) 1.833 18.964 ( 2.380 -0.017 1.529) 2.829 19.001 ( 5.248 3.896 -1.584) 6.725 19.298 ( -1.261 -1.198 0.183) 1.749 19.572 ( -4.601 -4.723 1.033) 6.674 19.594 ( 0.403 -4.318 0.120) 4.338 19.769 ( 3.229 -3.304 -1.500) 4.857 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 7.739 17.733 14.235) 24.021 1.155 ( 9.765 25.427 -2.097) 27.319 1.537 ( -2.693 -1.615 -8.260) 8.837 1.620 ( -9.667 25.990 19.089) 33.664 1.944 ( -0.319 0.656 -0.748) 1.044 2.000 ( -2.636 -2.948 -1.576) 4.257 2.092 ( -2.067 -0.542 1.853) 2.829 2.145 ( -2.539 4.589 -2.963) 6.024 2.270 ( 1.488 7.152 -4.961) 8.831 2.397 ( -1.142 0.545 7.600) 7.704 2.548 ( -1.742 8.380 -2.155) 8.827 2.614 ( -2.034 1.207 -0.354) 2.391 2.678 ( -1.519 3.786 -3.346) 5.276 2.749 ( -3.822 -0.197 -3.586) 5.245 2.787 ( 0.728 4.054 2.716) 4.934 2.927 ( 5.481 1.326 0.425) 5.655 2.937 ( -0.130 0.555 -0.340) 0.663 3.065 ( 0.005 -0.315 -0.956) 1.006 3.086 ( 3.610 0.443 0.326) 3.651 3.215 ( -0.021 -3.524 3.045) 4.657 3.327 ( 1.018 -2.514 -6.716) 7.243 3.412 ( 2.389 3.875 -0.291) 4.562 3.582 ( 1.267 -2.312 -1.872) 3.234 3.693 ( -0.007 3.939 -2.614) 4.727 3.798 ( -0.368 0.701 -1.261) 1.489 3.851 ( -0.285 -4.139 -1.475) 4.403 3.974 ( -1.352 -1.124 -1.892) 2.583 3.998 ( 3.063 -5.905 4.389) 7.969 4.130 ( -2.974 -6.400 -2.339) 7.435 4.177 ( -2.262 -1.092 -2.516) 3.556 4.232 ( 3.659 -0.720 -0.212) 3.736 4.266 ( -1.053 0.004 0.605) 1.214 4.340 ( -0.382 -3.077 0.852) 3.216 4.392 ( -0.943 -2.716 -2.298) 3.681 4.729 ( 0.536 -0.824 0.127) 0.992 4.753 ( -1.035 0.753 -0.984) 1.615 4.877 ( -0.381 3.607 2.552) 4.435 4.994 ( 0.085 1.719 1.010) 1.996 5.302 ( 0.100 -2.645 0.952) 2.813 5.433 ( -0.948 -0.166 -0.579) 1.123 5.515 ( -0.830 -4.404 2.127) 4.961 5.664 ( 2.560 -7.218 -1.713) 7.848 5.735 ( -0.532 -8.132 2.756) 8.603 5.834 ( -0.358 -5.011 4.752) 6.915 5.875 ( -0.141 -3.282 0.193) 3.291 5.975 ( 5.663 -5.643 10.245) 12.995 6.089 ( 0.627 -1.992 5.749) 6.117 6.192 ( -2.311 -7.015 0.116) 7.387 6.300 ( -1.113 4.730 -8.244) 9.570 6.382 ( -1.838 -1.034 -5.015) 5.440 6.547 ( 0.311 -1.936 -0.622) 2.057 6.643 ( 0.666 0.563 2.379) 2.534 6.764 ( -0.518 1.050 1.456) 1.868 6.786 ( -1.226 1.653 0.700) 2.174 6.925 ( 3.689 -1.017 -1.916) 4.279 6.957 ( 1.688 -0.854 -1.056) 2.166 7.093 ( -1.632 1.026 -1.679) 2.556 7.189 ( -0.765 -3.125 -0.885) 3.336 7.266 ( 0.470 0.282 0.162) 0.572 7.343 ( 0.780 2.912 2.732) 4.069 7.391 ( 0.613 -1.038 -0.087) 1.209 7.536 ( -2.135 3.147 1.745) 4.184 7.586 ( 1.349 3.311 -0.999) 3.712 7.711 ( 0.042 -2.942 1.825) 3.462 7.726 ( -0.069 -0.714 -2.283) 2.393 7.771 ( 1.054 0.133 0.169) 1.076 7.813 ( 0.055 0.155 -0.742) 0.760 7.935 ( -0.701 0.077 0.061) 0.708 8.007 ( -1.732 -2.063 1.665) 3.167 8.115 ( 1.727 -0.224 -1.490) 2.292 8.165 ( 0.167 1.727 0.224) 1.750 8.178 ( -0.171 0.715 0.953) 1.203 8.355 ( 2.023 -1.083 -2.093) 3.106 8.375 ( -2.236 0.898 -1.601) 2.893 8.476 ( -2.171 -1.724 1.626) 3.215 8.544 ( 2.303 -0.007 -0.589) 2.378 8.684 ( 0.474 2.758 -0.843) 2.922 8.740 ( -2.548 1.964 -1.843) 3.708 8.847 ( 1.038 -0.409 2.571) 2.803 8.911 ( 0.502 0.062 0.785) 0.934 12.518 ( 0.372 12.705 1.460) 12.794 12.823 ( 0.083 7.458 -8.679) 11.443 13.633 ( -0.501 -5.507 2.566) 6.096 13.857 ( 0.812 -10.227 -2.937) 10.671 17.009 ( 0.542 1.610 0.423) 1.751 17.059 ( 1.865 2.458 -0.272) 3.097 17.082 ( -2.684 1.388 3.399) 4.548 17.093 ( -1.214 -0.052 2.509) 2.787 17.250 ( -4.284 2.539 -3.120) 5.877 17.265 ( -4.737 4.564 -2.429) 7.012 17.362 ( 1.524 1.716 1.518) 2.752 17.434 ( -1.733 2.807 -2.108) 3.914 17.576 ( 5.655 -1.000 6.450) 8.636 17.756 ( -2.520 -6.001 2.272) 6.894 17.861 ( -0.592 -6.154 0.017) 6.182 17.882 ( 5.438 -1.675 -4.297) 7.130 18.014 ( 0.088 -0.513 -1.561) 1.646 18.025 ( 1.668 -0.481 -1.504) 2.297 18.065 ( -0.409 -0.767 0.267) 0.909 18.125 ( -0.120 -0.914 -0.484) 1.041 18.742 ( 0.302 1.671 -0.046) 1.699 18.747 ( 0.316 0.367 -0.002) 0.485 18.930 ( -1.523 -3.681 2.017) 4.465 19.114 ( 3.439 -5.013 -2.554) 6.594 19.255 ( 0.406 2.642 2.022) 3.352 19.431 ( -2.692 -6.109 -2.615) 7.170 19.495 ( -0.848 -3.192 4.415) 5.514 19.692 ( 0.963 -5.587 -1.328) 5.823 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 8.712 17.633 7.428) 21.023 1.390 ( 4.236 6.952 2.316) 8.464 1.463 ( 5.720 12.098 -0.624) 13.397 1.658 ( -7.815 5.473 -14.665) 17.495 1.790 ( 7.762 13.777 15.531) 22.165 1.943 ( -5.627 2.868 -3.955) 7.452 2.028 ( -2.955 -0.797 1.063) 3.240 2.157 ( -2.721 2.396 4.884) 6.082 2.324 ( 4.664 6.329 1.816) 8.069 2.440 ( -1.984 7.936 5.912) 10.094 2.482 ( -6.053 1.918 -1.992) 6.655 2.555 ( -2.000 -0.026 1.609) 2.567 2.644 ( 0.176 1.695 -3.745) 4.115 2.658 ( 0.444 -3.126 1.209) 3.381 2.786 ( -3.272 -1.214 1.899) 3.973 2.930 ( 0.967 1.336 -4.052) 4.374 2.990 ( -1.106 -1.979 0.827) 2.413 3.054 ( 1.070 1.624 4.473) 4.877 3.135 ( 4.738 7.230 -4.287) 9.649 3.242 ( 2.902 -1.699 -6.328) 7.166 3.297 ( 0.858 -4.000 -4.972) 6.438 3.453 ( 1.371 0.882 0.208) 1.644 3.626 ( 0.807 0.811 2.516) 2.764 3.679 ( -0.175 3.726 -0.043) 3.730 3.706 ( -4.731 -1.274 -3.235) 5.871 3.852 ( 2.569 -2.429 -3.004) 4.639 3.895 ( -6.282 -1.786 -2.800) 7.106 4.021 ( 0.957 -0.707 -3.417) 3.618 4.112 ( 0.910 -4.560 5.193) 6.970 4.177 ( -0.253 -4.599 3.950) 6.068 4.209 ( -3.549 0.233 -1.497) 3.859 4.267 ( 0.425 -0.406 -1.699) 1.798 4.345 ( 1.514 -2.825 -1.066) 3.378 4.382 ( 1.560 -2.055 -0.907) 2.735 4.718 ( -1.745 -0.139 -0.170) 1.759 4.724 ( -1.720 -1.116 0.606) 2.138 4.884 ( -1.575 0.404 2.546) 3.021 5.038 ( 2.630 2.737 1.653) 4.140 5.338 ( 2.000 0.885 2.359) 3.217 5.415 ( 0.349 2.697 -0.864) 2.853 5.446 ( -4.337 -4.985 -1.047) 6.691 5.699 ( 0.952 -3.133 -0.788) 3.368 5.784 ( 0.528 -9.618 1.037) 9.688 5.837 ( -0.441 -7.722 0.215) 7.738 5.874 ( -3.810 -4.596 6.220) 8.621 6.010 ( -6.763 -0.317 -1.589) 6.954 6.176 ( 0.935 -3.698 7.179) 8.129 6.212 ( -0.005 3.056 -5.771) 6.531 6.247 ( 3.195 -2.895 3.774) 5.729 6.308 ( -1.283 -5.567 -0.054) 5.713 6.538 ( 1.013 -2.505 -2.044) 3.388 6.666 ( 1.552 -5.132 -2.392) 5.871 6.756 ( -1.598 -0.127 1.659) 2.306 6.796 ( 1.029 -0.130 0.248) 1.066 6.890 ( -1.523 -0.687 -3.804) 4.155 7.038 ( 4.255 2.697 -0.421) 5.055 7.060 ( -0.665 0.618 1.638) 1.873 7.153 ( -0.407 -1.738 -2.438) 3.021 7.283 ( 0.055 -1.288 0.999) 1.631 7.393 ( -0.576 -0.631 0.983) 1.302 7.408 ( 2.609 2.899 1.136) 4.062 7.523 ( -1.457 2.760 1.877) 3.642 7.603 ( 1.492 4.464 -1.762) 5.026 7.718 ( 1.375 1.178 -2.432) 3.032 7.728 ( 0.486 -2.242 0.923) 2.473 7.803 ( 0.218 -0.956 -1.465) 1.763 7.821 ( 1.902 -0.555 3.068) 3.652 7.908 ( -1.093 1.364 -1.132) 2.082 7.983 ( -1.402 -2.412 0.580) 2.849 8.129 ( -0.580 1.152 -0.471) 1.373 8.145 ( -0.965 0.525 -0.096) 1.103 8.194 ( 0.124 -0.121 1.309) 1.320 8.316 ( -0.396 2.704 -2.488) 3.696 8.394 ( 2.349 -1.229 0.071) 2.652 8.439 ( -2.445 -0.319 0.202) 2.474 8.572 ( 1.510 -0.749 -1.205) 2.072 8.675 ( -1.846 1.953 -0.288) 2.703 8.704 ( 0.566 2.071 0.353) 2.176 8.870 ( -0.663 -0.651 1.138) 1.469 8.938 ( 1.588 -0.763 0.381) 1.802 12.538 ( -0.519 12.930 1.583) 13.037 12.682 ( -4.350 12.103 -5.365) 13.935 13.675 ( 1.512 -6.058 2.828) 6.855 13.876 ( 3.772 -11.830 -4.627) 13.251 17.001 ( -1.934 -0.042 -0.000) 1.934 17.025 ( -2.608 1.268 -0.093) 2.901 17.089 ( -1.609 0.154 4.686) 4.957 17.121 ( -0.051 0.664 3.460) 3.524 17.197 ( 0.620 3.248 -2.153) 3.946 17.232 ( 3.987 2.756 0.230) 4.852 17.368 ( -1.163 1.668 -0.101) 2.036 17.413 ( 0.346 3.230 -0.787) 3.343 17.656 ( -2.029 -4.890 1.191) 5.427 17.714 ( -4.005 -7.259 0.837) 8.333 17.856 ( 0.942 -1.605 -0.170) 1.869 17.932 ( 2.288 -0.554 -2.216) 3.233 17.991 ( 0.071 -1.161 -1.497) 1.896 18.037 ( 1.178 -1.022 -1.112) 1.916 18.059 ( -0.598 -0.971 1.004) 1.519 18.114 ( -0.303 -0.881 -1.072) 1.421 18.753 ( 0.919 0.528 -0.473) 1.161 18.766 ( 1.734 1.419 0.306) 2.261 18.903 ( -3.071 -3.364 1.459) 4.783 19.085 ( -3.021 -4.166 -1.677) 5.412 19.298 ( -0.371 -2.645 -1.215) 2.934 19.399 ( 3.391 0.867 0.788) 3.588 19.510 ( -2.371 -5.948 2.430) 6.849 19.702 ( 1.523 -3.198 -1.094) 3.707 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.927 4.636 -8.220) 12.324 1.430 ( 3.064 15.529 2.137) 15.972 1.508 ( 5.336 -0.812 -8.032) 9.676 1.656 ( 1.409 17.718 14.563) 22.978 1.782 ( -1.239 2.652 -3.869) 4.851 1.949 ( -6.975 2.171 3.681) 8.181 2.055 ( -5.308 9.584 6.578) 12.779 2.092 ( -2.764 -4.079 3.778) 6.209 2.311 ( -6.413 1.178 1.803) 6.765 2.437 ( -0.081 -1.751 -2.042) 2.691 2.491 ( -0.972 4.252 -4.101) 5.987 2.575 ( 4.235 -0.055 7.081) 8.252 2.648 ( 1.799 -1.097 4.085) 4.596 2.755 ( 1.251 -1.713 0.492) 2.177 2.787 ( 7.562 -0.687 6.550) 10.028 2.884 ( 0.577 4.347 -6.066) 7.485 2.958 ( -3.311 2.232 -0.593) 4.037 3.096 ( 0.171 5.146 -3.784) 6.390 3.176 ( 1.548 1.477 -2.461) 3.261 3.203 ( -1.727 -5.367 -4.919) 7.482 3.247 ( 2.380 3.914 -6.766) 8.170 3.468 ( -0.499 4.530 3.313) 5.634 3.578 ( -0.029 -3.499 -2.750) 4.451 3.640 ( -0.806 1.921 0.978) 2.301 3.712 ( -1.521 -0.954 3.521) 3.952 3.786 ( -1.515 1.909 -0.328) 2.459 3.888 ( 2.071 -1.873 -1.242) 3.056 4.004 ( -0.901 0.358 -3.018) 3.170 4.091 ( -2.946 -1.703 -2.095) 3.996 4.160 ( -1.921 -5.521 1.999) 6.178 4.206 ( -0.723 -1.044 -0.881) 1.546 4.249 ( -0.659 -2.055 3.071) 3.753 4.377 ( 2.810 -2.357 -1.164) 3.848 4.445 ( 5.382 -1.626 0.521) 5.646 4.661 ( -4.069 -2.465 -0.386) 4.773 4.699 ( -1.975 -0.382 1.459) 2.485 4.882 ( -1.587 0.708 3.152) 3.600 5.090 ( 1.995 2.869 -1.346) 3.745 5.352 ( -2.591 0.344 -0.136) 2.617 5.429 ( 2.216 4.103 -1.418) 4.874 5.441 ( 3.887 -2.599 2.617) 5.358 5.657 ( -3.751 1.314 -1.984) 4.442 5.772 ( -1.613 -6.858 0.432) 7.058 5.829 ( -0.912 -8.317 0.206) 8.370 5.853 ( -3.842 -7.938 3.907) 9.646 5.935 ( -1.252 1.576 3.796) 4.297 6.083 ( -3.271 -4.114 -5.101) 7.324 6.181 ( -2.621 -2.613 -3.500) 5.094 6.268 ( 0.860 -0.033 1.415) 1.656 6.439 ( 4.033 -0.213 2.568) 4.786 6.541 ( 0.570 -5.714 0.368) 5.754 6.647 ( 0.319 -7.353 -2.966) 7.935 6.751 ( -0.517 -2.940 1.791) 3.481 6.798 ( -0.696 -1.599 -1.000) 2.011 6.863 ( 1.760 2.091 -0.616) 2.802 7.041 ( -0.287 2.985 -3.276) 4.441 7.118 ( 1.262 -0.151 3.844) 4.049 7.156 ( 3.721 0.671 -2.451) 4.506 7.278 ( -1.379 -0.919 -0.046) 1.657 7.381 ( 0.239 -0.983 -1.963) 2.208 7.437 ( -1.885 5.136 2.209) 5.900 7.524 ( -0.983 1.580 3.624) 4.074 7.604 ( 0.796 4.645 -1.963) 5.105 7.726 ( 1.746 1.253 -1.531) 2.638 7.735 ( 0.304 -1.999 -1.138) 2.320 7.808 ( 1.343 -1.621 -0.278) 2.123 7.873 ( -0.605 -1.398 3.569) 3.881 7.888 ( 0.050 2.101 -0.744) 2.229 7.988 ( 2.227 -0.576 -0.904) 2.472 8.099 ( -1.788 1.570 0.025) 2.380 8.107 ( -3.269 0.439 0.695) 3.371 8.200 ( 0.635 0.193 -1.936) 2.047 8.320 ( 1.859 2.100 -0.512) 2.851 8.395 ( -2.188 0.461 0.402) 2.272 8.435 ( 1.225 -1.200 0.269) 1.736 8.585 ( 1.171 -1.270 -0.629) 1.838 8.645 ( -1.114 2.530 -0.003) 2.765 8.728 ( 0.501 1.140 1.931) 2.298 8.858 ( -0.779 -0.439 -0.507) 1.028 8.962 ( 0.815 -1.088 -0.403) 1.418 12.515 ( -1.679 12.123 -0.165) 12.240 12.611 ( -0.945 14.134 -0.760) 14.186 13.725 ( 0.728 -7.823 2.488) 8.241 13.898 ( 3.075 -11.328 -3.331) 12.201 16.975 ( 0.513 -1.560 -1.389) 2.151 17.009 ( -0.075 -1.160 0.757) 1.387 17.094 ( -2.763 -0.117 4.807) 5.546 17.121 ( -1.316 0.042 1.365) 1.896 17.258 ( 3.588 2.143 2.244) 4.744 17.296 ( -1.252 1.416 0.880) 2.085 17.344 ( -2.554 1.143 1.123) 3.015 17.424 ( 3.720 1.018 0.167) 3.860 17.593 ( -3.470 -9.516 -1.808) 10.289 17.629 ( -1.449 -4.295 -2.761) 5.308 17.867 ( 0.017 1.163 0.114) 1.169 17.924 ( -0.906 1.088 -1.111) 1.800 17.993 ( 0.905 -1.812 -1.243) 2.377 18.049 ( 0.899 -1.342 -0.119) 1.620 18.064 ( -0.019 -1.317 -0.652) 1.470 18.095 ( -0.101 0.495 -1.162) 1.267 18.771 ( 1.490 -0.808 -0.231) 1.710 18.810 ( 2.329 0.358 -0.355) 2.383 18.857 ( -2.213 -1.320 0.727) 2.677 18.995 ( -4.596 -1.918 -1.437) 5.183 19.282 ( 1.124 -4.172 -0.584) 4.360 19.470 ( -2.811 -7.141 1.708) 7.862 19.490 ( 2.185 4.333 2.315) 5.376 19.706 ( 0.429 -1.237 -1.927) 2.329 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -9.173 10.832 -4.442) 14.873 1.552 ( 12.937 -2.870 -0.252) 13.254 1.621 ( 10.774 1.337 -0.617) 10.874 1.770 ( -6.018 14.175 8.905) 17.789 1.863 ( 1.603 14.155 5.073) 15.122 1.916 ( -6.863 1.341 10.404) 12.536 1.935 ( 3.717 2.056 5.883) 7.256 2.119 ( -3.067 -6.178 3.383) 7.683 2.236 ( -3.247 1.888 2.305) 4.407 2.368 ( 0.889 -1.443 -4.333) 4.653 2.448 ( -0.256 1.034 -4.470) 4.595 2.532 ( -8.458 2.535 -9.105) 12.683 2.630 ( -4.944 -2.774 -0.781) 5.723 2.743 ( -3.920 3.028 -1.140) 5.083 2.821 ( -0.095 -2.269 -2.599) 3.451 2.868 ( -0.306 4.090 -2.340) 4.722 3.007 ( 0.508 4.651 -0.255) 4.685 3.088 ( 1.457 -1.805 -1.819) 2.948 3.144 ( 2.087 1.047 -4.795) 5.333 3.226 ( 6.711 0.109 7.088) 9.762 3.239 ( 3.879 6.144 -5.907) 9.364 3.519 ( 0.715 5.635 5.112) 7.642 3.621 ( 2.618 -3.851 1.660) 4.943 3.670 ( -3.568 -2.914 2.658) 5.319 3.690 ( 0.324 0.355 2.069) 2.124 3.815 ( 4.454 2.240 -0.330) 4.996 3.879 ( -0.052 -1.699 1.234) 2.100 4.001 ( 3.178 6.292 -3.014) 7.666 4.033 ( 0.404 -6.278 -1.811) 6.546 4.136 ( -3.048 -5.410 1.158) 6.317 4.144 ( -2.194 -1.457 -2.660) 3.743 4.285 ( 0.239 -1.048 2.145) 2.399 4.424 ( 2.018 -2.178 0.925) 3.110 4.517 ( -2.555 -2.045 -0.948) 3.407 4.603 ( 2.238 -2.620 0.520) 3.485 4.668 ( -1.872 -0.583 -0.092) 1.963 4.892 ( -1.099 2.170 3.998) 4.680 5.073 ( -0.897 4.901 -3.691) 6.201 5.337 ( 0.536 0.697 1.951) 2.139 5.458 ( 0.276 0.151 0.042) 0.317 5.488 ( -1.818 -2.434 -0.683) 3.114 5.626 ( 3.320 1.519 1.397) 3.909 5.734 ( -1.289 -5.760 -0.994) 5.986 5.759 ( -5.396 -8.373 -0.130) 9.962 5.862 ( 1.773 -5.462 0.385) 5.756 5.976 ( -1.344 -2.276 4.534) 5.248 6.069 ( -2.509 -3.091 -7.987) 8.924 6.094 ( 6.550 -2.410 3.916) 8.003 6.278 ( -1.441 -2.138 -3.583) 4.414 6.395 ( -2.686 -0.311 -0.721) 2.799 6.601 ( 0.713 -0.517 0.861) 1.232 6.652 ( 0.849 -4.200 0.114) 4.287 6.756 ( -0.971 -4.892 0.403) 5.003 6.799 ( 2.698 -2.744 0.147) 3.851 6.891 ( 0.554 2.288 0.381) 2.385 6.992 ( -0.926 2.349 -3.332) 4.180 7.161 ( -0.620 -0.171 2.951) 3.020 7.217 ( 3.497 0.593 -1.167) 3.734 7.235 ( -1.080 0.260 -1.885) 2.188 7.367 ( 1.162 -0.296 -3.922) 4.101 7.398 ( -4.549 5.206 3.804) 7.891 7.561 ( 0.501 1.028 4.372) 4.519 7.601 ( 0.887 4.095 -1.710) 4.526 7.726 ( 0.141 -2.351 -1.436) 2.758 7.750 ( 1.135 2.020 0.393) 2.350 7.826 ( 0.514 -2.131 -0.982) 2.402 7.866 ( -2.376 -0.786 1.711) 3.032 7.894 ( 0.856 1.305 -0.023) 1.561 8.027 ( 0.927 -0.089 -0.092) 0.936 8.066 ( -1.107 -0.032 0.440) 1.192 8.069 ( -0.412 2.557 -0.033) 2.590 8.190 ( 1.080 0.206 -3.026) 3.220 8.343 ( 0.293 1.800 0.289) 1.847 8.375 ( 0.155 -0.122 -0.139) 0.242 8.449 ( 0.038 -1.371 0.887) 1.633 8.591 ( -0.164 -2.516 -1.427) 2.897 8.645 ( 0.690 3.617 1.733) 4.070 8.751 ( -0.640 1.631 2.327) 2.913 8.838 ( -0.151 -0.276 -1.099) 1.143 8.959 ( -0.214 -0.783 -1.438) 1.651 12.509 ( 0.605 12.081 0.869) 12.128 12.593 ( 0.072 13.991 -1.138) 14.037 13.745 ( -1.623 -7.884 2.535) 8.439 13.930 ( 3.177 -12.909 -1.668) 13.398 16.986 ( 1.319 -1.825 -0.137) 2.256 17.028 ( 0.015 -1.312 2.345) 2.687 17.082 ( -2.847 -0.013 3.386) 4.424 17.120 ( 0.385 -0.424 0.381) 0.688 17.221 ( -3.306 -0.127 -2.128) 3.934 17.260 ( -4.828 -0.902 -1.112) 5.035 17.336 ( 1.930 1.701 0.835) 2.705 17.507 ( -0.921 -0.948 0.240) 1.344 17.561 ( 4.494 -4.532 1.480) 6.552 17.647 ( 2.357 -5.118 2.645) 6.225 17.857 ( -0.994 2.857 -1.657) 3.449 17.896 ( -0.062 1.003 -0.754) 1.256 17.986 ( 0.713 -1.471 -3.449) 3.816 18.036 ( -0.273 -2.154 -2.841) 3.576 18.070 ( 1.109 -1.185 0.335) 1.657 18.086 ( -0.574 0.926 -0.185) 1.106 18.800 ( -1.332 -1.995 0.273) 2.414 18.804 ( 1.222 -2.144 0.555) 2.529 18.878 ( 0.155 1.198 -0.753) 1.423 18.910 ( 0.273 -0.306 -1.524) 1.578 19.330 ( 2.504 -3.477 2.601) 5.012 19.456 ( -1.069 -7.456 3.190) 8.180 19.491 ( -2.572 3.899 -1.238) 4.832 19.697 ( 0.938 -0.825 -2.294) 2.612 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.313 13.278 -4.208) 16.221 1.500 ( -20.296 15.208 -3.842) 25.651 1.664 ( 0.817 -7.765 0.690) 7.838 1.812 ( 1.039 0.669 1.736) 2.130 1.925 ( -3.272 10.567 7.641) 13.444 1.964 ( -5.164 2.498 5.789) 8.150 2.045 ( 0.489 1.492 1.804) 2.391 2.147 ( 2.352 4.256 8.988) 10.220 2.241 ( -0.199 5.151 -1.734) 5.439 2.328 ( 9.662 1.951 -0.450) 9.867 2.414 ( 4.275 1.728 0.458) 4.634 2.463 ( 1.349 1.036 -0.751) 1.860 2.567 ( 2.674 0.682 -0.145) 2.763 2.734 ( -0.309 3.548 1.993) 4.081 2.781 ( 0.400 -2.362 -1.057) 2.619 2.853 ( 0.714 3.017 -1.931) 3.652 2.952 ( -2.382 2.104 -3.244) 4.542 3.077 ( -1.223 -3.435 -1.415) 3.911 3.104 ( 0.254 -0.451 -7.121) 7.140 3.288 ( 5.303 7.914 -3.870) 10.283 3.378 ( 2.112 -1.970 2.638) 3.911 3.470 ( -9.657 2.738 1.712) 10.183 3.629 ( 2.652 1.025 -0.712) 2.931 3.709 ( 0.836 0.750 1.724) 2.058 3.741 ( 2.167 -3.814 2.099) 4.863 3.885 ( 2.399 0.774 -0.360) 2.546 3.926 ( 1.439 -4.913 -2.382) 5.646 4.001 ( 3.414 0.890 -1.339) 3.773 4.059 ( -2.780 -5.561 1.211) 6.334 4.127 ( 3.474 -1.517 3.720) 5.311 4.130 ( 2.775 -0.367 -1.104) 3.010 4.289 ( -0.083 0.210 -1.384) 1.403 4.399 ( -5.454 -1.860 -0.401) 5.777 4.454 ( -1.611 -2.972 1.492) 3.695 4.654 ( 1.929 0.222 -0.826) 2.110 4.689 ( 4.170 -3.062 0.188) 5.177 4.911 ( -1.490 4.152 3.285) 5.500 5.008 ( -1.962 5.487 -2.000) 6.161 5.364 ( -3.620 -1.735 0.579) 4.056 5.433 ( 1.660 -2.783 4.679) 5.692 5.488 ( 0.194 -1.964 0.878) 2.160 5.620 ( -3.633 -5.969 -4.385) 8.249 5.716 ( 2.018 -2.405 -0.372) 3.162 5.754 ( 2.230 -6.727 1.362) 7.216 5.899 ( -0.670 -5.257 0.417) 5.316 5.939 ( 0.137 -3.779 -5.485) 6.662 6.039 ( 1.845 -4.424 2.069) 5.221 6.131 ( -3.906 -5.247 -7.292) 9.796 6.300 ( 7.346 0.694 7.247) 10.342 6.420 ( -0.007 2.405 6.471) 6.904 6.549 ( -1.614 1.547 -6.383) 6.763 6.646 ( -1.830 0.512 -0.350) 1.932 6.754 ( 0.621 -3.395 -0.474) 3.484 6.845 ( 2.015 0.269 -2.990) 3.616 6.889 ( -2.678 2.341 2.285) 4.228 6.956 ( 0.858 -2.054 -1.771) 2.845 7.155 ( -1.004 1.439 0.345) 1.789 7.187 ( -2.375 -1.668 0.021) 2.902 7.270 ( 2.288 0.931 -0.934) 2.641 7.347 ( 0.498 2.611 -2.261) 3.490 7.371 ( -1.850 1.001 2.425) 3.210 7.595 ( -0.976 4.208 0.878) 4.408 7.609 ( 0.387 1.371 1.146) 1.828 7.705 ( -1.028 -2.811 -0.737) 3.083 7.770 ( 0.274 3.037 0.722) 3.134 7.802 ( -0.851 -3.241 -2.059) 3.933 7.834 ( -1.531 -0.832 0.125) 1.746 7.922 ( 0.983 -0.691 1.216) 1.710 7.999 ( -1.767 0.514 0.158) 1.847 8.074 ( 1.653 -0.166 -0.353) 1.698 8.103 ( 2.218 1.747 -0.065) 2.824 8.183 ( 0.500 0.589 -1.304) 1.516 8.345 ( 0.791 -0.569 -1.628) 1.897 8.392 ( 1.073 1.049 0.970) 1.787 8.464 ( -0.371 -2.125 2.768) 3.509 8.557 ( -0.736 -0.891 -3.075) 3.285 8.688 ( 1.036 2.000 2.486) 3.354 8.744 ( -0.963 3.018 0.174) 3.173 8.839 ( 0.061 -0.413 0.976) 1.062 8.928 ( -0.995 0.023 -2.157) 2.376 12.521 ( -0.547 12.740 -0.026) 12.752 12.632 ( 5.918 12.656 -0.363) 13.976 13.708 ( -4.049 -6.578 1.474) 7.863 13.972 ( 1.832 -16.054 -1.311) 16.212 17.008 ( -0.084 0.614 0.466) 0.776 17.037 ( -0.641 0.230 1.177) 1.360 17.073 ( -1.890 0.013 4.309) 4.706 17.134 ( -2.054 0.219 3.014) 3.654 17.169 ( 1.484 -0.800 -1.469) 2.236 17.217 ( 2.554 -0.814 -0.570) 2.741 17.358 ( 0.250 1.468 0.060) 1.491 17.471 ( -1.516 0.893 -1.318) 2.198 17.653 ( -1.260 -0.520 1.653) 2.143 17.701 ( 0.671 -4.687 3.652) 5.980 17.824 ( 1.007 -1.509 -1.451) 2.323 17.907 ( 2.183 0.824 -3.627) 4.313 17.958 ( 1.457 -0.647 -4.013) 4.318 18.012 ( 0.653 -1.911 -2.366) 3.111 18.073 ( -0.672 -0.281 0.384) 0.823 18.098 ( 1.248 -0.752 0.564) 1.563 18.770 ( -1.600 -1.498 -0.031) 2.192 18.798 ( -2.670 0.738 -0.582) 2.831 18.867 ( 1.956 -1.795 1.072) 2.863 18.972 ( 4.976 -0.656 -2.215) 5.486 19.358 ( -3.357 1.241 -0.013) 3.579 19.452 ( 0.898 -3.463 2.073) 4.135 19.488 ( 0.253 -6.843 3.199) 7.558 19.684 ( 0.563 -2.310 -3.083) 3.893 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -11.192 16.576 -1.134) 20.033 1.132 ( -5.397 22.755 -6.198) 24.194 1.633 ( -8.366 9.989 8.928) 15.795 1.723 ( -9.318 10.669 1.780) 14.277 1.895 ( 1.257 0.436 -2.192) 2.564 1.977 ( 1.800 -5.384 4.351) 7.152 2.084 ( -1.320 0.093 3.662) 3.894 2.217 ( -0.303 -1.243 -1.200) 1.754 2.262 ( 2.536 6.877 3.037) 7.934 2.409 ( -2.854 6.342 -0.200) 6.957 2.553 ( 4.520 6.253 1.411) 7.843 2.596 ( 7.415 1.625 2.856) 8.110 2.666 ( 4.736 6.293 -1.156) 7.960 2.773 ( 0.671 -1.911 -1.851) 2.743 2.782 ( 2.468 5.186 2.994) 6.477 2.839 ( -3.703 3.491 0.479) 5.112 2.940 ( 3.971 -2.243 3.440) 5.712 3.002 ( -3.762 -2.349 -1.671) 4.739 3.066 ( 5.180 -2.645 -8.154) 10.016 3.277 ( -5.860 1.353 -1.684) 6.246 3.357 ( 0.755 1.027 -0.763) 1.485 3.395 ( -0.427 0.855 -1.124) 1.475 3.623 ( -0.965 2.517 -3.904) 4.744 3.719 ( -0.344 2.920 -1.128) 3.149 3.780 ( 2.652 -2.985 -1.532) 4.277 3.881 ( -0.580 -4.946 -2.402) 5.529 3.906 ( 0.671 -2.779 1.794) 3.375 4.042 ( -1.165 -5.236 -1.050) 5.466 4.129 ( 7.648 -0.421 0.131) 7.660 4.149 ( -0.404 -5.487 0.627) 5.537 4.225 ( 2.257 1.151 1.525) 2.957 4.259 ( -1.339 -1.005 -1.096) 2.001 4.338 ( -1.310 -1.595 1.725) 2.690 4.432 ( -0.935 -3.909 -0.654) 4.072 4.703 ( 2.468 -0.485 0.170) 2.521 4.751 ( 1.992 -1.271 -0.127) 2.366 4.882 ( -2.427 5.807 0.687) 6.331 4.992 ( 0.006 1.958 0.838) 2.130 5.307 ( -1.674 -4.459 0.333) 4.775 5.443 ( -2.833 -1.934 2.451) 4.216 5.492 ( -0.417 -1.196 -1.623) 2.059 5.643 ( 4.400 -5.197 4.410) 8.113 5.732 ( 1.521 -4.242 -0.667) 4.556 5.776 ( -1.600 -8.495 0.289) 8.649 5.855 ( 0.232 -4.982 -0.346) 5.000 5.924 ( -3.135 -3.393 -0.633) 4.663 6.009 ( 1.465 -3.312 2.498) 4.399 6.168 ( 3.549 -7.888 1.865) 8.848 6.408 ( -0.594 5.104 -5.645) 7.633 6.464 ( -1.695 2.847 -0.691) 3.385 6.501 ( 2.816 -2.266 2.244) 4.255 6.609 ( -0.863 3.126 2.245) 3.944 6.759 ( 0.088 -0.819 0.088) 0.829 6.830 ( -3.462 3.917 0.352) 5.239 6.853 ( 2.781 0.693 -1.795) 3.381 6.968 ( 1.262 -3.581 -2.425) 4.505 7.127 ( -1.169 1.477 -0.935) 2.103 7.181 ( 0.916 -2.197 0.778) 2.504 7.277 ( -0.527 0.199 -0.734) 0.925 7.336 ( -1.087 2.851 0.798) 3.153 7.375 ( 0.654 -0.426 0.466) 0.909 7.572 ( -2.921 3.612 1.650) 4.930 7.592 ( -0.923 2.229 -1.256) 2.720 7.695 ( -0.279 -4.060 1.208) 4.245 7.762 ( -0.938 -0.486 -2.095) 2.347 7.771 ( -0.326 0.184 -0.592) 0.700 7.819 ( -0.163 0.031 -0.388) 0.422 7.934 ( -0.605 -1.546 1.598) 2.305 8.004 ( 0.620 -0.725 0.986) 1.372 8.101 ( 1.775 -0.307 -1.323) 2.235 8.135 ( 1.950 1.586 -0.620) 2.589 8.182 ( -0.661 1.207 1.225) 1.842 8.344 ( 1.780 -1.380 -3.093) 3.826 8.416 ( -0.796 0.450 1.284) 1.576 8.482 ( -1.146 -2.373 3.100) 4.069 8.522 ( 0.959 0.362 -2.707) 2.894 8.696 ( -0.288 2.613 -1.442) 2.999 8.763 ( 1.150 2.481 1.895) 3.327 8.832 ( -1.664 -0.675 0.077) 1.797 8.901 ( -0.106 0.786 0.007) 0.794 12.508 ( -0.309 12.544 0.132) 12.549 12.776 ( 9.559 9.299 -3.106) 13.693 13.649 ( -3.228 -5.913 1.521) 6.906 13.932 ( -3.560 -14.304 -3.093) 15.061 16.999 ( 0.665 1.706 -1.537) 2.391 17.038 ( 1.116 2.066 -1.594) 2.838 17.083 ( -2.086 0.400 4.875) 5.318 17.104 ( -3.021 0.283 3.168) 4.387 17.279 ( 4.513 0.721 3.019) 5.477 17.308 ( 4.171 1.223 4.208) 6.050 17.340 ( -2.609 2.418 0.100) 3.558 17.438 ( 0.090 1.524 0.296) 1.555 17.541 ( -5.310 1.688 -4.891) 7.414 17.755 ( -0.575 -5.575 4.066) 6.924 17.838 ( 1.914 -3.779 -2.647) 4.995 17.885 ( 1.350 -2.438 -4.772) 5.526 17.990 ( 3.310 0.436 -1.233) 3.559 18.013 ( 1.362 -1.045 -1.609) 2.353 18.068 ( -0.269 -0.956 0.306) 1.040 18.122 ( 0.719 -0.478 0.248) 0.899 18.746 ( -0.546 -0.381 -0.372) 0.763 18.755 ( -1.276 1.569 -0.104) 2.025 18.916 ( 0.913 -3.090 2.028) 3.807 19.040 ( 5.433 -1.187 -2.752) 6.205 19.286 ( -3.066 0.661 -0.484) 3.173 19.479 ( -1.153 -6.498 1.433) 6.753 19.496 ( -2.594 -3.831 2.552) 5.284 19.679 ( 1.740 -5.064 -1.715) 5.622 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 5.190 18.854 9.033) 21.541 1.528 ( -6.713 5.515 -4.292) 9.691 1.679 ( 11.102 21.307 -7.834) 25.270 1.886 ( 1.630 -2.692 5.424) 6.270 1.936 ( 4.227 -2.820 3.309) 6.064 2.070 ( -6.094 5.643 1.631) 8.464 2.135 ( -5.135 9.778 9.010) 14.253 2.197 ( -0.557 -1.447 1.130) 1.919 2.351 ( -5.698 3.795 -2.294) 7.220 2.445 ( 1.809 4.876 0.062) 5.201 2.545 ( 0.571 -6.846 0.761) 6.912 2.629 ( -4.673 -1.546 -3.638) 6.121 2.696 ( -4.130 -1.542 -4.396) 6.225 2.753 ( -1.195 1.355 -3.102) 3.589 2.866 ( -6.182 6.632 0.802) 9.102 2.914 ( 4.079 -0.480 2.700) 4.915 2.999 ( 5.454 -2.155 0.621) 5.897 3.104 ( -2.706 1.543 -1.697) 3.547 3.168 ( 8.192 4.527 -2.041) 9.579 3.201 ( -0.514 4.006 -2.564) 4.784 3.283 ( 3.687 4.870 0.398) 6.121 3.450 ( -0.997 -0.153 -0.827) 1.305 3.570 ( -3.293 -1.838 -0.992) 3.899 3.713 ( 3.429 -3.778 1.068) 5.212 3.764 ( 0.282 -2.527 -1.258) 2.837 3.849 ( -1.583 3.351 0.663) 3.765 3.903 ( 1.351 -1.301 2.878) 3.436 3.981 ( -0.474 -4.862 -0.019) 4.885 3.993 ( -1.594 0.196 1.467) 2.175 4.156 ( -3.671 -1.705 -1.923) 4.481 4.208 ( 0.797 -2.136 -1.837) 2.928 4.243 ( 0.485 -5.920 -1.618) 6.156 4.290 ( 0.689 -0.230 -0.134) 0.738 4.340 ( 0.173 2.091 -0.707) 2.214 4.679 ( 0.349 -4.201 -0.431) 4.237 4.715 ( -0.297 -4.678 -0.668) 4.735 4.975 ( -2.407 5.541 -0.293) 6.048 5.031 ( 1.791 2.771 -0.214) 3.307 5.217 ( 0.828 -4.504 3.139) 5.552 5.400 ( -0.604 -4.754 -2.174) 5.263 5.440 ( 0.934 -3.274 3.193) 4.667 5.529 ( -2.109 -5.857 1.012) 6.307 5.612 ( 0.358 -3.072 0.889) 3.218 5.772 ( 0.823 -1.110 0.181) 1.394 5.799 ( 0.155 -4.689 4.547) 6.533 5.872 ( 5.725 -3.669 7.038) 9.786 6.009 ( 2.155 -5.969 8.738) 10.799 6.031 ( 0.586 -6.767 0.537) 6.813 6.363 ( -5.327 1.545 -7.359) 9.215 6.422 ( -2.213 4.877 -9.267) 10.703 6.514 ( 0.993 -1.454 -3.367) 3.800 6.653 ( -2.009 -0.088 -0.702) 2.130 6.788 ( 0.807 0.444 0.874) 1.270 6.850 ( -3.330 3.745 -1.451) 5.218 6.887 ( 1.764 -0.838 -1.168) 2.275 6.993 ( 2.782 3.119 2.096) 4.675 7.100 ( 1.383 -0.554 -2.058) 2.541 7.148 ( -1.752 -1.530 0.260) 2.341 7.267 ( 0.381 0.072 -2.293) 2.326 7.360 ( 1.728 -1.624 -2.090) 3.161 7.417 ( -0.731 3.541 4.095) 5.463 7.554 ( -1.354 -0.920 1.299) 2.090 7.650 ( 1.226 -2.221 2.534) 3.586 7.659 ( 0.958 -0.565 1.212) 1.645 7.694 ( 2.067 2.647 -1.160) 3.553 7.811 ( -0.161 2.178 -1.064) 2.429 7.823 ( -1.180 0.396 0.164) 1.255 7.930 ( -0.741 -1.325 3.658) 3.960 7.979 ( -0.905 0.588 -1.135) 1.566 8.118 ( 1.259 0.457 -2.230) 2.601 8.170 ( 1.864 -1.420 -0.032) 2.344 8.183 ( -1.891 -0.088 0.552) 1.972 8.343 ( 1.043 0.154 -0.366) 1.116 8.396 ( -1.033 0.483 0.035) 1.141 8.459 ( -1.682 0.486 1.669) 2.419 8.540 ( 1.241 -0.396 -0.540) 1.410 8.734 ( 0.315 2.003 -1.394) 2.461 8.767 ( -1.032 0.607 -1.834) 2.190 8.852 ( 0.283 0.836 1.610) 1.836 8.910 ( 0.166 -0.256 -0.254) 0.397 12.794 ( 0.743 14.336 1.099) 14.397 12.960 ( -0.192 6.951 -3.342) 7.715 13.492 ( -0.299 -8.370 1.892) 8.586 13.629 ( 0.265 -12.187 -1.473) 12.279 17.036 ( -1.629 0.872 1.995) 2.719 17.073 ( -2.302 -0.571 4.222) 4.843 17.116 ( 1.400 2.708 -0.294) 3.063 17.143 ( 0.967 4.287 -1.275) 4.576 17.287 ( -2.666 1.046 -2.994) 4.143 17.332 ( -3.053 1.095 -1.913) 3.766 17.394 ( -0.246 1.403 1.004) 1.742 17.462 ( -0.458 -0.187 0.043) 0.497 17.567 ( 2.400 -0.445 2.540) 3.523 17.638 ( -3.515 -4.899 3.140) 6.798 17.762 ( 2.084 -2.113 0.362) 2.990 17.863 ( 5.477 -0.803 -5.163) 7.569 18.007 ( 1.937 -0.137 -2.639) 3.276 18.026 ( -0.824 0.534 -1.880) 2.121 18.051 ( 0.187 -0.685 0.635) 0.953 18.109 ( -0.575 -0.893 -0.950) 1.425 18.749 ( 0.173 0.145 0.554) 0.598 18.775 ( 0.182 1.398 0.042) 1.411 18.859 ( -1.238 -3.253 1.091) 3.648 19.003 ( 1.560 -5.663 -1.954) 6.190 19.291 ( -3.495 -2.295 1.301) 4.379 19.341 ( 2.428 0.803 0.053) 2.558 19.405 ( -2.104 -5.205 3.704) 6.726 19.590 ( 2.306 -4.289 -0.934) 4.959 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -4.609 1.449 -3.470) 5.949 1.563 ( 10.098 16.243 9.403) 21.312 1.783 ( -6.796 6.046 -11.514) 14.673 1.849 ( 8.978 13.012 -1.129) 15.849 1.923 ( -6.360 2.482 1.619) 7.017 2.011 ( -3.252 2.198 4.799) 6.199 2.097 ( -6.073 3.642 -0.869) 7.134 2.206 ( 1.360 3.680 5.651) 6.879 2.389 ( 0.740 -1.416 7.741) 7.904 2.450 ( -5.699 -3.277 -2.532) 7.044 2.504 ( 2.963 -0.356 2.162) 3.685 2.584 ( -2.488 1.632 0.104) 2.978 2.602 ( 2.955 -2.654 -1.130) 4.129 2.702 ( -8.118 -1.720 1.055) 8.365 2.719 ( -3.555 8.574 1.350) 9.379 2.940 ( 0.895 -2.154 -1.891) 3.003 3.035 ( -0.454 0.876 -0.391) 1.061 3.129 ( 1.711 1.515 -2.127) 3.122 3.172 ( 6.035 5.601 -1.557) 8.379 3.297 ( -0.475 2.975 -3.741) 4.803 3.324 ( 1.881 6.916 -3.428) 7.945 3.435 ( 7.208 -1.931 -3.084) 8.074 3.593 ( -0.221 -3.897 7.529) 8.480 3.699 ( -4.272 1.257 -2.519) 5.116 3.764 ( -0.960 1.510 -1.177) 2.142 3.836 ( 1.305 1.498 -1.927) 2.768 3.889 ( -2.909 0.661 -0.256) 2.994 3.987 ( 2.529 -2.221 -0.979) 3.505 4.019 ( -1.552 -3.985 5.469) 6.942 4.087 ( -1.436 -2.298 2.228) 3.508 4.175 ( -2.514 -5.031 -1.397) 5.795 4.237 ( 0.082 -4.967 -2.177) 5.424 4.303 ( 1.753 -0.686 -0.981) 2.123 4.353 ( 1.804 2.597 -0.873) 3.281 4.668 ( -1.312 -3.558 -0.699) 3.857 4.684 ( -1.611 -4.430 -0.510) 4.741 4.929 ( -1.903 4.220 0.194) 4.633 5.085 ( 3.689 2.435 -0.347) 4.434 5.286 ( 2.663 -3.772 3.273) 5.660 5.338 ( -1.582 -5.964 -2.913) 6.823 5.472 ( -0.742 0.641 2.449) 2.638 5.566 ( 1.368 -9.858 3.804) 10.655 5.634 ( 0.347 -4.052 0.776) 4.140 5.758 ( 0.723 -0.037 -2.051) 2.175 5.798 ( -4.488 -1.995 4.273) 6.510 6.017 ( -1.693 -0.132 0.810) 1.881 6.092 ( 1.902 -4.510 9.463) 10.654 6.162 ( 2.981 -6.250 5.842) 9.060 6.203 ( -1.674 -0.658 -3.349) 3.801 6.297 ( -0.125 4.017 -7.278) 8.313 6.467 ( -0.152 -4.333 -6.142) 7.519 6.588 ( -1.234 -2.450 -5.864) 6.473 6.768 ( -3.465 0.424 -0.279) 3.502 6.797 ( -0.855 -0.545 -0.064) 1.015 6.899 ( 0.604 2.321 -0.272) 2.414 7.058 ( 0.567 1.362 4.268) 4.516 7.111 ( 1.100 0.028 -2.004) 2.286 7.130 ( 1.525 0.712 -1.236) 2.088 7.263 ( 1.397 -0.374 -1.836) 2.337 7.360 ( 0.677 -2.134 -2.243) 3.169 7.474 ( 1.613 3.191 4.097) 5.438 7.551 ( -0.582 0.376 0.998) 1.216 7.679 ( 0.922 -1.677 0.331) 1.942 7.696 ( 1.160 1.473 -0.409) 1.919 7.742 ( 2.710 1.992 -0.063) 3.364 7.782 ( -1.351 0.762 -1.879) 2.436 7.827 ( 0.172 0.026 2.791) 2.796 7.940 ( -0.569 -0.114 2.348) 2.419 7.963 ( 1.114 2.766 -1.791) 3.478 8.129 ( 0.321 -0.979 -0.927) 1.386 8.148 ( -0.568 -0.347 -0.849) 1.079 8.191 ( -0.482 -0.680 1.223) 1.480 8.365 ( 1.257 -0.516 0.167) 1.369 8.376 ( -0.175 2.109 -0.757) 2.247 8.438 ( -2.395 0.231 1.605) 2.892 8.549 ( 0.214 -1.421 -0.577) 1.549 8.716 ( -0.608 2.168 -0.776) 2.382 8.749 ( 0.685 2.098 -1.208) 2.516 8.861 ( -0.781 -0.299 0.914) 1.239 8.918 ( 1.017 -1.246 -0.280) 1.632 12.808 ( -1.275 13.309 0.308) 13.374 12.906 ( -0.867 10.865 -1.926) 11.069 13.508 ( -0.151 -10.225 1.185) 10.294 13.644 ( 2.681 -11.224 -1.155) 11.598 17.009 ( -2.448 0.846 0.334) 2.611 17.059 ( -4.574 1.860 -0.313) 4.948 17.079 ( -2.818 -0.851 3.648) 4.687 17.132 ( -2.062 0.319 2.141) 2.990 17.263 ( 0.132 2.963 -1.268) 3.226 17.293 ( 3.014 3.190 0.976) 4.496 17.388 ( -1.091 0.025 -0.579) 1.235 17.461 ( -0.711 1.397 0.241) 1.586 17.543 ( -4.689 -5.212 0.246) 7.015 17.581 ( -3.257 -5.524 -0.958) 6.484 17.852 ( 4.033 0.985 0.538) 4.186 17.924 ( 4.180 -0.340 -2.964) 5.136 17.979 ( -0.419 -0.163 -2.681) 2.718 18.024 ( 0.960 -0.344 -1.264) 1.624 18.046 ( -0.031 -0.359 0.223) 0.424 18.099 ( 0.392 -0.802 -0.369) 0.966 18.745 ( -0.775 -0.773 0.545) 1.223 18.790 ( 0.506 0.250 0.335) 0.656 18.839 ( -1.167 -2.363 0.602) 2.704 18.992 ( -0.757 -4.786 -1.557) 5.090 19.221 ( -3.068 -3.365 -0.533) 4.585 19.374 ( -3.553 -6.792 2.179) 7.969 19.456 ( 6.103 3.526 2.210) 7.387 19.645 ( 3.785 -2.504 -0.800) 4.608 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 2.154 -2.558 -4.034) 5.240 1.620 ( 2.285 7.719 -7.176) 10.784 1.732 ( -2.110 9.910 -5.111) 11.349 1.813 ( 3.346 2.821 0.877) 4.464 1.919 ( -10.938 -4.122 7.024) 13.637 1.995 ( -3.041 7.012 2.261) 7.971 2.018 ( 0.170 0.155 5.436) 5.441 2.166 ( -5.246 5.242 1.760) 7.622 2.402 ( 1.657 2.292 1.670) 3.285 2.482 ( -0.931 5.863 1.117) 6.041 2.513 ( -4.540 -4.221 -0.243) 6.204 2.539 ( -4.854 -0.384 2.729) 5.582 2.567 ( -1.028 0.351 2.417) 2.650 2.686 ( 2.704 -2.051 2.045) 3.962 2.848 ( 8.627 2.751 7.228) 11.586 2.971 ( 1.067 1.769 -5.387) 5.770 3.010 ( 3.844 -1.764 1.843) 4.613 3.082 ( -3.640 1.902 -6.849) 7.986 3.173 ( -1.104 2.631 -6.235) 6.857 3.291 ( 0.224 6.286 -1.495) 6.466 3.331 ( 5.725 2.919 -4.252) 7.706 3.524 ( 1.955 1.096 -0.673) 2.340 3.615 ( -1.147 7.391 1.775) 7.688 3.637 ( -3.107 -2.595 5.993) 7.232 3.726 ( -0.501 1.549 -0.254) 1.647 3.810 ( 0.334 1.208 -1.621) 2.049 3.888 ( -0.180 0.417 -0.068) 0.460 4.000 ( -0.126 0.957 -0.609) 1.142 4.016 ( -2.718 -3.602 2.860) 5.342 4.111 ( -1.219 -5.641 -1.802) 6.046 4.144 ( 1.586 -3.581 5.324) 6.610 4.192 ( -2.198 -1.730 -2.205) 3.561 4.331 ( 1.796 -1.407 -0.558) 2.349 4.408 ( 5.001 -1.275 -0.523) 5.187 4.605 ( -3.418 -3.488 -2.294) 5.395 4.657 ( -1.625 -3.779 0.374) 4.130 4.922 ( -0.668 3.715 3.025) 4.837 5.146 ( 3.224 3.091 -1.043) 4.587 5.304 ( 0.288 -3.703 -0.671) 3.774 5.375 ( 3.370 -3.843 1.695) 5.385 5.466 ( 0.468 -2.064 -2.394) 3.196 5.598 ( -1.552 -10.471 1.679) 10.718 5.646 ( 0.069 -4.257 1.989) 4.699 5.705 ( -6.503 -3.178 -0.588) 7.262 5.764 ( 0.901 2.320 -2.159) 3.295 5.993 ( -1.557 3.122 4.478) 5.677 6.038 ( -3.388 0.112 -8.222) 8.893 6.121 ( -2.097 -2.200 -0.664) 3.112 6.266 ( 1.406 -0.290 -0.544) 1.536 6.411 ( 5.585 -3.263 7.814) 10.144 6.449 ( 0.415 -3.876 0.652) 3.952 6.497 ( -0.230 -5.595 -3.873) 6.808 6.712 ( -2.179 -0.897 0.244) 2.369 6.774 ( -1.853 -1.388 0.236) 2.327 6.914 ( 1.441 2.961 -0.382) 3.315 7.092 ( -1.208 1.776 -1.142) 2.432 7.105 ( 0.529 -0.917 2.900) 3.087 7.171 ( 3.018 0.135 -0.569) 3.074 7.272 ( 1.536 0.387 -2.904) 3.308 7.350 ( 0.890 -1.984 -2.427) 3.259 7.525 ( -0.742 3.872 3.095) 5.012 7.550 ( -0.287 1.199 0.872) 1.510 7.667 ( -0.228 -2.676 -1.779) 3.222 7.704 ( -0.195 3.046 -0.852) 3.169 7.762 ( 1.194 -1.050 -0.289) 1.616 7.778 ( 1.688 1.410 -0.696) 2.307 7.858 ( -0.231 0.489 2.129) 2.196 7.952 ( 0.301 3.532 -0.167) 3.549 7.998 ( 3.505 2.237 -0.390) 4.177 8.093 ( -2.056 -0.911 -0.229) 2.261 8.138 ( -1.557 0.729 -0.037) 1.720 8.190 ( 0.194 -1.260 -0.739) 1.473 8.365 ( 0.639 2.259 -0.357) 2.374 8.396 ( -1.065 -0.543 0.540) 1.312 8.412 ( -0.191 -0.625 1.160) 1.331 8.540 ( -0.288 -2.560 -0.647) 2.656 8.707 ( 0.160 3.107 -0.262) 3.122 8.762 ( 0.813 2.015 0.786) 2.310 8.848 ( -0.822 -0.518 -0.142) 0.982 8.933 ( 0.696 -1.820 -0.273) 1.967 12.764 ( -1.750 12.190 -0.489) 12.325 12.900 ( 0.172 14.476 -0.384) 14.482 13.511 ( -0.143 -12.483 0.823) 12.511 13.687 ( 2.180 -10.207 -0.844) 10.471 16.963 ( -1.399 0.114 -0.660) 1.551 16.997 ( -1.519 -0.279 0.410) 1.598 17.076 ( -2.727 -1.351 4.655) 5.561 17.104 ( -3.087 -1.774 3.503) 4.995 17.301 ( 0.930 1.780 2.183) 2.966 17.323 ( -1.109 1.347 -0.759) 1.902 17.349 ( -4.889 -0.629 0.893) 5.010 17.439 ( -3.517 -5.036 -2.426) 6.604 17.447 ( 3.199 1.307 0.150) 3.459 17.558 ( 1.095 -2.719 -0.855) 3.054 17.886 ( 0.968 0.852 -0.926) 1.587 17.940 ( 0.796 0.507 -2.146) 2.344 17.969 ( 1.014 -0.676 -1.620) 2.027 18.019 ( 0.726 -1.648 -1.336) 2.242 18.062 ( 0.679 1.086 -1.257) 1.795 18.113 ( 0.801 0.798 0.461) 1.222 18.740 ( -0.386 -2.045 0.719) 2.202 18.776 ( -1.928 -2.733 0.521) 3.384 18.851 ( 2.010 0.334 -0.435) 2.084 18.949 ( -2.136 -2.484 -1.306) 3.527 19.196 ( 0.397 -3.603 0.986) 3.756 19.324 ( -3.920 -6.805 3.127) 8.453 19.575 ( 4.002 3.645 0.170) 5.416 19.684 ( 1.999 -0.949 -2.750) 3.530 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 8.004 -6.437 -4.145) 11.076 1.551 ( -2.129 6.939 -11.071) 13.238 1.688 ( -5.661 -4.932 4.835) 8.930 1.830 ( 4.503 0.853 8.829) 9.947 1.917 ( 2.649 -1.790 -1.052) 3.366 1.981 ( -0.127 4.613 4.630) 6.537 2.089 ( -1.289 3.254 5.867) 6.832 2.138 ( -0.418 9.301 3.143) 9.827 2.355 ( -6.338 5.588 -4.707) 9.672 2.430 ( 0.152 7.856 2.180) 8.154 2.480 ( 0.974 -4.127 0.412) 4.260 2.535 ( -0.326 6.653 3.456) 7.505 2.574 ( -2.446 -0.717 -0.005) 2.549 2.734 ( -0.323 -4.283 1.348) 4.501 2.820 ( -8.919 3.477 -3.627) 10.237 2.928 ( -0.146 -2.430 -5.930) 6.410 2.975 ( 1.922 -2.897 -4.246) 5.488 3.081 ( -0.763 1.082 -6.065) 6.208 3.235 ( 7.934 1.317 4.738) 9.334 3.269 ( -1.985 5.632 -0.822) 6.028 3.379 ( 7.665 6.558 -4.257) 10.949 3.552 ( -2.025 1.142 -4.114) 4.726 3.599 ( -0.002 -0.424 4.849) 4.867 3.672 ( -2.266 2.730 8.089) 8.833 3.748 ( 1.534 5.418 2.263) 6.069 3.841 ( 1.925 -1.608 -0.189) 2.515 3.863 ( 1.282 0.439 -1.019) 1.696 3.970 ( -2.790 1.414 0.847) 3.240 4.012 ( -1.659 -4.410 3.486) 5.861 4.092 ( -0.207 -3.589 -0.232) 3.602 4.139 ( 0.087 3.671 -2.136) 4.248 4.230 ( 1.954 -3.082 4.144) 5.522 4.359 ( 1.070 -3.241 0.607) 3.466 4.462 ( -2.694 -3.393 -2.092) 4.811 4.542 ( 2.960 -3.549 -1.447) 4.842 4.629 ( -0.764 -3.356 -1.222) 3.652 4.954 ( -0.365 4.274 4.998) 6.587 5.166 ( 0.171 4.346 -1.951) 4.767 5.321 ( 0.988 -2.353 1.325) 2.875 5.404 ( -2.385 -3.240 -0.626) 4.072 5.467 ( 2.158 -2.006 -2.247) 3.706 5.539 ( -4.055 -9.663 -1.933) 10.656 5.621 ( 0.689 -3.611 -0.816) 3.765 5.652 ( -1.417 -3.039 0.736) 3.433 5.772 ( 1.060 -2.794 0.646) 3.057 5.920 ( -0.189 -2.467 -6.132) 6.612 5.961 ( -1.928 -3.457 -7.212) 8.227 6.154 ( 1.774 3.123 5.230) 6.345 6.221 ( -1.724 -1.805 -5.186) 5.756 6.422 ( -0.413 2.486 4.729) 5.359 6.548 ( 2.260 -5.313 7.282) 9.293 6.600 ( 2.907 -0.397 3.863) 4.851 6.688 ( -0.459 -1.954 -0.498) 2.068 6.749 ( 0.620 -2.141 -0.415) 2.267 6.938 ( 0.665 2.427 0.432) 2.554 7.041 ( -2.210 2.010 -2.169) 3.692 7.137 ( -0.327 -1.686 2.311) 2.879 7.199 ( -0.701 -1.254 0.414) 1.495 7.270 ( 2.942 1.587 -4.158) 5.335 7.343 ( 1.141 -1.615 -3.065) 3.647 7.508 ( -2.963 4.935 1.775) 6.024 7.567 ( 0.821 0.372 1.631) 1.863 7.658 ( 0.021 -3.201 -0.658) 3.268 7.690 ( -0.301 3.328 -0.724) 3.419 7.781 ( 0.695 -1.885 -1.181) 2.331 7.802 ( 1.040 1.915 0.404) 2.216 7.852 ( -1.442 0.495 0.313) 1.556 7.948 ( -0.024 3.332 -1.427) 3.625 8.046 ( 0.028 1.734 0.481) 1.800 8.064 ( -0.456 0.171 0.545) 0.731 8.113 ( -0.138 1.416 -0.051) 1.423 8.178 ( 0.693 -1.586 -2.549) 3.081 8.364 ( -1.706 0.389 0.093) 1.752 8.389 ( 1.408 1.499 0.555) 2.130 8.420 ( -0.660 -1.418 0.861) 1.786 8.534 ( 0.347 -2.933 -0.656) 3.026 8.716 ( 0.509 3.258 0.597) 3.351 8.788 ( 0.454 1.918 1.522) 2.490 8.831 ( -0.484 -0.362 -0.319) 0.684 8.935 ( 0.029 -1.597 -0.738) 1.759 12.760 ( 1.010 12.475 1.165) 12.570 12.884 ( -0.559 14.724 -1.877) 14.854 13.528 ( 0.146 -12.814 2.194) 13.001 13.693 ( 0.108 -10.982 -1.887) 11.144 16.965 ( 1.379 -0.420 1.387) 2.001 17.005 ( 0.759 -0.935 2.348) 2.639 17.068 ( -2.869 -1.279 4.217) 5.259 17.097 ( -1.284 -2.071 3.477) 4.245 17.221 ( -3.132 0.393 -3.448) 4.675 17.245 ( -3.358 -0.308 -3.112) 4.588 17.357 ( 1.089 -0.024 -1.067) 1.525 17.420 ( 2.848 -3.868 -0.905) 4.887 17.549 ( 2.575 0.418 5.886) 6.438 17.578 ( 0.336 -1.624 2.586) 3.072 17.901 ( 1.443 1.309 -0.501) 2.012 17.921 ( -0.913 1.432 -1.539) 2.292 17.971 ( 1.465 -0.250 -2.969) 3.320 18.004 ( 0.390 -1.231 -4.306) 4.496 18.064 ( 1.056 0.832 -0.170) 1.354 18.112 ( -1.209 1.099 -0.436) 1.690 18.739 ( -1.232 -3.205 1.184) 3.632 18.760 ( 0.490 -2.413 0.351) 2.487 18.886 ( 0.494 -0.258 -0.971) 1.120 18.898 ( 0.075 -0.848 -1.503) 1.727 19.248 ( 2.372 -4.130 3.419) 5.863 19.308 ( -2.246 -6.458 5.422) 8.726 19.568 ( -2.247 3.436 -4.302) 5.947 19.681 ( 1.091 -0.766 -3.727) 3.959 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.368 14.497 -9.402) 17.332 1.498 ( 4.011 -7.241 0.846) 8.321 1.674 ( 1.838 -11.965 3.437) 12.584 1.807 ( -9.531 11.786 -6.218) 16.383 1.975 ( -3.279 4.491 4.811) 7.353 2.052 ( -0.457 4.086 3.559) 5.437 2.146 ( 1.951 -2.423 -0.876) 3.231 2.191 ( 7.551 0.525 3.154) 8.200 2.329 ( 3.029 4.954 2.516) 6.328 2.443 ( 0.688 3.814 -1.910) 4.321 2.474 ( -2.681 9.206 3.377) 10.165 2.515 ( 2.221 2.807 3.272) 4.850 2.629 ( 2.445 3.184 8.089) 9.030 2.706 ( -0.410 -4.911 -0.807) 4.994 2.749 ( 0.804 4.826 3.273) 5.887 2.912 ( 0.281 4.436 -2.440) 5.071 2.944 ( 2.159 -5.991 -6.114) 8.828 3.013 ( 1.089 -5.045 -6.170) 8.044 3.220 ( -2.187 9.586 -1.128) 9.897 3.318 ( -1.575 -0.942 -0.922) 2.054 3.451 ( 2.701 5.513 -5.993) 8.580 3.508 ( -3.068 0.284 0.233) 3.090 3.587 ( 3.125 -2.151 -0.620) 3.844 3.715 ( -3.508 1.732 7.141) 8.142 3.781 ( -1.093 1.567 -0.313) 1.936 3.832 ( 1.617 0.182 -1.649) 2.316 3.939 ( 0.352 -2.171 2.680) 3.467 3.951 ( -0.610 -1.295 2.311) 2.718 3.975 ( -1.330 -1.144 0.105) 1.758 4.111 ( 0.504 1.448 1.354) 2.045 4.159 ( 2.039 -0.858 1.675) 2.774 4.291 ( 1.630 0.057 0.545) 1.719 4.343 ( -3.486 -4.690 -2.308) 6.283 4.376 ( -2.006 -1.469 1.303) 2.807 4.615 ( 4.202 -4.326 -0.888) 6.096 4.624 ( 2.538 -3.358 -1.683) 4.533 4.998 ( -0.563 4.634 4.759) 6.666 5.117 ( -2.690 5.025 -2.475) 6.213 5.304 ( -5.325 -3.512 -0.948) 6.449 5.383 ( 2.427 -3.606 4.516) 6.268 5.437 ( -2.867 -3.272 -1.784) 4.701 5.483 ( -0.025 -5.904 -2.634) 6.465 5.645 ( 0.379 -3.533 -0.762) 3.634 5.654 ( 1.939 -3.016 1.001) 3.722 5.794 ( -0.653 -4.708 -2.518) 5.379 5.845 ( 0.594 -5.450 -2.468) 6.012 5.945 ( 3.871 -4.323 -1.769) 6.066 6.014 ( -4.899 -5.326 -9.929) 12.286 6.349 ( 3.662 4.150 10.151) 11.562 6.495 ( 1.440 4.139 5.639) 7.142 6.588 ( -1.522 1.202 -2.469) 3.140 6.651 ( 0.331 0.478 3.996) 4.039 6.699 ( 2.100 -2.259 -0.337) 3.103 6.799 ( 4.176 -3.081 -1.578) 5.424 6.939 ( -1.793 2.820 2.185) 3.993 6.976 ( -2.152 2.452 -1.946) 3.799 7.137 ( -0.882 -1.925 0.513) 2.178 7.171 ( -1.645 -0.982 -0.352) 1.948 7.286 ( 2.012 0.714 -2.907) 3.607 7.341 ( 1.988 -1.148 -2.709) 3.551 7.464 ( -3.527 5.229 1.888) 6.583 7.595 ( -0.048 -1.723 1.439) 2.245 7.642 ( -1.021 -2.985 -0.887) 3.277 7.672 ( -1.348 2.069 -0.142) 2.474 7.748 ( -1.480 -1.235 -2.863) 3.451 7.822 ( 0.512 1.566 0.236) 1.664 7.838 ( -0.604 1.108 1.781) 2.183 7.921 ( -1.245 0.630 -1.277) 1.892 8.020 ( -2.131 1.645 0.677) 2.776 8.079 ( 1.759 0.864 -0.310) 1.984 8.133 ( 1.510 0.799 -0.740) 1.862 8.180 ( 1.156 -0.942 -0.484) 1.568 8.340 ( -0.346 0.168 -1.034) 1.103 8.401 ( -0.537 -0.920 0.752) 1.304 8.438 ( 0.702 0.390 2.517) 2.642 8.531 ( 0.407 -1.498 -1.608) 2.235 8.731 ( 0.171 2.141 0.806) 2.294 8.799 ( 0.892 1.944 -1.151) 2.429 8.832 ( -0.841 0.051 2.158) 2.317 8.922 ( -0.266 -0.650 -1.074) 1.283 12.797 ( 0.323 14.083 0.448) 14.094 12.871 ( 2.606 11.592 -1.206) 11.942 13.535 ( -2.018 -10.534 1.534) 10.835 13.673 ( -0.073 -13.592 -1.391) 13.663 17.029 ( 1.480 1.265 1.634) 2.542 17.043 ( 0.434 0.260 3.067) 3.109 17.066 ( -1.471 -0.507 5.049) 5.284 17.124 ( -0.923 -0.912 3.383) 3.624 17.171 ( 2.888 0.818 -3.376) 4.518 17.209 ( 3.927 -0.119 -2.283) 4.544 17.365 ( 1.448 -1.010 -1.471) 2.298 17.450 ( 1.596 -2.906 -2.793) 4.335 17.617 ( -1.131 -1.581 6.953) 7.220 17.633 ( -0.632 -1.802 4.822) 5.187 17.844 ( -3.379 2.642 -4.150) 5.968 17.926 ( 1.120 0.700 -5.196) 5.361 17.963 ( 2.746 0.963 -2.075) 3.574 17.988 ( 1.914 -0.576 -2.964) 3.575 18.072 ( -1.537 0.219 -0.365) 1.595 18.095 ( 1.041 0.081 1.089) 1.508 18.729 ( -0.522 -2.131 0.515) 2.254 18.785 ( 0.773 -2.140 0.972) 2.474 18.845 ( -1.097 -0.077 -0.637) 1.271 18.936 ( 3.265 -2.478 -1.719) 4.445 19.319 ( -0.757 -4.094 5.680) 7.043 19.347 ( 0.685 -6.371 4.927) 8.083 19.453 ( -3.914 2.769 -4.846) 6.817 19.638 ( -0.876 -2.331 -4.737) 5.352 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -4.718 18.053 -1.211) 18.699 1.575 ( 5.654 15.763 -7.365) 18.295 1.653 ( -1.424 3.951 2.484) 4.879 1.786 ( 4.202 -7.347 3.112) 9.018 1.867 ( -2.178 2.133 -4.510) 5.444 2.087 ( 0.640 -1.789 0.001) 1.900 2.148 ( 0.994 -2.174 3.401) 4.157 2.217 ( -9.953 18.109 8.154) 22.215 2.403 ( 2.081 4.937 0.181) 5.361 2.466 ( -0.522 -2.040 2.560) 3.315 2.554 ( -0.605 -1.905 1.735) 2.647 2.640 ( 2.735 -2.114 1.799) 3.897 2.677 ( 8.247 0.955 2.016) 8.544 2.801 ( -0.969 -0.611 2.013) 2.316 2.840 ( 1.276 6.785 6.175) 9.263 2.872 ( 6.776 -3.362 -5.532) 9.371 2.922 ( -1.472 0.617 -3.995) 4.302 3.030 ( 6.037 1.577 -2.771) 6.827 3.168 ( -1.898 13.696 0.075) 13.827 3.247 ( -0.351 -5.480 -5.068) 7.472 3.354 ( -8.443 5.447 -2.366) 10.322 3.459 ( -0.079 1.672 -0.181) 1.684 3.633 ( 1.102 -8.278 -1.564) 8.496 3.712 ( -3.947 -3.057 -2.150) 5.436 3.748 ( 1.327 3.323 2.348) 4.279 3.843 ( 0.571 2.121 0.697) 2.305 3.879 ( -2.033 -0.389 0.243) 2.084 3.970 ( -0.003 -2.196 2.014) 2.980 4.030 ( -1.050 -3.802 1.243) 4.136 4.131 ( 3.632 -0.210 -0.242) 3.647 4.217 ( 1.331 -2.832 0.586) 3.183 4.278 ( -1.503 3.143 -1.236) 3.696 4.288 ( -1.177 -5.686 -0.549) 5.833 4.356 ( -0.701 0.499 -0.682) 1.098 4.659 ( 2.383 -4.020 -0.727) 4.730 4.690 ( 3.080 -4.903 0.342) 5.801 5.010 ( -1.894 5.940 1.788) 6.486 5.043 ( -2.019 3.726 -1.653) 4.549 5.216 ( -3.109 -4.131 0.770) 5.227 5.389 ( -0.473 -3.472 -0.233) 3.512 5.444 ( -0.182 -3.829 -1.081) 3.983 5.527 ( 2.965 -7.220 6.258) 10.004 5.622 ( -1.358 -3.587 -0.633) 3.888 5.683 ( 1.267 -1.035 -1.873) 2.487 5.751 ( 0.646 -5.492 0.971) 5.614 5.864 ( -1.744 -2.647 -3.691) 4.865 5.908 ( 1.349 -5.638 4.665) 7.441 6.002 ( 2.714 -7.633 -0.481) 8.115 6.477 ( 1.495 1.599 4.557) 5.056 6.506 ( -2.611 2.730 -6.054) 7.136 6.533 ( -0.642 3.408 -2.727) 4.412 6.668 ( -1.233 2.041 3.099) 3.910 6.748 ( 2.671 0.065 0.022) 2.672 6.849 ( 3.712 -2.138 -2.285) 4.854 6.913 ( -3.082 4.143 1.247) 5.312 6.946 ( 0.856 2.390 -0.691) 2.631 7.113 ( -0.761 -1.637 -1.617) 2.423 7.157 ( -0.134 -1.324 0.889) 1.600 7.284 ( 0.658 0.481 -2.418) 2.552 7.353 ( 1.457 -1.220 -2.107) 2.838 7.422 ( -3.106 4.289 2.671) 5.930 7.587 ( -3.073 -1.852 1.457) 3.872 7.612 ( 0.250 -2.893 0.008) 2.904 7.649 ( -0.933 0.312 0.848) 1.299 7.701 ( -0.390 0.060 -2.498) 2.529 7.821 ( 0.147 1.666 -0.906) 1.902 7.849 ( -1.502 2.031 1.073) 2.745 7.900 ( -0.153 -1.758 2.076) 2.725 8.000 ( -0.800 0.907 0.151) 1.219 8.112 ( 2.010 1.082 -1.119) 2.542 8.143 ( 1.313 -0.776 -1.545) 2.171 8.196 ( -0.459 0.004 1.474) 1.544 8.333 ( 0.995 0.230 -1.598) 1.896 8.403 ( -0.930 -1.625 2.084) 2.802 8.466 ( -0.527 0.873 1.815) 2.082 8.525 ( 1.166 -0.108 -1.742) 2.099 8.736 ( 0.481 1.552 -0.807) 1.814 8.802 ( -0.178 0.074 -1.328) 1.342 8.832 ( -0.516 1.701 1.759) 2.501 8.912 ( -0.064 0.193 -0.325) 0.384 12.785 ( -0.289 14.502 -0.419) 14.511 12.942 ( 4.123 7.942 -0.954) 9.000 13.500 ( -2.111 -8.743 0.894) 9.039 13.654 ( -1.056 -13.585 -0.888) 13.655 17.035 ( -0.200 1.435 0.830) 1.670 17.075 ( -2.497 -0.866 5.047) 5.697 17.092 ( 2.089 3.044 -1.164) 3.871 17.122 ( 0.754 2.310 -0.598) 2.503 17.282 ( 5.366 -0.169 3.141) 6.220 17.322 ( 5.461 -0.476 1.533) 5.692 17.377 ( 0.804 0.577 0.659) 1.189 17.439 ( 0.699 -1.613 -1.625) 2.394 17.590 ( -5.140 2.159 -2.064) 5.944 17.650 ( -2.176 -3.763 5.321) 6.871 17.764 ( -1.220 -1.655 -1.046) 2.306 17.866 ( 1.406 -0.305 -8.170) 8.296 17.996 ( 2.198 -0.133 -2.958) 3.688 18.017 ( 2.542 1.097 -0.003) 2.768 18.050 ( -0.557 -0.436 -0.146) 0.722 18.118 ( 0.207 -0.209 0.433) 0.524 18.734 ( 0.568 -0.561 0.325) 0.862 18.784 ( -0.856 1.143 0.011) 1.428 18.853 ( 0.542 -2.908 1.254) 3.213 18.977 ( 3.107 -4.270 -2.040) 5.661 19.319 ( -2.363 0.928 0.435) 2.576 19.358 ( -2.576 -3.859 1.840) 4.992 19.402 ( -1.174 -4.762 3.148) 5.828 19.585 ( 0.136 -4.144 -2.881) 5.049 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.857 11.532 5.961) 13.010 1.675 ( -5.837 8.960 1.489) 10.796 1.808 ( 3.653 -1.747 7.146) 8.214 1.878 ( -1.270 -3.608 5.068) 6.349 1.997 ( 1.361 -5.421 1.141) 5.705 2.044 ( 3.657 -7.032 2.826) 8.415 2.124 ( 7.508 15.732 -11.608) 20.944 2.306 ( -5.743 5.101 -0.064) 7.682 2.393 ( -2.920 -3.972 -4.802) 6.882 2.459 ( 2.730 -4.311 -3.963) 6.461 2.554 ( -1.847 3.810 -3.460) 5.468 2.603 ( -2.630 -2.174 -5.401) 6.389 2.716 ( -0.624 7.192 0.768) 7.260 2.767 ( -0.669 -4.942 -0.697) 5.035 2.830 ( -1.695 2.438 1.701) 3.422 2.920 ( 4.740 -1.276 -1.104) 5.031 3.012 ( -2.647 1.009 3.814) 4.751 3.052 ( -1.704 -4.520 6.195) 7.856 3.260 ( 3.576 3.972 -4.403) 6.925 3.319 ( -0.785 1.180 -5.756) 5.927 3.397 ( 2.276 5.695 1.312) 6.272 3.503 ( -0.040 1.593 1.634) 2.282 3.539 ( -4.694 2.395 3.234) 6.183 3.624 ( 0.390 -2.193 4.740) 5.237 3.700 ( 1.314 -1.104 3.396) 3.805 3.854 ( -0.845 -7.754 1.682) 7.979 3.908 ( -0.660 1.487 -0.131) 1.632 3.913 ( 0.302 0.338 0.453) 0.641 4.029 ( -0.021 0.803 -2.252) 2.391 4.080 ( -1.598 -5.463 0.506) 5.714 4.120 ( -0.374 0.879 -3.772) 3.891 4.176 ( -0.540 -3.034 -3.472) 4.643 4.374 ( -0.516 8.113 -0.406) 8.140 4.445 ( 1.421 6.660 -1.183) 6.912 4.555 ( 0.661 -8.390 -0.912) 8.465 4.585 ( 0.112 -7.091 -0.553) 7.113 5.057 ( 0.080 3.210 0.314) 3.226 5.125 ( 0.601 -1.712 0.841) 1.999 5.155 ( -0.656 5.625 -0.977) 5.746 5.294 ( -2.438 -5.458 -3.403) 6.879 5.373 ( 1.992 -2.025 1.625) 3.273 5.406 ( 0.495 -5.467 1.634) 5.727 5.620 ( -0.496 2.825 1.766) 3.369 5.697 ( 1.370 -4.519 2.499) 5.343 5.789 ( 0.910 1.715 5.611) 5.937 5.824 ( 4.211 -1.596 7.451) 8.707 5.907 ( 1.295 -2.310 4.122) 4.900 5.931 ( 2.123 -3.779 5.117) 6.706 6.405 ( -4.768 2.515 -7.314) 9.086 6.455 ( -2.608 -2.109 -6.210) 7.058 6.546 ( -0.587 4.709 -8.200) 9.474 6.626 ( -1.536 -2.776 -5.160) 6.058 6.802 ( -0.545 1.028 1.643) 2.013 6.831 ( -0.773 -1.874 -0.397) 2.065 6.969 ( -0.662 4.934 -0.518) 5.005 7.037 ( 1.509 -0.558 -0.252) 1.628 7.085 ( 0.658 0.344 0.641) 0.981 7.114 ( 0.195 -1.725 0.553) 1.822 7.280 ( 1.132 1.334 -3.635) 4.034 7.319 ( 1.581 -2.286 -3.098) 4.162 7.481 ( -1.031 2.631 3.879) 4.799 7.524 ( -0.964 -1.796 2.942) 3.579 7.616 ( 1.706 -0.691 2.719) 3.284 7.624 ( 1.728 -1.342 1.393) 2.593 7.782 ( 1.696 3.870 0.344) 4.240 7.825 ( -1.541 -0.439 0.293) 1.629 7.841 ( -0.703 1.111 -0.320) 1.353 7.881 ( -0.501 -2.784 2.841) 4.009 8.034 ( 0.471 3.871 -0.954) 4.015 8.108 ( 0.567 -2.805 -0.830) 2.979 8.146 ( 0.881 0.579 -1.653) 1.960 8.169 ( -1.120 -1.197 -0.546) 1.728 8.359 ( -0.260 1.279 1.561) 2.034 8.386 ( -0.620 -1.166 2.232) 2.594 8.490 ( -0.614 2.013 -0.166) 2.111 8.525 ( 0.323 -1.248 -0.457) 1.367 8.762 ( 0.336 0.806 -0.835) 1.208 8.770 ( 0.063 -0.123 -0.961) 0.971 8.875 ( -0.188 1.308 -0.298) 1.355 8.899 ( -0.149 -0.897 -0.860) 1.251 13.083 ( 1.292 13.874 -0.096) 13.934 13.115 ( -0.580 8.315 -0.807) 8.374 13.309 ( -0.624 -9.136 1.366) 9.259 13.373 ( 0.394 -13.112 -0.271) 13.121 17.048 ( -2.228 0.493 3.479) 4.161 17.059 ( -2.185 -0.667 4.123) 4.714 17.189 ( 0.731 4.145 -2.465) 4.878 17.235 ( -1.760 3.663 -2.613) 4.831 17.277 ( 3.069 -1.750 -2.839) 4.533 17.320 ( 0.749 -1.945 -1.876) 2.804 17.404 ( -0.774 0.187 0.137) 0.808 17.433 ( 0.588 -2.272 -0.011) 2.347 17.556 ( -4.278 0.130 3.173) 5.328 17.574 ( -4.810 -1.679 3.835) 6.377 17.785 ( 5.426 2.919 -1.874) 6.440 17.837 ( 5.304 -1.942 -4.092) 6.975 18.011 ( 2.001 0.571 -2.132) 2.980 18.027 ( 0.745 -0.789 -0.932) 1.430 18.055 ( -1.331 1.344 -1.225) 2.254 18.085 ( -1.387 -1.457 -1.292) 2.391 18.758 ( -0.768 0.906 0.997) 1.551 18.786 ( -1.185 -1.398 1.085) 2.129 18.827 ( 0.495 1.635 -0.563) 1.799 18.896 ( 1.051 -4.685 -1.214) 4.953 19.247 ( -4.272 -0.257 3.277) 5.390 19.289 ( -3.122 -4.135 3.710) 6.372 19.423 ( 3.646 4.221 -0.278) 5.584 19.508 ( 3.419 -4.096 -0.927) 5.416 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -10.470 10.046 3.371) 14.896 1.725 ( -9.492 -9.880 6.971) 15.373 1.881 ( 1.518 5.116 6.002) 8.031 1.898 ( 4.111 5.080 0.769) 6.580 1.993 ( -2.755 5.910 -5.418) 8.478 2.064 ( -5.074 0.456 -3.232) 6.034 2.131 ( -4.216 -1.743 -2.106) 5.025 2.229 ( 2.884 -7.473 2.647) 8.437 2.384 ( -2.335 0.082 -2.925) 3.743 2.402 ( 2.755 -1.655 -1.094) 3.395 2.448 ( 4.523 9.840 -4.333) 11.665 2.591 ( 1.364 1.134 -2.093) 2.743 2.659 ( -4.805 -2.247 -2.769) 5.984 2.723 ( 1.056 -9.333 -8.125) 12.420 2.847 ( -2.183 14.910 10.639) 18.447 2.948 ( 0.299 5.257 2.810) 5.969 3.036 ( -1.104 -0.128 3.445) 3.620 3.158 ( 2.662 -7.837 9.257) 12.418 3.220 ( -0.241 1.849 -5.152) 5.479 3.244 ( -0.209 -3.416 -8.343) 9.018 3.481 ( 0.382 5.930 2.509) 6.450 3.504 ( 1.744 4.544 -2.249) 5.362 3.547 ( 1.873 3.590 3.875) 5.604 3.671 ( 1.795 -4.625 1.601) 5.213 3.791 ( 2.910 1.482 1.342) 3.530 3.843 ( -0.492 -3.342 -3.120) 4.598 3.891 ( -1.807 1.941 0.881) 2.794 3.931 ( 0.038 -1.443 4.295) 4.531 4.009 ( -0.615 -1.096 0.919) 1.557 4.028 ( -0.980 -4.007 -1.514) 4.394 4.085 ( -1.391 -0.990 -2.841) 3.315 4.123 ( -1.144 -3.908 -1.640) 4.389 4.364 ( -0.000 7.150 -0.813) 7.196 4.456 ( 0.778 6.048 -1.284) 6.232 4.543 ( -1.066 -8.878 -1.042) 9.002 4.577 ( 0.081 -5.399 -0.806) 5.459 5.047 ( -1.182 7.058 -0.676) 7.189 5.146 ( 3.200 2.853 -0.503) 4.316 5.197 ( 1.644 -5.253 1.335) 5.663 5.233 ( 0.680 -3.664 -1.167) 3.905 5.409 ( -0.561 -3.609 -0.432) 3.678 5.419 ( 0.447 -4.604 1.259) 4.794 5.628 ( -0.742 2.570 1.193) 2.929 5.697 ( -1.722 -3.870 -0.562) 4.273 5.864 ( -0.539 5.453 7.406) 9.212 5.981 ( 0.424 -5.848 9.648) 11.291 6.019 ( 4.219 0.893 6.028) 7.411 6.067 ( 5.317 -3.488 7.395) 9.753 6.238 ( -3.541 3.601 -6.568) 8.285 6.319 ( -2.767 -3.387 -7.356) 8.558 6.443 ( -0.731 3.556 -9.939) 10.581 6.529 ( -1.109 -3.867 -9.293) 10.126 6.771 ( -3.987 0.157 0.693) 4.050 6.781 ( -2.861 -0.785 1.081) 3.157 6.970 ( 0.516 4.141 0.156) 4.176 7.048 ( 0.226 -3.048 0.215) 3.064 7.115 ( 0.580 1.646 2.179) 2.792 7.141 ( 1.286 -0.514 0.482) 1.466 7.275 ( 2.349 1.395 -3.752) 4.641 7.313 ( 1.418 -2.305 -3.341) 4.299 7.530 ( 1.600 2.175 3.829) 4.686 7.553 ( 0.646 -0.190 2.361) 2.455 7.655 ( 0.478 -0.522 0.830) 1.091 7.667 ( 0.946 -1.684 0.166) 1.938 7.779 ( -0.956 0.641 -0.900) 1.461 7.793 ( -1.764 -0.759 -0.607) 2.014 7.874 ( 3.399 4.286 1.900) 5.791 7.930 ( 2.666 -1.132 2.225) 3.653 8.044 ( 0.879 4.201 0.034) 4.292 8.103 ( -0.257 -1.558 -1.052) 1.897 8.135 ( -0.788 -0.542 -1.634) 1.893 8.155 ( 0.695 -2.454 -0.146) 2.555 8.368 ( -0.417 0.937 1.680) 1.969 8.390 ( -1.089 -0.820 1.807) 2.263 8.468 ( -1.542 2.471 -0.247) 2.923 8.515 ( -0.862 -2.025 -0.494) 2.256 8.757 ( 0.380 1.700 -0.727) 1.888 8.775 ( 1.172 0.180 -0.994) 1.548 8.863 ( -0.808 0.764 -0.119) 1.119 8.889 ( 0.147 -1.547 -0.701) 1.704 13.054 ( -2.573 11.147 -1.249) 11.508 13.143 ( 2.754 11.937 0.231) 12.253 13.290 ( -2.128 -10.334 0.497) 10.562 13.411 ( 2.971 -12.178 0.558) 12.548 17.031 ( -2.708 1.232 1.847) 3.502 17.056 ( -2.689 -1.172 3.554) 4.608 17.099 ( -6.298 1.805 -1.504) 6.722 17.128 ( -5.243 -0.866 -0.388) 5.328 17.312 ( 0.765 2.042 -0.234) 2.193 17.344 ( 2.096 0.060 1.416) 2.530 17.381 ( -0.314 1.510 -1.437) 2.108 17.445 ( 0.256 -3.493 0.252) 3.512 17.488 ( -4.042 0.185 0.052) 4.047 17.506 ( -3.461 -1.819 -0.736) 3.979 17.884 ( 4.584 1.803 -1.357) 5.110 17.912 ( 4.784 -0.948 -2.691) 5.570 17.987 ( -1.292 0.983 -2.731) 3.177 18.011 ( -1.323 -1.119 -1.540) 2.318 18.051 ( 2.196 0.947 -0.044) 2.392 18.077 ( 1.710 -1.348 0.155) 2.183 18.735 ( -2.249 0.090 1.119) 2.513 18.758 ( -2.549 -2.123 1.069) 3.485 18.843 ( 1.472 1.981 -0.480) 2.515 18.903 ( 0.663 -3.863 -0.926) 4.027 19.193 ( -3.760 0.836 1.735) 4.225 19.252 ( -4.023 -4.816 2.651) 6.812 19.529 ( 6.491 3.498 0.576) 7.396 19.593 ( 5.465 -2.822 -0.514) 6.172 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -7.357 7.235 2.827) 10.699 1.569 ( -12.303 -12.439 5.594) 18.368 1.816 ( -0.951 5.442 -2.879) 6.230 1.874 ( -4.701 2.279 -5.985) 7.944 1.898 ( -2.304 -0.460 -3.416) 4.146 1.992 ( -5.048 -4.879 3.124) 7.684 2.138 ( 6.322 10.696 3.514) 12.913 2.295 ( 0.555 1.869 -2.332) 3.039 2.369 ( -1.033 -3.187 -0.341) 3.368 2.452 ( 3.778 -4.676 0.284) 6.018 2.490 ( 2.765 3.910 -0.240) 4.795 2.536 ( -1.647 -0.004 -3.148) 3.553 2.646 ( 3.128 1.684 1.881) 4.020 2.741 ( 3.037 -6.411 -1.694) 7.293 2.835 ( -5.836 11.408 4.414) 13.553 2.990 ( -1.538 0.005 1.631) 2.242 3.091 ( 3.321 3.004 -2.984) 5.382 3.120 ( -2.136 3.168 -3.109) 4.926 3.168 ( -2.532 -2.067 -0.709) 3.345 3.270 ( 0.664 -5.334 5.278) 7.534 3.467 ( 0.698 6.016 -2.110) 6.413 3.551 ( -1.291 -4.368 7.013) 8.362 3.602 ( 2.999 5.983 -1.044) 6.773 3.705 ( 1.264 -0.841 -3.467) 3.785 3.769 ( 0.955 4.181 -3.444) 5.500 3.862 ( 1.813 0.454 0.544) 1.947 3.895 ( 0.141 1.965 2.282) 3.015 3.970 ( -2.388 -4.717 -1.548) 5.509 3.989 ( 0.103 0.580 4.281) 4.321 4.035 ( 1.007 -3.443 3.602) 5.084 4.061 ( -0.844 0.993 2.091) 2.464 4.119 ( 0.870 -5.443 0.574) 5.542 4.356 ( 0.635 4.360 -1.389) 4.619 4.451 ( 0.656 4.908 -1.548) 5.188 4.495 ( -2.328 -7.155 -2.407) 7.900 4.564 ( -0.475 -5.180 -1.254) 5.351 5.040 ( 0.373 7.665 1.187) 7.765 5.196 ( 1.930 -5.362 -0.122) 5.700 5.231 ( 3.053 2.992 0.219) 4.281 5.308 ( 4.141 -2.905 1.327) 5.230 5.380 ( -0.488 -3.259 -1.799) 3.754 5.414 ( -1.486 -6.704 -0.135) 6.868 5.612 ( -1.976 0.150 1.120) 2.276 5.639 ( -3.713 -2.358 0.052) 4.399 5.860 ( -2.322 5.512 -4.965) 7.773 5.969 ( -2.828 -4.826 -5.914) 8.140 6.096 ( -1.998 4.758 -1.246) 5.309 6.140 ( 1.853 1.802 4.613) 5.288 6.252 ( 0.754 -0.669 -1.685) 1.964 6.301 ( 1.017 -5.516 6.479) 8.570 6.408 ( 4.574 -0.216 3.797) 5.949 6.430 ( 0.164 -2.169 -3.569) 4.180 6.712 ( -2.800 0.824 0.590) 2.978 6.740 ( -2.707 -1.750 1.029) 3.383 6.982 ( 0.672 3.707 -0.167) 3.771 7.055 ( 0.179 -3.263 -0.033) 3.268 7.135 ( -0.635 1.775 1.673) 2.521 7.162 ( 0.597 -0.868 0.625) 1.225 7.286 ( 2.459 0.889 -3.691) 4.523 7.311 ( 1.727 -1.650 -3.116) 3.927 7.576 ( 0.248 1.416 0.493) 1.520 7.593 ( 0.818 1.619 3.001) 3.507 7.629 ( -1.641 0.154 -1.466) 2.205 7.682 ( 0.450 -3.042 0.176) 3.080 7.766 ( 0.945 0.641 -1.487) 1.875 7.781 ( 1.096 -0.887 -0.898) 1.671 7.943 ( 1.576 5.947 1.145) 6.258 8.002 ( 2.327 1.142 1.299) 2.899 8.054 ( 0.119 0.657 -0.660) 0.938 8.073 ( -0.377 -0.671 -1.920) 2.068 8.120 ( -0.069 -0.438 -0.309) 0.540 8.160 ( -0.781 -2.006 0.681) 2.258 8.380 ( 0.109 -0.023 0.884) 0.891 8.389 ( -0.567 -0.546 1.740) 1.910 8.434 ( -1.609 2.567 -0.171) 3.034 8.488 ( -1.289 -2.659 -0.426) 2.985 8.763 ( 0.777 2.338 -0.453) 2.505 8.791 ( 1.319 0.054 -0.586) 1.444 8.848 ( -0.852 1.174 0.380) 1.499 8.890 ( 0.247 -2.401 -0.067) 2.414 13.004 ( -1.394 11.861 -0.197) 11.945 13.181 ( 1.478 10.464 -1.238) 10.640 13.264 ( -1.205 -8.962 1.329) 9.140 13.462 ( 1.862 -12.232 -0.478) 12.382 16.972 ( -3.395 0.760 0.260) 3.488 16.989 ( -3.104 -0.677 0.369) 3.198 17.056 ( -2.700 -0.413 3.823) 4.698 17.066 ( -3.406 -1.472 4.049) 5.492 17.321 ( -2.670 0.399 0.868) 2.836 17.329 ( -3.225 -0.611 -0.798) 3.378 17.355 ( -0.712 1.402 -1.470) 2.152 17.382 ( -2.163 -1.457 -2.481) 3.599 17.478 ( 2.949 1.653 0.869) 3.491 17.513 ( 2.247 -1.887 0.663) 3.008 17.909 ( 0.630 1.451 -1.037) 1.891 17.937 ( 0.522 -0.995 -1.090) 1.565 17.967 ( 1.810 0.548 -3.150) 3.674 17.987 ( 1.308 -1.403 -2.807) 3.400 18.093 ( 1.294 1.647 0.063) 2.095 18.117 ( 1.313 -0.553 0.731) 1.601 18.708 ( -1.797 -0.562 1.338) 2.310 18.725 ( -1.953 -2.019 1.014) 2.986 18.864 ( 1.352 1.099 -0.728) 1.888 18.899 ( -0.113 -2.296 -0.940) 2.483 19.161 ( -1.596 0.408 2.673) 3.140 19.210 ( -3.253 -4.234 3.499) 6.383 19.633 ( 4.277 2.151 -1.782) 5.109 19.665 ( 3.400 -1.120 -2.874) 4.591 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.790 0.908 0.954) 1.536 1.426 ( -7.258 -10.753 5.225) 13.986 1.738 ( 1.508 6.182 -8.368) 10.513 1.835 ( 3.361 -3.574 -2.591) 5.548 1.955 ( 4.211 4.836 6.121) 8.865 2.015 ( 0.168 -1.052 6.157) 6.249 2.124 ( -2.278 4.130 -0.658) 4.763 2.260 ( -2.070 -8.167 -3.126) 8.987 2.370 ( 2.702 10.390 -0.546) 10.750 2.478 ( -2.251 0.126 -3.342) 4.032 2.564 ( 3.803 0.853 1.930) 4.349 2.584 ( 4.739 0.286 2.873) 5.550 2.682 ( 0.047 1.222 1.145) 1.675 2.727 ( -4.293 4.220 -1.669) 6.247 2.754 ( -1.367 0.001 -2.221) 2.608 2.950 ( -3.695 2.787 -5.533) 7.214 2.972 ( -1.329 -0.780 -0.488) 1.616 3.018 ( -4.653 -5.640 -5.064) 8.894 3.255 ( 2.427 2.890 2.434) 4.491 3.313 ( 1.273 -1.821 1.791) 2.854 3.480 ( 1.132 4.148 -0.532) 4.332 3.581 ( -2.323 -5.412 3.283) 6.743 3.655 ( 2.299 6.722 -3.416) 7.883 3.697 ( 3.213 3.719 4.321) 6.543 3.788 ( 1.484 -0.248 -0.050) 1.506 3.844 ( -2.469 -2.923 -2.072) 4.351 3.921 ( -0.412 5.018 3.199) 5.965 3.957 ( -0.672 0.050 1.899) 2.015 4.028 ( -3.000 2.412 3.817) 5.421 4.054 ( 0.646 1.177 3.262) 3.528 4.098 ( -0.536 -3.922 4.020) 5.642 4.151 ( 0.437 -6.273 3.523) 7.208 4.375 ( 2.534 2.572 -1.156) 3.791 4.415 ( -1.268 -0.333 -4.378) 4.570 4.469 ( 2.445 -1.721 -1.197) 3.220 4.540 ( 0.108 -5.105 -2.354) 5.623 5.071 ( 0.197 7.260 3.217) 7.943 5.227 ( 0.219 -7.145 1.138) 7.238 5.253 ( -0.199 4.524 -1.271) 4.704 5.353 ( -2.818 -3.717 -1.193) 4.815 5.373 ( 1.378 -2.852 -0.224) 3.176 5.399 ( 1.226 -4.272 0.180) 4.448 5.588 ( -0.069 0.017 0.120) 0.139 5.604 ( 0.067 -1.540 1.064) 1.873 5.757 ( -1.297 1.724 -5.367) 5.784 5.832 ( -2.098 -4.904 -9.557) 10.944 5.995 ( -2.268 4.539 -8.683) 10.057 6.098 ( -3.258 -5.148 -10.362) 12.020 6.298 ( 1.858 5.820 10.596) 12.231 6.411 ( 1.216 -4.978 10.204) 11.418 6.512 ( 3.745 2.825 6.734) 8.207 6.571 ( 4.470 -2.464 6.081) 7.940 6.677 ( -1.109 0.763 -0.238) 1.367 6.708 ( -0.719 -1.966 0.238) 2.107 6.992 ( 0.417 2.947 0.141) 2.980 7.046 ( -0.643 -1.870 -0.800) 2.134 7.128 ( -1.423 1.327 0.762) 2.090 7.166 ( -1.104 -1.967 0.365) 2.285 7.292 ( 2.430 0.785 -3.791) 4.571 7.312 ( 1.780 -1.328 -3.310) 3.986 7.581 ( 0.221 1.161 -0.073) 1.184 7.597 ( -1.229 3.378 0.037) 3.595 7.610 ( -1.026 -1.139 0.836) 1.746 7.677 ( -1.343 -3.467 0.169) 3.722 7.777 ( 1.390 1.067 -1.427) 2.260 7.799 ( 1.487 -1.061 -0.789) 1.990 7.938 ( -1.793 5.717 -1.013) 6.077 8.000 ( -1.881 0.779 -2.421) 3.163 8.049 ( 0.815 0.274 0.720) 1.121 8.099 ( 2.809 -1.686 0.077) 3.277 8.109 ( -1.105 1.002 0.103) 1.495 8.141 ( -0.879 -1.164 -0.496) 1.541 8.373 ( -1.563 0.649 0.552) 1.780 8.393 ( -1.134 -1.248 0.773) 1.855 8.427 ( 0.975 2.217 0.718) 2.526 8.477 ( 0.656 -2.700 0.070) 2.779 8.772 ( 0.383 2.264 -0.139) 2.300 8.805 ( 0.634 -0.843 -0.907) 1.391 8.845 ( -0.186 2.183 1.383) 2.591 8.894 ( 0.207 -2.387 0.099) 2.398 13.007 ( 0.908 12.170 1.589) 12.307 13.172 ( -0.258 11.622 -2.791) 11.955 13.273 ( 0.029 -10.167 2.559) 10.484 13.459 ( -0.624 -12.573 -2.374) 12.810 16.965 ( 1.310 0.536 2.895) 3.222 16.986 ( 1.285 -1.166 2.714) 3.221 17.046 ( -2.354 -0.527 3.826) 4.523 17.055 ( -2.378 -1.475 4.397) 5.212 17.236 ( -2.158 0.788 -3.674) 4.333 17.244 ( -2.038 -0.036 -3.782) 4.296 17.350 ( 1.051 0.203 -3.166) 3.342 17.372 ( 2.185 -1.699 -2.083) 3.464 17.554 ( 1.453 0.536 4.572) 4.827 17.566 ( 0.491 -0.433 4.705) 4.750 17.924 ( 1.383 1.143 0.605) 1.894 17.939 ( 0.124 0.081 -0.272) 0.310 17.969 ( 1.939 0.117 -3.271) 3.805 17.981 ( 1.463 -0.987 -4.294) 4.643 18.095 ( -0.343 1.781 -0.741) 1.959 18.119 ( -1.131 -0.437 -0.574) 1.342 18.696 ( -0.945 -0.730 1.360) 1.810 18.712 ( -0.314 -2.015 0.926) 2.240 18.878 ( 0.716 -0.263 -0.982) 1.243 18.881 ( -0.257 -0.612 -1.233) 1.400 19.190 ( 0.439 -1.055 4.855) 4.987 19.211 ( -1.621 -3.018 5.796) 6.733 19.626 ( -0.880 2.283 -5.630) 6.138 19.661 ( 0.460 -1.289 -5.121) 5.301 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 5.705 -2.278 3.344) 6.994 1.442 ( 4.129 -7.640 3.958) 9.544 1.693 ( 2.011 13.586 -9.058) 16.452 1.891 ( 2.206 -3.536 -3.911) 5.716 2.021 ( -0.200 0.701 3.402) 3.479 2.070 ( 4.780 -4.214 1.062) 6.460 2.157 ( -2.038 3.386 3.257) 5.121 2.235 ( -2.155 0.884 1.325) 2.680 2.389 ( 0.926 5.431 -2.346) 5.988 2.457 ( 4.829 -0.426 3.953) 6.255 2.523 ( -3.439 3.336 -6.145) 7.792 2.639 ( 2.168 3.596 -0.803) 4.275 2.699 ( 0.457 -2.933 -1.059) 3.152 2.709 ( 4.448 -0.040 -2.025) 4.887 2.795 ( 0.413 -0.623 4.277) 4.342 2.879 ( 0.715 0.833 3.047) 3.239 2.926 ( -1.343 -0.142 -1.548) 2.054 2.972 ( 1.604 2.054 0.668) 2.690 3.258 ( -1.873 1.520 -0.818) 2.547 3.347 ( 2.979 -6.253 -3.177) 7.621 3.452 ( -2.268 4.821 -1.709) 5.595 3.541 ( -1.528 -2.101 -2.339) 3.496 3.693 ( 0.944 7.894 -0.230) 7.953 3.725 ( -6.949 4.178 2.343) 8.440 3.789 ( -5.191 -2.797 5.207) 7.867 3.834 ( 3.651 -1.149 0.168) 3.832 3.922 ( -0.827 0.656 2.711) 2.909 3.930 ( -1.728 1.059 -1.012) 2.265 4.017 ( -2.524 1.529 4.326) 5.237 4.083 ( -1.938 -5.632 0.556) 5.982 4.127 ( 1.906 0.372 2.410) 3.095 4.174 ( -1.542 -5.474 4.021) 6.965 4.389 ( 1.108 4.430 -1.423) 4.783 4.411 ( 2.824 4.751 -2.207) 5.951 4.513 ( 3.151 -5.571 -1.156) 6.504 4.532 ( 1.880 -5.177 -2.595) 6.088 5.101 ( -0.854 5.485 3.008) 6.313 5.209 ( -1.819 3.753 -0.796) 4.246 5.215 ( -3.715 -4.878 -0.377) 6.144 5.299 ( -0.848 -4.256 2.149) 4.843 5.368 ( -0.450 -1.087 -1.929) 2.259 5.405 ( -0.388 -3.582 -0.962) 3.729 5.609 ( 1.044 0.336 -0.666) 1.284 5.624 ( 1.244 -0.595 -2.028) 2.452 5.728 ( 0.246 -1.312 -2.314) 2.671 5.751 ( 1.204 -3.319 0.164) 3.535 5.892 ( -0.195 -0.630 -6.001) 6.037 5.923 ( -3.570 -3.473 -9.198) 10.460 6.445 ( 1.737 4.911 9.885) 11.173 6.527 ( 0.732 -2.283 7.478) 7.852 6.602 ( 0.938 1.754 0.276) 2.008 6.646 ( 1.118 -2.232 0.256) 2.509 6.694 ( 2.717 2.645 2.753) 4.686 6.747 ( 3.140 -2.372 0.469) 3.963 6.998 ( -0.603 2.762 1.290) 3.108 7.022 ( -0.559 1.287 -1.335) 1.937 7.104 ( -1.569 -0.647 0.553) 1.785 7.134 ( -1.502 -2.496 -0.785) 3.017 7.299 ( 2.100 0.701 -3.594) 4.221 7.317 ( 2.124 -1.098 -2.845) 3.716 7.554 ( -4.084 3.511 1.607) 5.620 7.573 ( -1.574 -0.181 0.550) 1.677 7.594 ( -0.379 -1.335 -1.520) 2.058 7.637 ( -2.366 -3.533 -0.664) 4.304 7.780 ( 0.320 2.322 -1.488) 2.776 7.816 ( 0.730 -1.257 0.016) 1.453 7.892 ( -1.988 3.014 0.292) 3.622 7.929 ( -2.981 -0.483 -1.615) 3.425 8.060 ( -0.628 2.288 -0.063) 2.374 8.096 ( 0.744 -0.163 -1.068) 1.312 8.134 ( 0.764 -0.061 -0.368) 0.850 8.152 ( 1.869 -1.374 1.100) 2.568 8.351 ( -0.972 0.854 0.284) 1.325 8.373 ( -1.391 -1.353 1.134) 2.248 8.464 ( 1.575 1.663 0.954) 2.482 8.499 ( 1.324 -1.717 -0.279) 2.185 8.771 ( -0.303 1.734 -0.237) 1.776 8.799 ( -0.032 -1.081 -0.860) 1.382 8.862 ( 0.335 2.130 1.180) 2.458 8.900 ( 0.368 -1.535 0.001) 1.578 13.059 ( 2.047 11.726 2.300) 12.123 13.123 ( -1.152 12.997 -3.437) 13.493 13.306 ( 0.018 -11.156 2.816) 11.506 13.408 ( -1.417 -13.145 -2.599) 13.474 17.043 ( -1.441 0.078 3.463) 3.751 17.045 ( -1.316 -0.123 4.493) 4.683 17.074 ( 5.385 1.439 4.669) 7.271 17.103 ( 4.268 -1.207 4.286) 6.168 17.189 ( 1.999 0.923 -4.975) 5.440 17.206 ( 2.808 -0.464 -4.109) 4.999 17.345 ( 1.789 0.145 -2.978) 3.477 17.382 ( 1.841 -3.133 -3.414) 4.986 17.604 ( -1.423 0.237 5.499) 5.685 17.615 ( -1.701 -0.590 6.014) 6.278 17.898 ( -2.287 2.240 -4.552) 5.564 17.927 ( -0.393 -0.667 -5.169) 5.226 17.983 ( 2.545 0.642 -0.715) 2.721 17.986 ( 2.250 0.174 -1.977) 3.001 18.080 ( -1.307 0.597 -0.314) 1.471 18.092 ( 0.037 -0.428 0.802) 0.910 18.704 ( 0.497 0.032 1.215) 1.314 18.732 ( 1.195 -2.530 1.405) 3.130 18.856 ( -0.755 1.011 -0.967) 1.590 18.887 ( 1.003 -2.104 -1.216) 2.629 19.251 ( -1.455 -1.953 6.941) 7.356 19.256 ( 0.197 -2.421 5.922) 6.400 19.519 ( -3.141 3.452 -6.488) 7.992 19.585 ( -1.941 -2.973 -6.160) 7.110 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.894 4.857 2.755) 6.808 1.605 ( 7.451 -3.831 4.732) 9.623 1.693 ( 4.633 8.364 2.287) 9.831 1.859 ( -2.616 -0.090 0.264) 2.631 1.996 ( -2.645 -0.709 -3.264) 4.261 2.080 ( 2.747 9.743 -4.213) 10.964 2.112 ( -3.567 0.535 -3.699) 5.166 2.332 ( 7.726 -7.697 4.700) 11.875 2.370 ( 0.165 3.320 -2.493) 4.155 2.483 ( 0.216 0.285 -2.809) 2.832 2.582 ( 4.384 -1.127 -3.272) 5.586 2.641 ( -0.365 -9.162 -4.760) 10.331 2.689 ( 0.698 4.865 6.430) 8.094 2.744 ( 0.471 5.395 1.800) 5.707 2.873 ( -0.498 2.107 1.551) 2.663 2.891 ( 0.309 1.124 -1.832) 2.172 2.956 ( 1.670 1.238 5.563) 5.939 3.054 ( 1.432 -4.924 3.329) 6.114 3.210 ( 1.459 7.056 -3.111) 7.849 3.371 ( 1.888 -5.278 -3.886) 6.821 3.404 ( -1.609 3.894 -0.701) 4.271 3.488 ( -0.549 -3.827 -0.230) 3.873 3.596 ( -4.903 13.730 0.284) 14.582 3.648 ( -6.445 0.832 1.331) 6.634 3.724 ( -6.051 -5.888 4.355) 9.500 3.858 ( -1.630 -4.540 2.968) 5.663 3.905 ( 0.447 1.008 -0.954) 1.458 3.932 ( -1.369 -1.849 -0.217) 2.310 4.021 ( 1.076 2.410 0.821) 2.764 4.076 ( 0.814 -3.644 -0.044) 3.734 4.158 ( -0.170 -0.448 -0.751) 0.891 4.190 ( 1.067 -3.401 -0.544) 3.606 4.387 ( -0.465 7.173 -0.196) 7.191 4.433 ( 1.800 5.750 -2.118) 6.387 4.544 ( 1.630 -7.233 -1.369) 7.540 4.565 ( 2.361 -6.716 -0.151) 7.121 5.078 ( -2.327 2.602 -0.076) 3.492 5.137 ( -2.934 -2.763 0.084) 4.031 5.186 ( -1.081 7.726 0.176) 7.803 5.333 ( -0.077 -1.655 -0.653) 1.780 5.355 ( 1.967 -5.527 2.497) 6.376 5.375 ( -1.104 -5.529 -2.128) 6.027 5.603 ( 0.366 0.844 0.623) 1.111 5.649 ( 1.074 -3.859 1.894) 4.431 5.708 ( 0.100 3.207 0.515) 3.249 5.791 ( -0.296 -4.392 0.032) 4.402 5.846 ( 1.491 -0.511 1.058) 1.898 5.879 ( 1.429 -4.070 -0.288) 4.323 6.511 ( -0.946 1.548 1.189) 2.169 6.529 ( -3.230 -0.079 -1.569) 3.592 6.611 ( 0.808 3.849 -2.973) 4.930 6.672 ( 0.168 -1.734 -0.085) 1.744 6.765 ( 2.212 1.377 1.224) 2.879 6.799 ( 3.080 -2.176 -0.276) 3.781 6.994 ( -0.895 3.459 0.438) 3.599 7.013 ( 0.962 2.712 -1.025) 3.054 7.083 ( -0.597 -0.903 -0.297) 1.123 7.115 ( -0.422 -2.715 0.459) 2.785 7.296 ( 1.304 0.819 -3.534) 3.855 7.322 ( 1.307 -1.640 -2.944) 3.614 7.497 ( -3.923 2.950 2.813) 5.658 7.542 ( -3.288 -2.042 2.314) 4.509 7.573 ( 0.516 -0.450 -0.252) 0.730 7.601 ( -0.330 -2.728 -0.184) 2.754 7.767 ( 0.174 3.828 -0.940) 3.945 7.828 ( 0.605 -1.728 -0.060) 1.832 7.870 ( -2.465 0.363 0.317) 2.511 7.878 ( -1.529 -0.072 2.542) 2.967 8.044 ( -0.261 2.994 -1.021) 3.174 8.102 ( 1.214 -2.446 -1.613) 3.172 8.147 ( 0.563 1.625 -0.534) 1.801 8.180 ( 0.013 -1.459 0.764) 1.647 8.348 ( 0.110 1.093 0.631) 1.267 8.372 ( -0.524 -1.356 2.134) 2.582 8.492 ( 0.471 1.400 0.402) 1.531 8.516 ( 1.088 -0.847 -0.670) 1.532 8.763 ( 0.091 1.217 -0.626) 1.372 8.786 ( -0.544 -1.095 -0.711) 1.414 8.875 ( 0.279 1.980 0.157) 2.005 8.905 ( 0.165 -0.913 -0.313) 0.979 13.077 ( -0.108 13.872 -1.842) 13.995 13.112 ( 1.165 9.151 0.816) 9.261 13.310 ( -0.995 -9.506 0.814) 9.593 13.379 ( -0.451 -13.649 -0.133) 13.657 17.049 ( -1.797 0.256 3.801) 4.212 17.057 ( -2.055 -0.677 4.438) 4.937 17.167 ( 3.417 4.118 -2.406) 5.867 17.196 ( 4.601 4.051 -3.586) 7.102 17.256 ( 5.034 -2.326 1.730) 5.809 17.293 ( 4.895 -2.683 0.472) 5.602 17.366 ( 2.863 -0.562 -0.048) 2.918 17.386 ( 2.494 -2.498 -1.560) 3.860 17.605 ( -4.170 0.121 3.999) 5.779 17.613 ( -4.173 -0.638 5.411) 6.863 17.794 ( -1.779 3.203 -5.709) 6.783 17.848 ( -0.160 -1.802 -7.094) 7.321 17.999 ( 1.969 0.492 -2.689) 3.369 18.014 ( 1.514 -0.873 -1.189) 2.113 18.073 ( -0.143 1.943 0.490) 2.008 18.106 ( -0.240 -1.143 0.729) 1.376 18.736 ( 1.391 1.018 1.160) 2.078 18.773 ( 1.085 -2.273 1.562) 2.964 18.835 ( -0.506 1.651 -0.683) 1.857 18.892 ( 0.847 -3.757 -1.282) 4.059 19.275 ( -3.170 -1.313 5.692) 6.647 19.295 ( -1.992 -3.188 4.973) 6.234 19.420 ( -1.092 4.041 -3.753) 5.622 19.504 ( -0.422 -4.128 -3.895) 5.691 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 8.629 0.000 24.067) 25.567 1.081 ( -12.415 0.000 26.951) 29.673 1.312 ( -6.803 0.000 -23.336) 24.308 1.373 ( 2.663 0.000 30.909) 31.024 1.584 ( 10.658 0.000 -24.728) 26.927 1.810 ( -6.071 0.000 -12.026) 13.472 2.049 ( -0.017 0.000 3.769) 3.769 2.121 ( -1.046 0.000 -3.108) 3.279 2.191 ( -7.486 0.000 -3.464) 8.248 2.201 ( 5.427 0.000 -2.319) 5.902 2.417 ( -7.973 0.000 7.231) 10.764 2.440 ( -1.164 0.000 7.896) 7.981 2.618 ( 8.129 0.000 -4.269) 9.182 2.696 ( 4.598 0.000 -9.711) 10.745 2.724 ( -1.489 0.000 4.605) 4.840 2.814 ( -0.284 0.000 -4.970) 4.978 2.896 ( 0.060 0.000 7.236) 7.236 3.036 ( 0.568 0.000 -6.410) 6.435 3.197 ( -1.604 0.000 -1.606) 2.270 3.224 ( 2.957 0.000 -1.133) 3.166 3.352 ( 5.438 0.000 5.311) 7.602 3.411 ( -3.975 0.000 0.013) 3.975 3.594 ( -1.450 0.000 1.332) 1.969 3.659 ( -0.232 0.000 -4.064) 4.070 3.802 ( 5.524 0.000 1.866) 5.831 3.847 ( -3.223 0.000 -2.222) 3.915 4.029 ( 0.131 0.000 -1.861) 1.866 4.037 ( -3.546 0.000 -2.520) 4.350 4.154 ( 5.151 0.000 3.288) 6.111 4.185 ( 1.152 0.000 3.880) 4.048 4.218 ( -2.430 0.000 -3.497) 4.258 4.255 ( -0.821 0.000 -3.117) 3.223 4.428 ( 0.266 0.000 3.188) 3.199 4.465 ( -0.493 0.000 -0.481) 0.689 4.704 ( -2.054 0.000 1.390) 2.480 4.720 ( 0.758 0.000 -0.240) 0.795 4.956 ( -1.937 0.000 3.523) 4.021 4.963 ( 3.048 0.000 3.813) 4.882 5.216 ( -1.602 0.000 -0.334) 1.636 5.295 ( -0.849 0.000 -7.075) 7.126 5.783 ( -2.584 0.000 0.864) 2.724 5.823 ( 0.597 0.000 -3.193) 3.248 5.878 ( 0.746 0.000 2.245) 2.365 5.908 ( -1.906 0.000 -0.592) 1.996 6.050 ( 2.315 0.000 -0.056) 2.316 6.074 ( -0.803 0.000 -1.773) 1.947 6.247 ( -1.277 0.000 4.636) 4.809 6.292 ( 4.649 0.000 2.856) 5.457 6.340 ( 4.470 0.000 1.578) 4.740 6.404 ( -4.042 0.000 -1.576) 4.338 6.632 ( 2.472 0.000 -1.991) 3.174 6.634 ( -1.522 0.000 -2.274) 2.736 6.774 ( -0.619 0.000 0.576) 0.846 6.787 ( 1.463 0.000 -1.094) 1.827 7.065 ( 1.459 0.000 3.473) 3.767 7.095 ( 1.362 0.000 0.903) 1.634 7.215 ( -0.530 0.000 0.044) 0.531 7.222 ( -0.389 0.000 -0.070) 0.395 7.329 ( -6.863 0.000 0.038) 6.863 7.336 ( 5.912 0.000 -1.190) 6.031 7.434 ( -0.937 0.000 1.711) 1.950 7.467 ( 0.667 0.000 -1.924) 2.037 7.523 ( -1.734 0.000 5.016) 5.307 7.607 ( 2.003 0.000 -3.299) 3.860 7.789 ( -1.584 0.000 -1.167) 1.968 7.789 ( 0.586 0.000 -0.894) 1.069 7.859 ( 0.379 0.000 2.672) 2.699 7.908 ( -2.129 0.000 -2.290) 3.127 8.102 ( 1.160 0.000 1.473) 1.875 8.115 ( -3.162 0.000 0.821) 3.267 8.120 ( 1.096 0.000 -1.054) 1.520 8.127 ( 0.653 0.000 0.035) 0.654 8.324 ( -4.577 0.000 -0.704) 4.631 8.339 ( 3.832 0.000 -2.407) 4.525 8.501 ( -1.880 0.000 -1.096) 2.176 8.503 ( 2.302 0.000 -1.459) 2.725 8.672 ( 1.352 0.000 1.586) 2.084 8.678 ( -2.244 0.000 0.809) 2.385 8.924 ( 2.587 0.000 1.815) 3.160 8.947 ( -1.906 0.000 -0.683) 2.024 12.210 ( -0.265 0.000 0.137) 0.299 12.214 ( 0.281 0.000 -0.216) 0.355 13.833 ( -2.234 0.000 6.331) 6.714 13.967 ( 3.180 0.000 -7.389) 8.044 16.988 ( 2.792 0.000 4.346) 5.166 17.062 ( -1.210 0.000 -1.650) 2.046 17.066 ( 1.016 0.000 3.931) 4.060 17.116 ( -2.881 0.000 1.508) 3.252 17.133 ( -4.546 0.000 1.106) 4.679 17.166 ( -2.442 0.000 -0.847) 2.585 17.199 ( 3.065 0.000 -4.602) 5.529 17.239 ( 1.711 0.000 -5.049) 5.331 17.776 ( 2.621 0.000 8.768) 9.151 17.906 ( -0.381 0.000 -4.854) 4.868 17.916 ( 0.300 0.000 3.453) 3.466 17.986 ( -1.599 0.000 -3.580) 3.921 18.061 ( -0.180 0.000 0.649) 0.673 18.068 ( 0.657 0.000 -0.079) 0.662 18.140 ( 0.662 0.000 1.555) 1.690 18.165 ( -0.426 0.000 -0.992) 1.079 18.688 ( -0.788 0.000 1.330) 1.546 18.718 ( 0.350 0.000 -1.743) 1.778 19.098 ( -2.890 0.000 3.594) 4.612 19.159 ( 8.079 0.000 -1.807) 8.279 19.284 ( -1.892 0.000 4.754) 5.116 19.429 ( -2.244 0.000 -9.113) 9.385 19.699 ( 0.261 0.000 4.262) 4.270 19.775 ( 0.210 0.000 -3.505) 3.511 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -1.102 0.000 -20.491) 20.521 1.184 ( 3.237 0.000 25.308) 25.514 1.199 ( -5.216 0.000 24.190) 24.746 1.570 ( 13.711 0.000 -23.047) 26.818 1.694 ( 8.950 0.000 -15.871) 18.221 1.859 ( 10.397 0.000 15.461) 18.631 2.019 ( -9.486 0.000 2.306) 9.763 2.084 ( -3.916 0.000 3.825) 5.474 2.105 ( 2.662 0.000 4.082) 4.874 2.232 ( -1.695 0.000 -0.474) 1.760 2.377 ( 4.557 0.000 4.608) 6.481 2.485 ( 0.209 0.000 4.279) 4.284 2.650 ( 2.412 0.000 -11.365) 11.618 2.651 ( 0.689 0.000 1.139) 1.331 2.795 ( 0.589 0.000 -4.061) 4.104 2.812 ( 4.032 0.000 0.420) 4.054 2.956 ( -1.307 0.000 6.496) 6.626 2.966 ( -0.268 0.000 -8.525) 8.529 3.184 ( 1.338 0.000 1.066) 1.711 3.226 ( -7.145 0.000 -2.071) 7.439 3.340 ( 5.269 0.000 -6.373) 8.269 3.476 ( 2.904 0.000 3.427) 4.492 3.568 ( -6.386 0.000 -2.638) 6.909 3.603 ( -1.065 0.000 4.743) 4.861 3.762 ( -0.157 0.000 -3.488) 3.492 3.830 ( -4.601 0.000 -0.172) 4.604 3.993 ( -0.630 0.000 2.759) 2.830 4.048 ( 0.529 0.000 2.547) 2.601 4.138 ( -0.561 0.000 -4.107) 4.145 4.200 ( -0.133 0.000 -3.398) 3.401 4.237 ( -0.211 0.000 2.589) 2.597 4.259 ( 3.033 0.000 0.544) 3.081 4.449 ( -1.090 0.000 1.681) 2.004 4.451 ( 0.907 0.000 -1.508) 1.760 4.703 ( -0.144 0.000 2.782) 2.785 4.745 ( 0.824 0.000 -0.033) 0.825 4.920 ( -2.862 0.000 -0.740) 2.956 4.989 ( -1.164 0.000 -2.200) 2.489 5.250 ( 1.004 0.000 7.147) 7.217 5.260 ( 2.459 0.000 -1.367) 2.814 5.698 ( -6.253 0.000 1.925) 6.543 5.732 ( -7.013 0.000 0.530) 7.033 5.931 ( 2.924 0.000 0.155) 2.928 5.954 ( 1.656 0.000 2.081) 2.660 6.011 ( -2.641 0.000 -1.249) 2.922 6.087 ( 1.694 0.000 -2.058) 2.666 6.224 ( -3.166 0.000 -0.611) 3.224 6.289 ( -2.707 0.000 -2.879) 3.952 6.297 ( -2.164 0.000 -3.941) 4.496 6.459 ( 3.296 0.000 2.945) 4.420 6.649 ( 4.211 0.000 -0.881) 4.302 6.669 ( 1.536 0.000 -1.710) 2.299 6.787 ( 1.923 0.000 0.200) 1.933 6.797 ( -1.838 0.000 -0.738) 1.981 6.963 ( -7.239 0.000 0.664) 7.270 7.040 ( -4.602 0.000 -2.470) 5.223 7.189 ( -2.124 0.000 0.123) 2.128 7.212 ( -1.062 0.000 3.426) 3.586 7.245 ( -1.038 0.000 -1.839) 2.111 7.377 ( -1.418 0.000 -1.724) 2.232 7.429 ( -1.644 0.000 1.995) 2.585 7.459 ( 0.595 0.000 -1.908) 1.999 7.535 ( -2.159 0.000 4.209) 4.730 7.619 ( 3.107 0.000 -3.616) 4.767 7.785 ( 1.150 0.000 0.257) 1.179 7.804 ( 0.693 0.000 0.769) 1.035 7.876 ( 0.324 0.000 -1.247) 1.288 7.907 ( 0.907 0.000 3.315) 3.436 8.061 ( -3.846 0.000 1.948) 4.311 8.128 ( 0.820 0.000 -1.182) 1.439 8.135 ( 1.583 0.000 -0.986) 1.865 8.137 ( -0.400 0.000 0.510) 0.648 8.249 ( -3.181 0.000 1.345) 3.454 8.400 ( 3.301 0.000 0.430) 3.329 8.451 ( -2.394 0.000 -0.465) 2.439 8.523 ( 0.881 0.000 0.309) 0.934 8.656 ( -0.846 0.000 -0.254) 0.884 8.713 ( 1.549 0.000 1.321) 2.036 8.892 ( -2.314 0.000 -1.579) 2.801 8.967 ( 0.886 0.000 -0.114) 0.893 12.210 ( 0.043 0.000 0.194) 0.198 12.219 ( 0.513 0.000 -0.219) 0.558 13.903 ( 1.703 0.000 8.333) 8.505 13.994 ( 7.290 0.000 -9.218) 11.752 17.020 ( 2.095 0.000 -4.832) 5.267 17.090 ( 3.118 0.000 1.649) 3.527 17.096 ( -1.073 0.000 2.796) 2.995 17.118 ( -0.415 0.000 0.142) 0.439 17.148 ( 2.544 0.000 1.194) 2.810 17.158 ( -0.663 0.000 3.824) 3.881 17.229 ( 2.351 0.000 -2.380) 3.345 17.268 ( 7.751 0.000 0.907) 7.804 17.791 ( -4.135 0.000 -8.635) 9.574 17.845 ( -2.074 0.000 3.803) 4.332 17.911 ( -2.940 0.000 -2.854) 4.098 17.946 ( -1.796 0.000 4.835) 5.158 18.060 ( -0.102 0.000 0.004) 0.102 18.081 ( 1.386 0.000 -0.534) 1.485 18.145 ( -0.185 0.000 -1.607) 1.618 18.158 ( -0.429 0.000 1.534) 1.593 18.709 ( 1.280 0.000 1.780) 2.193 18.723 ( 1.755 0.000 -0.956) 1.998 18.997 ( -7.829 0.000 -1.296) 7.936 19.127 ( -3.974 0.000 -3.627) 5.380 19.347 ( 0.768 0.000 -4.093) 4.165 19.393 ( 2.093 0.000 8.436) 8.691 19.721 ( -2.073 0.000 2.602) 3.327 19.726 ( -0.995 0.000 -3.324) 3.470 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 22.969 0.000 0.599) 22.977 1.354 ( -4.107 0.000 20.793) 21.194 1.494 ( 4.385 0.000 20.188) 20.659 1.619 ( 9.835 0.000 -13.584) 16.771 1.782 ( 14.511 0.000 -13.339) 19.711 1.840 ( -10.491 0.000 6.605) 12.397 1.877 ( -9.114 0.000 7.226) 11.631 2.036 ( -4.194 0.000 8.065) 9.091 2.218 ( 3.469 0.000 -7.100) 7.903 2.273 ( 7.750 0.000 -3.472) 8.493 2.491 ( -1.802 0.000 -3.002) 3.502 2.536 ( -0.329 0.000 -11.732) 11.736 2.674 ( -0.014 0.000 1.076) 1.076 2.740 ( 4.806 0.000 0.083) 4.807 2.755 ( -8.118 0.000 -0.186) 8.120 2.792 ( 11.111 0.000 3.928) 11.785 2.877 ( -12.377 0.000 -3.315) 12.814 2.892 ( 1.759 0.000 -7.642) 7.842 3.043 ( -4.007 0.000 3.410) 5.262 3.275 ( 4.947 0.000 3.928) 6.317 3.393 ( -8.542 0.000 -2.076) 8.791 3.452 ( 10.069 0.000 -3.917) 10.804 3.546 ( 2.276 0.000 2.242) 3.194 3.620 ( -2.552 0.000 2.534) 3.597 3.730 ( -4.333 0.000 3.252) 5.417 3.792 ( 4.820 0.000 -1.115) 4.948 3.994 ( -1.344 0.000 0.840) 1.584 4.069 ( -1.253 0.000 1.464) 1.927 4.133 ( 0.537 0.000 1.174) 1.291 4.187 ( 0.510 0.000 -1.150) 1.258 4.234 ( -0.790 0.000 0.447) 0.908 4.280 ( 0.131 0.000 -0.524) 0.540 4.432 ( -1.188 0.000 0.043) 1.189 4.481 ( 3.987 0.000 -2.889) 4.924 4.705 ( -3.874 0.000 0.628) 3.924 4.720 ( -3.325 0.000 -0.311) 3.339 4.889 ( 1.419 0.000 -0.022) 1.419 4.911 ( -2.891 0.000 -3.328) 4.408 5.347 ( 4.179 0.000 3.595) 5.513 5.369 ( 2.135 0.000 10.268) 10.487 5.602 ( -5.296 0.000 0.042) 5.296 5.611 ( -4.499 0.000 1.918) 4.891 5.909 ( -5.729 0.000 -3.715) 6.829 5.969 ( -0.537 0.000 -0.190) 0.570 6.007 ( 2.034 0.000 1.967) 2.829 6.068 ( 1.312 0.000 -4.420) 4.611 6.151 ( -7.911 0.000 -0.943) 7.967 6.178 ( 1.948 0.000 -2.459) 3.137 6.321 ( 2.361 0.000 5.617) 6.093 6.478 ( -4.439 0.000 1.055) 4.562 6.628 ( 1.409 0.000 -5.854) 6.021 6.725 ( 4.108 0.000 -3.937) 5.690 6.750 ( -1.320 0.000 0.297) 1.353 6.794 ( -3.789 0.000 -5.528) 6.702 6.921 ( 2.785 0.000 -3.307) 4.323 6.985 ( 3.238 0.000 1.344) 3.506 7.156 ( -2.285 0.000 1.410) 2.685 7.177 ( -2.414 0.000 -1.308) 2.746 7.255 ( 0.797 0.000 2.084) 2.231 7.316 ( -2.204 0.000 -0.924) 2.390 7.417 ( -2.214 0.000 2.924) 3.668 7.459 ( 1.660 0.000 -2.206) 2.760 7.534 ( -2.190 0.000 4.061) 4.614 7.632 ( 2.077 0.000 -3.870) 4.392 7.813 ( -1.207 0.000 1.734) 2.113 7.823 ( 2.311 0.000 0.282) 2.328 7.883 ( 1.616 0.000 -0.830) 1.817 7.957 ( 2.102 0.000 1.622) 2.655 8.015 ( -3.454 0.000 2.634) 4.344 8.086 ( -4.128 0.000 -1.846) 4.522 8.114 ( -1.523 0.000 0.641) 1.652 8.139 ( 0.614 0.000 -2.079) 2.167 8.258 ( 1.238 0.000 2.503) 2.792 8.403 ( -2.023 0.000 -0.346) 2.053 8.466 ( 2.635 0.000 1.150) 2.875 8.554 ( 0.535 0.000 2.904) 2.953 8.635 ( -0.083 0.000 -1.923) 1.925 8.748 ( 0.067 0.000 1.160) 1.162 8.840 ( -1.004 0.000 -1.570) 1.864 8.957 ( -0.300 0.000 -2.511) 2.529 12.214 ( 0.139 0.000 0.297) 0.328 12.226 ( 0.397 0.000 -0.318) 0.508 14.016 ( -1.786 0.000 11.085) 11.228 14.061 ( 9.283 0.000 -7.520) 11.947 17.038 ( 3.947 0.000 -4.087) 5.682 17.111 ( -2.132 0.000 4.139) 4.656 17.116 ( 0.648 0.000 0.845) 1.064 17.126 ( 1.163 0.000 -1.868) 2.200 17.148 ( -0.000 0.000 -3.274) 3.274 17.209 ( 1.965 0.000 3.852) 4.324 17.264 ( 1.058 0.000 -0.465) 1.155 17.462 ( 7.676 0.000 4.385) 8.840 17.609 ( -3.973 0.000 -10.811) 11.518 17.795 ( -4.923 0.000 0.140) 4.925 17.847 ( -0.817 0.000 -0.823) 1.160 17.930 ( -3.642 0.000 2.657) 4.508 18.062 ( 0.295 0.000 0.169) 0.340 18.101 ( 0.991 0.000 -1.317) 1.648 18.135 ( 0.753 0.000 -0.714) 1.038 18.155 ( -1.419 0.000 1.559) 2.108 18.765 ( 2.791 0.000 1.423) 3.133 18.766 ( 3.050 0.000 0.407) 3.077 18.870 ( -3.200 0.000 -1.464) 3.519 18.998 ( -6.124 0.000 -2.493) 6.612 19.354 ( 2.684 0.000 -1.102) 2.901 19.463 ( -3.291 0.000 6.421) 7.215 19.689 ( -2.493 0.000 1.385) 2.852 19.692 ( 0.000 0.000 -1.411) 1.411 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -13.996 0.000 18.137) 22.910 1.503 ( -20.598 0.000 14.287) 25.068 1.596 ( 23.051 0.000 5.440) 23.684 1.686 ( 11.036 0.000 -11.761) 16.128 1.878 ( 1.527 0.000 10.082) 10.197 1.890 ( 1.033 0.000 4.021) 4.152 1.956 ( 9.635 0.000 -0.351) 9.641 2.083 ( -11.568 0.000 -9.081) 14.707 2.137 ( 4.435 0.000 7.432) 8.655 2.210 ( -7.842 0.000 -8.409) 11.498 2.342 ( -7.477 0.000 -7.290) 10.443 2.387 ( 3.870 0.000 -7.825) 8.730 2.574 ( -7.817 0.000 2.719) 8.276 2.649 ( 4.597 0.000 -1.525) 4.843 2.679 ( -2.095 0.000 -0.362) 2.126 2.770 ( 2.617 0.000 -6.926) 7.404 2.924 ( 3.726 0.000 -0.298) 3.737 2.966 ( 0.274 0.000 -3.037) 3.049 3.136 ( 7.104 0.000 4.495) 8.407 3.205 ( -6.991 0.000 -3.599) 7.863 3.417 ( 1.629 0.000 6.635) 6.832 3.498 ( -7.344 0.000 2.646) 7.807 3.591 ( 3.751 0.000 -4.881) 6.155 3.629 ( 6.775 0.000 -2.560) 7.243 3.827 ( 7.790 0.000 4.046) 8.778 3.851 ( -0.676 0.000 0.366) 0.769 3.950 ( -4.481 0.000 2.115) 4.955 4.019 ( -1.229 0.000 -3.504) 3.714 4.157 ( 0.326 0.000 2.386) 2.408 4.201 ( 0.677 0.000 -1.442) 1.593 4.254 ( 1.697 0.000 1.715) 2.413 4.261 ( -1.329 0.000 0.559) 1.441 4.424 ( -0.471 0.000 1.773) 1.834 4.483 ( -0.832 0.000 -3.951) 4.037 4.620 ( -2.557 0.000 -0.438) 2.594 4.665 ( 1.158 0.000 -4.270) 4.424 4.869 ( -0.069 0.000 2.782) 2.783 4.898 ( -1.635 0.000 0.207) 1.648 5.450 ( 3.928 0.000 3.223) 5.081 5.485 ( -4.679 0.000 4.382) 6.411 5.550 ( 4.417 0.000 5.008) 6.677 5.682 ( 2.770 0.000 7.136) 7.655 5.749 ( -0.250 0.000 -8.735) 8.738 5.831 ( -8.745 0.000 -6.104) 10.664 6.023 ( 0.813 0.000 0.274) 0.857 6.041 ( -0.568 0.000 -2.257) 2.327 6.213 ( 5.175 0.000 9.569) 10.878 6.246 ( 3.664 0.000 0.752) 3.740 6.344 ( -8.742 0.000 0.423) 8.752 6.414 ( 0.187 0.000 6.794) 6.797 6.560 ( -3.238 0.000 -12.609) 13.018 6.595 ( 1.156 0.000 -8.728) 8.804 6.736 ( -1.314 0.000 1.730) 2.172 6.778 ( 1.959 0.000 -2.351) 3.060 7.001 ( -3.848 0.000 0.853) 3.942 7.017 ( 5.109 0.000 -0.661) 5.152 7.127 ( -2.219 0.000 1.643) 2.761 7.151 ( 1.397 0.000 -0.926) 1.676 7.290 ( -0.137 0.000 -0.231) 0.268 7.290 ( 1.536 0.000 0.032) 1.536 7.405 ( -2.624 0.000 4.096) 4.865 7.472 ( 2.098 0.000 -2.719) 3.434 7.537 ( -2.164 0.000 4.618) 5.100 7.621 ( 1.181 0.000 -4.074) 4.242 7.805 ( -1.518 0.000 2.422) 2.859 7.856 ( 2.186 0.000 -2.364) 3.220 7.935 ( 3.391 0.000 1.894) 3.884 7.973 ( -4.021 0.000 -1.812) 4.410 7.986 ( -2.410 0.000 2.637) 3.572 8.021 ( 2.640 0.000 -0.786) 2.755 8.099 ( -0.866 0.000 1.190) 1.472 8.124 ( 0.077 0.000 -1.673) 1.675 8.315 ( 2.109 0.000 2.454) 3.236 8.365 ( -0.683 0.000 -2.353) 2.450 8.525 ( 2.111 0.000 1.847) 2.805 8.556 ( -1.986 0.000 -0.693) 2.103 8.651 ( 1.883 0.000 2.463) 3.101 8.710 ( -2.711 0.000 -2.446) 3.652 8.848 ( 0.724 0.000 2.538) 2.639 8.915 ( -0.811 0.000 -3.706) 3.794 12.219 ( -0.028 0.000 0.365) 0.366 12.226 ( 0.053 0.000 -0.404) 0.408 14.021 ( -7.873 0.000 8.643) 11.692 14.185 ( 11.396 0.000 -7.828) 13.826 17.071 ( 2.387 0.000 -1.417) 2.776 17.075 ( -3.396 0.000 -1.986) 3.934 17.101 ( -1.997 0.000 2.356) 3.088 17.132 ( -0.093 0.000 -1.665) 1.667 17.160 ( 1.477 0.000 3.709) 3.993 17.238 ( -0.277 0.000 -3.846) 3.856 17.298 ( 2.282 0.000 5.464) 5.921 17.437 ( -3.574 0.000 -7.365) 8.187 17.642 ( 7.940 0.000 1.200) 8.030 17.681 ( -5.874 0.000 -2.192) 6.270 17.875 ( 3.272 0.000 0.673) 3.341 17.881 ( -2.832 0.000 0.344) 2.853 18.071 ( -0.020 0.000 0.756) 0.756 18.089 ( -0.484 0.000 -1.184) 1.279 18.139 ( -1.757 0.000 1.328) 2.202 18.155 ( 1.437 0.000 -0.284) 1.465 18.822 ( 0.692 0.000 1.124) 1.320 18.825 ( -1.142 0.000 0.670) 1.325 18.846 ( 3.741 0.000 0.619) 3.792 18.872 ( -3.938 0.000 -2.075) 4.451 19.407 ( -6.075 0.000 2.512) 6.574 19.435 ( 6.672 0.000 -0.388) 6.683 19.674 ( -0.884 0.000 1.228) 1.513 19.695 ( 1.301 0.000 -0.820) 1.538 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -29.174 0.000 -3.009) 29.329 1.221 ( -19.178 0.000 20.842) 28.323 1.470 ( -26.027 0.000 13.263) 29.211 1.754 ( 7.601 0.000 -19.496) 20.925 1.854 ( 0.467 0.000 -11.666) 11.675 1.994 ( 7.916 0.000 -0.731) 7.950 2.018 ( 3.819 0.000 -4.565) 5.952 2.064 ( -0.591 0.000 4.072) 4.115 2.174 ( 2.439 0.000 -3.634) 4.376 2.200 ( -5.119 0.000 4.642) 6.911 2.302 ( 4.054 0.000 11.360) 12.061 2.391 ( 1.499 0.000 2.080) 2.564 2.593 ( 2.940 0.000 5.998) 6.680 2.691 ( 0.657 0.000 4.416) 4.465 2.766 ( 5.091 0.000 -2.086) 5.502 2.846 ( 10.975 0.000 -4.009) 11.684 2.880 ( -7.662 0.000 -1.205) 7.756 2.913 ( 1.766 0.000 -7.211) 7.425 3.113 ( 1.924 0.000 -3.312) 3.830 3.258 ( 0.261 0.000 3.147) 3.157 3.395 ( -4.076 0.000 4.199) 5.852 3.417 ( -6.088 0.000 0.561) 6.114 3.599 ( 4.287 0.000 -7.810) 8.909 3.700 ( 2.164 0.000 -5.671) 6.070 3.794 ( 2.444 0.000 -2.958) 3.837 3.795 ( -6.576 0.000 -0.541) 6.599 4.003 ( 0.131 0.000 -0.269) 0.300 4.053 ( 5.500 0.000 2.924) 6.229 4.167 ( -0.389 0.000 -0.902) 0.982 4.167 ( -1.760 0.000 1.588) 2.370 4.258 ( 0.244 0.000 -2.543) 2.555 4.297 ( 1.581 0.000 -1.226) 2.000 4.414 ( -3.081 0.000 3.132) 4.393 4.437 ( -0.233 0.000 -0.763) 0.798 4.663 ( 3.464 0.000 4.654) 5.801 4.685 ( 3.896 0.000 0.302) 3.908 4.872 ( -0.816 0.000 1.342) 1.570 4.922 ( 1.202 0.000 -1.899) 2.247 5.412 ( -3.072 0.000 -2.139) 3.744 5.516 ( -2.116 0.000 -2.054) 2.948 5.627 ( -2.705 0.000 1.459) 3.073 5.632 ( 5.613 0.000 -5.383) 7.777 5.771 ( 6.418 0.000 7.555) 9.913 5.919 ( 6.245 0.000 6.021) 8.674 6.010 ( -0.903 0.000 0.100) 0.909 6.040 ( 0.501 0.000 -0.078) 0.507 6.151 ( -6.969 0.000 -1.063) 7.050 6.201 ( -3.095 0.000 -6.156) 6.890 6.444 ( 0.568 0.000 -0.276) 0.632 6.475 ( -3.159 0.000 5.931) 6.720 6.522 ( 1.247 0.000 8.885) 8.972 6.532 ( 8.877 0.000 -1.124) 8.948 6.729 ( -0.458 0.000 1.169) 1.255 6.776 ( 0.264 0.000 -2.114) 2.131 6.902 ( -5.743 0.000 -0.010) 5.743 7.016 ( -2.856 0.000 -1.543) 3.246 7.146 ( 1.760 0.000 1.363) 2.226 7.174 ( 1.335 0.000 -0.642) 1.481 7.296 ( 1.513 0.000 -1.827) 2.372 7.314 ( 1.607 0.000 -0.507) 1.685 7.405 ( -1.542 0.000 3.659) 3.971 7.476 ( 1.441 0.000 -2.964) 3.296 7.543 ( -2.516 0.000 5.139) 5.722 7.603 ( 0.942 0.000 -3.216) 3.351 7.810 ( -0.411 0.000 1.908) 1.951 7.863 ( 1.406 0.000 -3.080) 3.386 7.882 ( -3.425 0.000 -1.237) 3.642 7.967 ( -0.946 0.000 0.640) 1.143 8.039 ( 3.967 0.000 3.202) 5.098 8.065 ( 3.215 0.000 -2.275) 3.938 8.107 ( 0.040 0.000 1.556) 1.556 8.115 ( -0.051 0.000 -0.111) 0.122 8.331 ( 0.793 0.000 -4.488) 4.558 8.384 ( 3.026 0.000 1.814) 3.529 8.494 ( -2.795 0.000 -2.081) 3.485 8.580 ( 1.617 0.000 2.107) 2.656 8.625 ( -3.273 0.000 -2.728) 4.261 8.720 ( 1.433 0.000 3.761) 4.025 8.857 ( -1.323 0.000 -3.155) 3.421 8.895 ( 0.839 0.000 3.684) 3.778 12.219 ( -0.292 0.000 0.331) 0.441 12.221 ( -0.174 0.000 -0.382) 0.420 13.930 ( -8.704 0.000 6.209) 10.692 14.266 ( 6.756 0.000 -14.339) 15.851 16.992 ( -4.230 0.000 0.548) 4.265 17.087 ( -2.036 0.000 2.576) 3.283 17.093 ( -3.295 0.000 0.751) 3.379 17.097 ( 0.404 0.000 1.315) 1.376 17.209 ( 1.782 0.000 -4.873) 5.188 17.240 ( 2.741 0.000 2.210) 3.521 17.324 ( -1.010 0.000 -6.475) 6.554 17.395 ( -0.091 0.000 9.657) 9.658 17.551 ( -3.954 0.000 -3.701) 5.416 17.792 ( 7.172 0.000 0.229) 7.176 17.844 ( -0.813 0.000 -0.409) 0.910 17.956 ( 4.568 0.000 -0.198) 4.572 18.066 ( -1.007 0.000 -0.363) 1.070 18.073 ( -0.807 0.000 1.190) 1.438 18.120 ( -1.484 0.000 1.016) 1.799 18.175 ( 0.994 0.000 -0.460) 1.096 18.773 ( -3.600 0.000 0.591) 3.648 18.787 ( -2.155 0.000 -0.779) 2.292 18.850 ( 0.469 0.000 -0.341) 0.580 18.949 ( 4.851 0.000 2.421) 5.422 19.337 ( -2.683 0.000 0.921) 2.836 19.553 ( 5.795 0.000 -2.540) 6.327 19.671 ( -0.607 0.000 0.743) 0.959 19.719 ( 2.857 0.000 -1.620) 3.284 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -16.441 0.000 10.715) 19.624 1.100 ( -17.833 0.000 25.542) 31.152 1.266 ( -18.666 0.000 26.763) 32.629 1.618 ( -4.214 0.000 -19.406) 19.859 1.664 ( 6.931 0.000 -23.344) 24.351 1.993 ( -5.694 0.000 0.367) 5.705 2.091 ( 6.776 0.000 -3.175) 7.483 2.100 ( -5.807 0.000 2.275) 6.236 2.178 ( 2.712 0.000 -5.422) 6.062 2.218 ( 5.458 0.000 3.251) 6.353 2.425 ( -2.712 0.000 7.480) 7.956 2.480 ( 6.263 0.000 3.726) 7.287 2.565 ( -13.546 0.000 -8.544) 16.015 2.699 ( 0.609 0.000 5.568) 5.602 2.710 ( 0.075 0.000 -3.914) 3.914 2.812 ( 2.174 0.000 4.662) 5.144 2.896 ( 0.491 0.000 -6.287) 6.306 3.057 ( 5.860 0.000 -4.407) 7.332 3.177 ( 7.630 0.000 2.062) 7.904 3.219 ( -2.676 0.000 0.742) 2.777 3.273 ( -5.901 0.000 -1.145) 6.011 3.435 ( -1.332 0.000 5.926) 6.074 3.608 ( 4.094 0.000 -6.816) 7.951 3.679 ( 1.218 0.000 -2.898) 3.144 3.714 ( -0.998 0.000 1.649) 1.927 3.857 ( 4.207 0.000 -2.280) 4.785 4.022 ( 2.204 0.000 1.201) 2.510 4.104 ( -0.335 0.000 -1.958) 1.986 4.120 ( -2.663 0.000 -3.201) 4.164 4.149 ( -0.892 0.000 1.830) 2.036 4.261 ( 1.743 0.000 -0.604) 1.845 4.282 ( -0.811 0.000 -2.626) 2.748 4.402 ( -1.330 0.000 3.289) 3.548 4.454 ( 1.234 0.000 0.832) 1.488 4.728 ( -1.083 0.000 1.967) 2.245 4.767 ( -0.597 0.000 -3.610) 3.659 4.851 ( 0.031 0.000 4.172) 4.172 4.915 ( 1.174 0.000 4.996) 5.132 5.302 ( -4.017 0.000 -4.599) 6.106 5.403 ( -2.370 0.000 -7.790) 8.143 5.740 ( 6.974 0.000 0.596) 6.999 5.741 ( 7.375 0.000 -2.003) 7.643 5.932 ( -3.572 0.000 -0.332) 3.587 5.973 ( 4.001 0.000 9.670) 10.465 6.001 ( -1.638 0.000 -2.815) 3.256 6.027 ( 1.259 0.000 -2.509) 2.807 6.148 ( 3.698 0.000 6.325) 7.327 6.190 ( 1.303 0.000 5.638) 5.787 6.322 ( -2.191 0.000 -5.248) 5.687 6.456 ( -3.040 0.000 2.616) 4.011 6.632 ( -1.348 0.000 1.861) 2.298 6.686 ( 3.062 0.000 -1.301) 3.327 6.760 ( 0.183 0.000 2.005) 2.013 6.796 ( -0.804 0.000 -0.469) 0.931 6.918 ( 9.155 0.000 9.900) 13.484 6.971 ( 2.095 0.000 -0.594) 2.178 7.188 ( 1.252 0.000 2.007) 2.366 7.193 ( 1.278 0.000 0.320) 1.317 7.300 ( 1.998 0.000 -3.880) 4.364 7.347 ( 1.588 0.000 0.965) 1.858 7.421 ( 0.015 0.000 2.306) 2.306 7.473 ( 1.130 0.000 -2.522) 2.764 7.537 ( -3.718 0.000 4.812) 6.081 7.599 ( 1.598 0.000 -2.327) 2.822 7.805 ( -0.555 0.000 -1.688) 1.777 7.841 ( -0.683 0.000 -2.920) 2.999 7.842 ( -1.121 0.000 2.206) 2.475 7.957 ( 0.183 0.000 -1.830) 1.839 8.095 ( -1.580 0.000 1.645) 2.281 8.097 ( 2.533 0.000 -1.873) 3.150 8.121 ( 0.164 0.000 0.588) 0.611 8.133 ( 1.127 0.000 1.011) 1.514 8.314 ( 2.716 0.000 -4.851) 5.560 8.415 ( -3.815 0.000 -1.201) 3.999 8.457 ( 3.572 0.000 -0.489) 3.605 8.546 ( -2.110 0.000 -1.854) 2.809 8.630 ( 1.139 0.000 2.345) 2.607 8.728 ( -2.673 0.000 -0.248) 2.684 8.853 ( 2.120 0.000 1.954) 2.883 8.947 ( 1.148 0.000 2.120) 2.411 12.215 ( -0.086 0.000 -0.303) 0.315 12.215 ( -0.416 0.000 0.210) 0.466 13.850 ( -6.060 0.000 6.119) 8.612 14.108 ( -5.611 0.000 -14.326) 15.386 16.946 ( -2.034 0.000 2.808) 3.467 17.049 ( -2.707 0.000 2.880) 3.952 17.077 ( -1.611 0.000 2.234) 2.754 17.114 ( -0.851 0.000 2.838) 2.963 17.199 ( 2.335 0.000 -5.023) 5.539 17.233 ( -3.146 0.000 -1.711) 3.581 17.266 ( 1.022 0.000 -5.772) 5.862 17.341 ( -9.147 0.000 -4.761) 10.312 17.604 ( 4.884 0.000 9.704) 10.864 17.863 ( 1.902 0.000 2.133) 2.857 17.898 ( 4.607 0.000 -2.020) 5.030 18.018 ( 2.522 0.000 -2.308) 3.418 18.056 ( 0.051 0.000 0.468) 0.471 18.062 ( -1.503 0.000 1.251) 1.955 18.114 ( -0.089 0.000 1.469) 1.472 18.179 ( -0.036 0.000 -0.660) 0.661 18.715 ( -2.655 0.000 -0.185) 2.661 18.742 ( -1.105 0.000 -1.633) 1.972 18.941 ( 8.456 0.000 4.620) 9.636 19.055 ( 2.747 0.000 3.622) 4.546 19.313 ( -1.401 0.000 0.209) 1.416 19.551 ( -0.551 0.000 -7.270) 7.291 19.667 ( -1.001 0.000 2.451) 2.648 19.769 ( 3.471 0.000 -2.237) 4.129 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 4.642 9.394 18.518) 21.277 1.096 ( 3.945 4.067 25.748) 26.364 1.312 ( -1.314 0.222 -18.972) 19.018 1.578 ( -6.077 5.911 -13.358) 15.821 1.603 ( -5.269 14.908 15.245) 21.964 1.944 ( 1.248 8.097 -6.558) 10.494 2.053 ( 3.004 1.875 -0.913) 3.657 2.080 ( -4.527 -1.430 -2.591) 5.408 2.211 ( 2.683 1.854 3.684) 4.920 2.306 ( -1.744 8.514 -7.025) 11.174 2.450 ( -7.786 4.148 8.748) 12.424 2.526 ( -1.984 5.406 2.716) 6.366 2.612 ( 4.413 -0.909 -2.532) 5.168 2.679 ( 4.298 -0.537 -5.974) 7.379 2.756 ( 2.459 2.992 1.040) 4.010 2.829 ( -1.762 2.098 -5.747) 6.366 2.924 ( 1.093 2.601 7.136) 7.674 3.023 ( -0.694 -2.507 -1.733) 3.126 3.172 ( 0.617 -0.830 -3.427) 3.580 3.213 ( 1.927 -2.038 -4.479) 5.285 3.350 ( 0.113 -1.767 3.843) 4.231 3.387 ( 1.056 -1.808 0.075) 2.095 3.605 ( -0.089 1.386 2.879) 3.196 3.677 ( -1.473 1.644 -2.396) 3.257 3.769 ( 3.235 -2.678 2.445) 4.859 3.850 ( -2.161 -1.159 -4.571) 5.187 3.976 ( 0.800 -3.473 -0.974) 3.695 4.022 ( -2.493 -0.952 -5.501) 6.115 4.152 ( 3.684 -1.162 3.894) 5.485 4.193 ( -0.104 0.687 1.545) 1.694 4.238 ( -0.211 1.389 -1.575) 2.110 4.261 ( -1.251 0.634 -2.153) 2.569 4.407 ( -0.339 -2.329 0.613) 2.432 4.410 ( -0.175 -4.065 0.140) 4.071 4.728 ( -0.881 1.650 1.508) 2.402 4.741 ( -0.184 1.378 0.417) 1.451 4.952 ( 1.860 -0.839 4.540) 4.977 4.981 ( -1.171 1.631 1.305) 2.394 5.266 ( -0.805 4.284 0.287) 4.369 5.326 ( -0.563 3.014 -5.391) 6.202 5.685 ( -4.603 -7.141 2.055) 8.741 5.741 ( 3.377 -6.256 -3.516) 7.931 5.873 ( 2.659 -1.943 2.320) 4.028 5.916 ( -2.316 -1.946 -2.077) 3.669 6.062 ( -2.198 0.467 0.516) 2.305 6.078 ( 2.197 1.012 -1.566) 2.882 6.223 ( 0.457 -3.915 4.144) 5.719 6.254 ( 1.389 -2.140 1.607) 3.015 6.307 ( 3.253 -3.212 4.863) 6.675 6.396 ( -2.779 -1.434 -2.048) 3.738 6.593 ( -1.411 -2.632 0.572) 3.041 6.638 ( 1.657 -1.148 -3.297) 3.865 6.772 ( 0.586 1.282 1.982) 2.432 6.824 ( 0.687 2.188 -3.458) 4.149 6.969 ( 0.439 -8.978 4.228) 9.933 7.005 ( 1.031 -6.737 0.334) 6.824 7.147 ( -0.550 -4.386 2.715) 5.188 7.208 ( -1.782 -3.116 -3.412) 4.952 7.302 ( 3.206 -0.919 1.107) 3.514 7.323 ( -1.261 1.162 -0.672) 1.842 7.430 ( -0.886 -0.053 2.771) 2.910 7.484 ( 0.646 1.641 -2.458) 3.025 7.545 ( -1.885 2.113 4.552) 5.361 7.629 ( 1.626 1.786 -3.860) 4.554 7.778 ( -0.333 -1.137 -0.141) 1.193 7.792 ( 0.029 0.075 -1.066) 1.069 7.839 ( 0.675 -1.430 3.098) 3.478 7.895 ( -1.438 -0.343 -2.529) 2.929 8.090 ( -2.011 -1.613 2.050) 3.293 8.109 ( 1.317 -0.533 -0.324) 1.458 8.134 ( -0.015 1.323 0.501) 1.414 8.149 ( 0.788 1.878 -1.129) 2.328 8.332 ( -4.562 0.580 -0.639) 4.643 8.340 ( 3.825 -0.002 -1.659) 4.169 8.491 ( -2.105 -0.221 -0.224) 2.129 8.511 ( 2.278 0.374 -1.990) 3.048 8.674 ( 1.455 0.332 1.662) 2.234 8.689 ( -2.330 0.916 -0.098) 2.505 8.910 ( 1.498 -1.084 1.870) 2.630 8.931 ( -0.702 -0.966 -0.186) 1.209 12.325 ( 0.270 9.982 2.008) 10.185 12.394 ( -0.229 14.156 -5.969) 15.365 13.800 ( -1.727 -3.346 5.697) 6.829 13.918 ( 2.304 -4.705 -6.494) 8.344 17.013 ( 2.679 1.768 3.383) 4.664 17.040 ( 1.870 -0.120 2.681) 3.271 17.097 ( -4.930 1.296 -3.311) 6.079 17.112 ( -0.718 -1.030 -2.908) 3.167 17.169 ( -2.855 2.986 4.728) 6.279 17.179 ( -3.411 3.917 3.200) 6.100 17.265 ( 2.601 4.185 -3.989) 6.340 17.283 ( 1.359 3.836 -5.495) 6.838 17.759 ( 2.677 -1.726 8.394) 8.978 17.877 ( -1.208 -2.908 -2.135) 3.804 17.897 ( 2.269 -2.325 0.860) 3.361 17.956 ( -2.388 -3.327 -2.848) 4.988 18.036 ( -0.730 -2.524 0.072) 2.629 18.038 ( 1.261 -2.422 -0.138) 2.734 18.098 ( 1.304 -2.419 1.931) 3.359 18.136 ( -0.547 -2.138 -1.637) 2.748 18.708 ( -0.480 1.654 0.786) 1.893 18.727 ( 0.394 0.809 -1.127) 1.442 19.062 ( -2.748 -3.170 3.778) 5.646 19.133 ( 5.663 -2.764 -3.284) 7.106 19.289 ( 0.204 0.510 5.020) 5.050 19.412 ( -2.689 -1.595 -7.404) 8.037 19.660 ( -0.344 -3.338 4.886) 5.927 19.739 ( 0.567 -3.372 -3.510) 4.900 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.535 7.451 -17.497) 19.079 1.168 ( 2.429 5.294 16.075) 17.097 1.393 ( 7.957 -6.208 -15.194) 18.240 1.451 ( 2.426 13.966 20.115) 24.608 1.896 ( -1.078 0.967 6.703) 6.858 1.922 ( 6.105 10.000 -2.127) 11.908 1.982 ( 4.716 4.676 -0.568) 6.666 2.084 ( -2.237 1.535 1.878) 3.300 2.231 ( 1.580 6.732 -3.166) 7.606 2.258 ( -4.289 3.926 1.987) 6.145 2.432 ( 1.922 6.015 9.801) 11.659 2.514 ( -0.762 1.559 1.461) 2.269 2.645 ( 1.612 -0.066 -0.313) 1.644 2.674 ( 2.599 1.898 -8.403) 8.999 2.766 ( 1.169 -1.825 -1.948) 2.914 2.861 ( 2.996 4.049 -0.416) 5.054 2.960 ( -1.648 -0.220 -4.573) 4.866 2.997 ( -0.425 3.053 3.607) 4.744 3.141 ( -0.909 -3.215 -1.174) 3.541 3.212 ( -1.798 -2.994 -0.935) 3.616 3.285 ( 0.612 -3.696 -4.023) 5.498 3.470 ( 2.429 -1.007 0.071) 2.630 3.578 ( -4.385 1.698 -2.555) 5.351 3.640 ( -1.805 2.424 5.315) 6.114 3.751 ( 0.235 -1.048 -4.099) 4.238 3.837 ( -2.727 0.066 1.310) 3.026 3.924 ( -1.696 -4.334 2.543) 5.304 4.035 ( 1.532 -2.766 0.692) 3.237 4.131 ( -1.387 -0.751 -3.469) 3.810 4.198 ( -1.881 0.734 -3.381) 3.937 4.233 ( 0.922 -0.038 2.396) 2.568 4.279 ( 1.629 0.968 1.285) 2.290 4.409 ( -0.188 -3.338 0.337) 3.360 4.426 ( 1.926 -2.405 0.623) 3.143 4.722 ( -0.493 1.339 1.610) 2.151 4.756 ( -0.497 0.120 0.462) 0.689 4.919 ( -2.884 0.545 -1.095) 3.133 5.015 ( 0.466 1.333 -0.869) 1.658 5.294 ( 1.079 4.105 3.383) 5.428 5.301 ( 1.815 3.673 -0.025) 4.097 5.597 ( -6.192 -6.391 2.489) 9.240 5.739 ( -2.805 -2.596 -0.717) 3.888 5.877 ( 1.802 -3.599 -1.694) 4.367 5.933 ( -0.107 -3.570 1.034) 3.718 5.985 ( -3.289 -1.026 1.594) 3.796 6.113 ( 0.925 1.108 -1.997) 2.464 6.201 ( -4.038 -3.278 -0.890) 5.277 6.246 ( -2.563 -3.890 -1.904) 5.032 6.287 ( -1.948 -0.684 -1.731) 2.694 6.427 ( 2.324 -2.878 2.176) 4.291 6.626 ( 3.237 -2.251 1.816) 4.341 6.664 ( 2.878 -2.204 -2.739) 4.544 6.780 ( -3.216 0.783 -2.732) 4.292 6.803 ( 0.785 0.580 0.532) 1.112 6.915 ( -2.288 -3.893 0.987) 4.622 6.980 ( -2.465 -4.906 -2.382) 5.985 7.139 ( -2.268 -2.943 -2.055) 4.245 7.179 ( 0.105 -2.440 4.376) 5.012 7.301 ( 0.265 3.219 -2.995) 4.405 7.345 ( -0.054 -1.875 -0.225) 1.890 7.438 ( -1.409 1.178 3.010) 3.526 7.476 ( 1.386 1.606 -2.533) 3.304 7.560 ( -1.688 2.213 4.643) 5.413 7.628 ( 2.462 1.104 -3.740) 4.612 7.772 ( -0.131 -1.657 0.077) 1.664 7.802 ( 1.084 0.183 0.045) 1.100 7.863 ( 0.494 -1.005 -1.555) 1.917 7.898 ( 1.788 -0.443 3.038) 3.553 8.049 ( -3.528 -1.935 1.060) 4.161 8.110 ( -0.920 0.309 0.215) 0.994 8.127 ( 0.184 -0.099 -0.636) 0.669 8.180 ( 0.869 1.823 -1.332) 2.419 8.258 ( -2.140 1.010 1.170) 2.640 8.403 ( 2.908 0.267 0.536) 2.969 8.447 ( -2.435 -0.223 0.284) 2.462 8.537 ( 1.906 1.005 -0.223) 2.166 8.654 ( -1.428 0.032 -0.477) 1.506 8.718 ( 1.476 0.414 1.710) 2.297 8.885 ( -1.973 -0.578 -1.266) 2.414 8.956 ( 1.221 -0.892 -0.436) 1.574 12.321 ( -1.626 10.113 -0.649) 10.263 12.357 ( -0.312 11.626 0.671) 11.649 13.861 ( 1.483 -4.095 6.523) 7.843 13.936 ( 6.004 -5.414 -7.070) 10.740 16.995 ( -0.697 -1.280 -2.358) 2.772 17.041 ( 0.286 -2.515 -0.927) 2.695 17.127 ( 2.036 2.769 2.188) 4.075 17.157 ( -0.268 2.869 2.449) 3.782 17.172 ( -1.505 1.442 5.270) 5.667 17.216 ( 4.329 3.476 2.395) 6.046 17.271 ( 2.631 3.320 -2.117) 4.735 17.295 ( 4.962 3.252 -1.534) 6.128 17.753 ( -4.577 -3.498 -5.701) 8.105 17.824 ( -4.190 -3.817 -1.269) 5.808 17.881 ( -0.795 -1.829 0.851) 2.168 17.943 ( -1.085 -0.758 2.830) 3.124 18.025 ( -0.136 -2.691 -0.325) 2.714 18.059 ( 1.432 -2.090 -0.358) 2.559 18.102 ( -0.450 -2.847 -2.898) 4.087 18.126 ( -0.300 -2.512 1.724) 3.061 18.722 ( 1.290 1.134 0.472) 1.782 18.740 ( 1.807 1.287 -0.326) 2.242 18.985 ( -6.694 -1.303 0.439) 6.833 19.102 ( -3.165 -2.458 -3.617) 5.399 19.322 ( 0.338 -2.044 -2.317) 3.108 19.411 ( 3.023 1.316 5.622) 6.518 19.659 ( -2.659 -4.388 1.052) 5.238 19.722 ( 0.069 -1.773 -1.500) 2.323 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 21.875 5.762 -0.001) 22.621 1.372 ( -0.689 3.659 14.666) 15.131 1.446 ( 12.085 -8.126 -13.446) 19.821 1.673 ( 0.912 9.788 16.896) 19.548 1.785 ( -8.164 2.239 9.223) 12.519 1.973 ( 1.555 8.728 -0.654) 8.890 2.022 ( -8.456 6.765 7.976) 13.449 2.072 ( 4.166 7.934 -3.769) 9.721 2.203 ( 3.303 -1.732 -5.033) 6.264 2.283 ( 3.318 2.552 -3.367) 5.372 2.472 ( -3.693 -2.759 -2.484) 5.236 2.557 ( -0.928 2.435 -9.732) 10.074 2.643 ( -1.689 -1.867 -3.149) 4.032 2.760 ( -2.646 1.845 2.714) 4.216 2.776 ( 1.592 -0.570 -4.137) 4.469 2.836 ( 5.997 5.239 3.074) 8.536 2.883 ( -6.050 1.441 -1.937) 6.514 2.938 ( 0.828 4.108 -3.557) 5.497 3.096 ( -1.661 3.548 1.456) 4.179 3.200 ( 2.744 -6.642 -0.647) 7.216 3.296 ( -1.946 -5.512 3.029) 6.583 3.503 ( 3.430 0.151 0.979) 3.570 3.546 ( 3.276 2.261 -1.077) 4.124 3.661 ( -0.812 2.988 2.784) 4.164 3.742 ( -1.518 0.062 1.855) 2.398 3.787 ( 0.691 0.416 -0.623) 1.019 3.923 ( -2.582 -4.172 2.312) 5.424 4.030 ( -2.001 -6.364 0.490) 6.689 4.102 ( 0.543 -3.346 -2.078) 3.977 4.152 ( -0.899 1.017 -0.730) 1.541 4.254 ( 0.375 0.289 0.096) 0.483 4.295 ( -1.205 0.543 0.495) 1.412 4.411 ( 0.633 -1.415 0.336) 1.586 4.492 ( 4.320 -0.080 -0.388) 4.338 4.706 ( -4.092 -1.167 -0.658) 4.306 4.719 ( -2.834 0.158 0.286) 2.853 4.879 ( 0.059 1.764 -0.576) 1.857 4.976 ( -1.338 3.560 -2.787) 4.715 5.349 ( 1.870 0.323 2.685) 3.289 5.394 ( 2.848 1.899 6.919) 7.720 5.541 ( -0.342 -2.955 1.663) 3.408 5.646 ( -5.944 0.362 0.918) 6.025 5.866 ( -4.459 -3.726 -4.218) 7.180 5.924 ( 2.694 -5.463 0.258) 6.097 5.998 ( -1.154 0.831 2.674) 3.028 6.048 ( -2.492 -2.559 -4.498) 5.744 6.121 ( -2.064 -4.296 1.016) 4.873 6.149 ( -2.246 -2.095 -1.949) 3.637 6.324 ( 0.685 -0.266 4.427) 4.487 6.431 ( -0.872 -3.529 -1.619) 3.979 6.627 ( -1.075 -0.789 -6.167) 6.309 6.673 ( -0.839 -4.143 -2.461) 4.891 6.760 ( 3.949 1.891 -0.327) 4.390 6.813 ( 0.136 0.402 -1.374) 1.438 6.902 ( 1.274 0.471 -4.501) 4.701 6.943 ( -0.546 -5.009 2.222) 5.507 7.110 ( 1.199 -0.314 -0.194) 1.254 7.219 ( -0.767 -0.833 3.320) 3.508 7.265 ( -0.639 1.995 -1.971) 2.876 7.318 ( -1.243 -0.117 -0.945) 1.566 7.434 ( -2.029 1.861 2.863) 3.972 7.486 ( 1.828 2.182 -2.317) 3.670 7.576 ( -1.570 3.206 4.679) 5.885 7.641 ( 2.413 1.650 -3.053) 4.227 7.776 ( -0.053 -2.785 1.021) 2.966 7.829 ( 1.719 -0.033 0.042) 1.720 7.867 ( 1.091 -1.344 -0.960) 1.979 7.960 ( 1.707 -0.128 2.081) 2.694 7.992 ( -2.805 -1.716 0.383) 3.310 8.085 ( -2.408 0.153 -0.193) 2.420 8.113 ( -1.486 -0.070 0.282) 1.514 8.141 ( -0.828 0.354 -2.055) 2.244 8.281 ( 1.462 1.913 1.481) 2.826 8.401 ( -2.189 -0.126 -0.005) 2.193 8.458 ( 2.059 -0.535 1.025) 2.361 8.586 ( 1.490 2.409 2.885) 4.043 8.619 ( -0.701 -1.226 -2.238) 2.646 8.756 ( 0.163 0.732 1.551) 1.723 8.838 ( -0.880 -0.078 -1.408) 1.662 8.952 ( 0.018 -0.373 -2.324) 2.354 12.300 ( -0.233 8.377 0.187) 8.382 12.349 ( -1.121 10.636 0.239) 10.698 13.950 ( 0.743 -6.357 5.786) 8.628 13.999 ( 5.756 -5.663 -3.117) 8.656 16.995 ( 2.373 -2.842 -1.729) 4.086 17.060 ( 2.398 -3.017 -0.559) 3.894 17.129 ( -2.357 1.966 2.592) 4.018 17.148 ( -2.794 2.222 1.360) 3.820 17.225 ( 0.476 3.730 -1.967) 4.244 17.240 ( 2.267 2.393 1.733) 3.724 17.303 ( -0.427 3.132 0.314) 3.176 17.468 ( 7.923 0.600 4.590) 9.176 17.579 ( -4.033 -3.007 -10.133) 11.313 17.759 ( -1.318 -4.844 1.079) 5.135 17.848 ( -2.828 1.043 -0.698) 3.094 17.925 ( -3.022 -0.781 1.739) 3.573 18.021 ( 0.237 -3.384 -0.700) 3.464 18.063 ( 0.112 -3.510 -3.060) 4.658 18.092 ( 1.397 -2.322 0.125) 2.713 18.125 ( -1.228 -2.477 1.296) 3.053 18.767 ( 3.030 0.381 0.353) 3.074 18.783 ( 2.997 0.907 -0.037) 3.132 18.884 ( -3.802 0.900 0.434) 3.931 18.986 ( -5.392 -1.173 -2.616) 6.107 19.339 ( 2.722 -1.417 -0.083) 3.070 19.481 ( -1.971 1.480 4.283) 4.942 19.627 ( -1.662 -4.291 1.650) 4.888 19.695 ( -0.613 -1.221 -1.651) 2.143 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -16.303 -1.364 13.398) 21.146 1.569 ( 14.361 -5.301 -11.289) 19.021 1.647 ( 22.843 1.889 7.219) 24.031 1.675 ( -19.247 10.937 9.180) 23.965 1.840 ( 2.388 1.704 8.820) 9.295 2.017 ( -0.591 6.492 2.446) 6.963 2.038 ( 1.021 6.108 3.335) 7.034 2.102 ( -5.878 1.056 1.023) 6.059 2.181 ( 4.459 4.845 -1.002) 6.660 2.261 ( -7.722 3.729 -5.297) 10.079 2.354 ( 2.822 -1.935 -5.634) 6.591 2.372 ( -4.358 2.033 -4.237) 6.409 2.547 ( -4.064 -0.387 -2.121) 4.601 2.605 ( 0.562 -0.703 -5.346) 5.421 2.736 ( -1.655 3.574 -0.314) 3.951 2.763 ( 3.090 -1.059 -4.192) 5.315 2.985 ( 1.881 3.767 -0.950) 4.316 3.011 ( 0.384 3.385 -2.656) 4.320 3.115 ( 2.459 -1.189 3.568) 4.493 3.172 ( -1.885 -3.364 -3.292) 5.070 3.400 ( 3.239 -0.730 8.919) 9.517 3.536 ( -6.074 3.159 3.720) 7.791 3.571 ( 1.668 -0.979 -4.769) 5.146 3.672 ( 5.682 3.902 -4.204) 8.073 3.805 ( 3.406 -3.668 1.955) 5.374 3.828 ( -0.150 -2.558 -0.424) 2.597 3.910 ( 1.270 -1.123 4.639) 4.939 3.984 ( -1.523 -3.591 -1.541) 4.194 4.130 ( 1.894 -2.117 0.654) 2.914 4.135 ( -0.210 -3.947 -0.136) 3.955 4.228 ( -2.376 -2.904 0.103) 3.754 4.262 ( -0.212 0.294 -1.670) 1.709 4.455 ( 1.959 1.823 2.313) 3.537 4.507 ( -2.701 0.990 -2.729) 3.965 4.644 ( -2.940 1.403 -0.754) 3.344 4.658 ( 2.304 -0.878 -1.567) 2.921 4.889 ( -0.341 2.487 2.553) 3.580 4.928 ( -1.506 2.966 -1.465) 3.635 5.430 ( 3.128 -1.344 5.152) 6.175 5.498 ( -4.286 -0.336 -1.620) 4.595 5.532 ( 3.172 -1.236 7.643) 8.367 5.683 ( 2.191 -0.924 2.420) 3.392 5.738 ( 2.808 -0.725 -4.825) 5.629 5.820 ( -9.594 -1.631 -4.872) 10.883 5.977 ( 1.152 -4.433 0.924) 4.673 6.011 ( -0.718 -2.477 -2.885) 3.869 6.172 ( 3.369 -5.168 4.852) 7.849 6.227 ( 1.761 -0.556 3.408) 3.876 6.270 ( -3.301 -5.203 1.770) 6.411 6.462 ( -0.034 0.366 6.284) 6.295 6.494 ( -2.582 -0.849 -11.153) 11.479 6.613 ( 0.096 0.899 -7.043) 7.101 6.784 ( -0.936 3.155 0.304) 3.305 6.811 ( 1.174 1.960 -1.720) 2.860 6.919 ( -3.180 -4.884 1.315) 5.974 6.949 ( 4.655 -4.339 -1.722) 6.592 7.163 ( 0.735 1.961 1.439) 2.541 7.183 ( -1.224 2.257 -0.458) 2.608 7.268 ( -0.937 -1.410 1.524) 2.278 7.303 ( 1.748 -0.186 -1.893) 2.584 7.421 ( -3.085 1.587 4.198) 5.446 7.494 ( 2.219 1.870 -3.237) 4.347 7.589 ( -1.851 4.046 3.950) 5.950 7.652 ( 1.713 3.069 -2.744) 4.459 7.789 ( -0.633 -1.575 2.353) 2.901 7.842 ( 1.080 -1.801 -2.613) 3.352 7.906 ( 2.563 -1.689 1.319) 3.341 7.924 ( -2.895 -2.475 -0.304) 3.821 8.024 ( -1.575 1.802 0.468) 2.438 8.031 ( 1.534 0.448 -0.030) 1.598 8.090 ( -1.526 -0.553 1.546) 2.241 8.128 ( 1.294 0.215 -2.340) 2.683 8.326 ( 1.585 1.025 1.743) 2.569 8.362 ( -0.731 -0.183 -1.838) 1.986 8.511 ( 1.596 -1.061 2.515) 3.162 8.563 ( -1.826 -0.023 -2.606) 3.182 8.660 ( 1.975 1.077 3.510) 4.169 8.725 ( -2.269 1.252 -2.492) 3.595 8.850 ( 0.658 0.231 2.781) 2.867 8.916 ( -0.689 0.137 -3.485) 3.555 12.312 ( 0.552 8.595 0.833) 8.653 12.328 ( -0.280 9.385 -0.854) 9.427 13.963 ( -6.502 -5.572 6.928) 11.015 14.093 ( 9.016 -8.477 -6.227) 13.854 17.036 ( 1.649 -2.016 0.845) 2.738 17.077 ( -2.434 0.062 -2.602) 3.564 17.098 ( -1.667 -0.644 2.073) 2.737 17.116 ( 1.530 -0.091 -0.346) 1.571 17.214 ( -1.510 2.898 2.305) 3.999 17.262 ( -1.473 1.805 -1.433) 2.735 17.303 ( 1.534 0.400 3.598) 3.932 17.436 ( -1.447 -0.246 -7.661) 7.800 17.648 ( 6.526 0.722 3.249) 7.326 17.708 ( -4.411 2.348 -2.613) 5.639 17.849 ( 2.446 -2.777 1.792) 4.111 17.879 ( -1.691 -0.472 -0.817) 1.936 18.015 ( -1.161 -5.032 0.157) 5.166 18.039 ( 0.619 -3.826 -2.036) 4.378 18.110 ( -1.342 -2.078 0.883) 2.627 18.120 ( 1.279 -2.513 -0.040) 2.820 18.831 ( -0.527 -0.123 0.704) 0.888 18.837 ( -0.035 0.311 0.658) 0.729 18.846 ( 2.490 0.692 0.407) 2.616 18.873 ( -2.068 0.212 -2.064) 2.930 19.413 ( -1.777 -0.008 2.052) 2.715 19.435 ( 2.018 0.306 -0.325) 2.067 19.633 ( -0.443 -3.608 2.597) 4.468 19.680 ( 0.776 -1.682 -2.114) 2.811 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -19.042 -3.895 15.851) 25.080 1.196 ( -28.887 6.209 -5.869) 30.125 1.663 ( 5.084 -1.480 -11.682) 12.826 1.709 ( -18.050 14.902 13.894) 27.220 1.880 ( 0.852 -3.981 -7.519) 8.550 2.040 ( 5.774 10.214 -10.534) 15.768 2.069 ( 2.353 2.673 8.006) 8.762 2.136 ( -0.963 1.773 0.555) 2.092 2.183 ( -0.432 1.130 -1.828) 2.192 2.233 ( 2.169 4.538 -0.428) 5.048 2.336 ( 2.874 4.247 6.564) 8.329 2.416 ( 3.679 2.644 4.709) 6.534 2.573 ( 4.587 -1.163 2.478) 5.342 2.692 ( 6.099 -3.690 0.776) 7.170 2.741 ( 0.567 3.555 3.456) 4.990 2.869 ( 9.194 -0.310 0.080) 9.199 2.916 ( -4.451 3.675 -3.678) 6.844 2.944 ( -1.917 2.317 -4.620) 5.512 3.133 ( -1.369 -0.244 -1.905) 2.359 3.187 ( 2.092 -4.079 0.395) 4.601 3.390 ( -4.705 0.162 -0.791) 4.773 3.474 ( -4.430 2.833 2.307) 5.742 3.554 ( 1.117 -1.096 -3.680) 3.999 3.734 ( -0.786 1.239 -3.509) 3.803 3.763 ( -3.980 -2.142 -2.457) 5.145 3.816 ( 7.980 1.129 -2.873) 8.556 3.971 ( 1.509 -2.598 -2.188) 3.717 4.044 ( 2.920 -4.688 1.259) 5.664 4.076 ( 0.570 -2.698 0.207) 2.765 4.174 ( 0.270 0.230 -2.833) 2.855 4.230 ( -0.014 -2.187 2.326) 3.193 4.289 ( 2.636 -1.399 1.113) 3.185 4.420 ( -2.659 -0.571 -0.199) 2.727 4.472 ( -2.647 2.684 0.846) 3.864 4.662 ( 3.427 -0.252 3.010) 4.568 4.711 ( 3.748 1.188 -0.131) 3.934 4.873 ( -2.696 0.916 0.297) 2.863 4.941 ( 1.403 2.457 1.605) 3.253 5.396 ( -3.020 -1.468 -2.016) 3.917 5.512 ( -1.959 -0.651 -2.465) 3.215 5.572 ( -1.632 -2.537 -1.191) 3.243 5.667 ( 2.208 -0.213 -0.843) 2.373 5.732 ( 5.767 -2.992 5.514) 8.522 5.923 ( 5.484 -2.310 4.799) 7.645 5.966 ( -0.637 -4.573 -0.232) 4.623 6.001 ( 0.283 -0.892 1.563) 1.821 6.095 ( -5.814 -4.835 -1.199) 7.656 6.249 ( -0.741 3.227 -5.625) 6.527 6.334 ( 1.935 -8.764 4.364) 9.980 6.453 ( -0.899 -0.837 -1.201) 1.718 6.528 ( 4.880 -0.702 4.172) 6.459 6.562 ( 0.299 2.484 2.578) 3.593 6.757 ( -2.087 3.502 -0.093) 4.078 6.807 ( 0.192 -0.164 -0.774) 0.814 6.860 ( -3.703 -0.697 0.433) 3.792 6.991 ( 1.552 -4.173 -2.876) 5.301 7.110 ( -2.177 0.976 0.064) 2.387 7.225 ( 0.675 1.947 1.788) 2.728 7.264 ( 0.813 -2.251 -0.834) 2.534 7.322 ( 1.674 -0.517 -1.510) 2.313 7.410 ( -2.320 0.700 4.003) 4.679 7.503 ( 1.636 2.329 -2.666) 3.900 7.580 ( -2.929 3.722 3.310) 5.778 7.649 ( 1.023 3.759 -2.957) 4.891 7.794 ( -0.526 -1.892 1.272) 2.339 7.833 ( 0.269 -2.533 -1.985) 3.229 7.859 ( -2.546 -1.720 -0.564) 3.124 7.981 ( -1.641 0.924 -0.183) 1.892 7.989 ( 3.636 -2.826 1.184) 4.755 8.078 ( 0.880 0.460 0.817) 1.286 8.093 ( 1.189 -0.383 0.543) 1.362 8.142 ( 1.748 1.165 -0.729) 2.223 8.324 ( 0.028 -0.465 -2.717) 2.756 8.392 ( 3.022 0.628 0.999) 3.245 8.492 ( -2.499 -0.064 -2.708) 3.686 8.566 ( 0.962 -1.525 3.046) 3.539 8.648 ( -2.412 2.113 -3.259) 4.572 8.731 ( 1.494 1.026 3.587) 4.019 8.859 ( -1.436 0.146 -2.772) 3.125 8.896 ( 0.591 0.209 3.046) 3.110 12.305 ( -0.460 8.030 -0.254) 8.047 12.358 ( 3.344 11.737 -0.675) 12.222 13.881 ( -7.541 -4.775 4.981) 10.222 14.152 ( 4.323 -10.073 -10.372) 15.090 16.987 ( -2.821 -0.536 -0.804) 2.982 17.050 ( -3.026 -1.312 0.332) 3.315 17.109 ( 1.299 1.360 2.402) 3.050 17.147 ( -0.615 2.802 1.866) 3.422 17.219 ( 0.742 0.259 -0.483) 0.922 17.261 ( 1.727 2.348 1.012) 3.086 17.365 ( 0.644 2.881 -5.591) 6.323 17.378 ( 0.261 -1.628 8.209) 8.373 17.564 ( -5.067 1.416 -4.176) 6.717 17.788 ( 3.186 -1.024 -0.868) 3.457 17.838 ( 2.079 0.094 -0.451) 2.130 17.933 ( 2.999 -3.416 0.477) 4.571 17.992 ( -1.242 -4.715 1.986) 5.265 18.039 ( 0.437 -3.601 -0.810) 3.717 18.091 ( -1.296 -1.541 0.289) 2.034 18.141 ( 1.091 -2.611 -0.273) 2.842 18.776 ( -3.272 0.441 0.655) 3.366 18.780 ( -2.823 -0.180 -0.841) 2.951 18.903 ( 3.047 2.922 -1.608) 4.517 18.936 ( 4.259 -1.263 2.453) 5.074 19.338 ( -3.256 0.002 0.288) 3.269 19.537 ( 4.370 -1.613 -1.258) 4.826 19.639 ( -1.219 -2.881 1.253) 3.370 19.689 ( 2.751 -2.865 -1.714) 4.326 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -12.524 9.782 10.454) 19.022 1.012 ( -13.759 -0.299 20.098) 24.359 1.514 ( -1.796 -2.251 -17.418) 17.654 1.567 ( -16.182 20.595 23.089) 34.915 1.865 ( 2.421 8.706 -16.181) 18.533 1.955 ( 1.131 0.197 -4.797) 4.933 2.084 ( -0.803 0.061 -0.716) 1.077 2.131 ( -1.296 1.167 -0.944) 1.983 2.177 ( -2.717 1.005 1.899) 3.464 2.316 ( 6.447 8.111 -1.353) 10.449 2.460 ( -0.781 2.614 6.384) 6.943 2.509 ( 3.953 3.379 2.658) 5.840 2.647 ( -2.874 2.799 -2.479) 4.716 2.667 ( -5.387 4.082 -3.250) 7.500 2.753 ( -0.172 0.286 -3.395) 3.411 2.813 ( 1.699 1.509 8.188) 8.497 2.914 ( 1.513 2.020 -5.335) 5.902 3.047 ( -0.064 -3.526 -1.450) 3.813 3.124 ( 7.188 -2.235 0.881) 7.579 3.217 ( 1.990 -1.307 -0.838) 2.524 3.301 ( -2.716 1.387 -2.901) 4.209 3.418 ( -3.459 -0.998 3.991) 5.375 3.566 ( 4.020 -2.089 -2.705) 5.276 3.681 ( -2.314 -0.938 2.342) 3.423 3.731 ( 2.251 2.016 -3.714) 4.788 3.902 ( 3.201 1.756 -4.643) 5.907 3.990 ( 2.465 -3.398 -2.624) 4.950 4.036 ( -0.847 -4.529 0.429) 4.627 4.119 ( 2.476 -2.121 -2.221) 3.945 4.157 ( 0.037 2.753 0.027) 2.754 4.254 ( 0.731 -0.398 0.215) 0.860 4.299 ( -1.287 0.405 -0.841) 1.590 4.406 ( 0.004 -3.420 0.522) 3.460 4.429 ( -2.023 0.820 0.193) 2.191 4.739 ( 0.427 -0.544 1.558) 1.704 4.749 ( -1.005 -0.208 -0.896) 1.363 4.854 ( 1.077 1.911 4.944) 5.409 4.969 ( 0.169 2.985 2.549) 3.929 5.316 ( -2.786 1.061 -2.750) 4.056 5.412 ( -2.112 0.894 -6.378) 6.777 5.627 ( 6.792 -6.505 0.907) 9.448 5.752 ( 2.862 -2.789 -2.062) 4.497 5.828 ( -1.651 -5.440 3.624) 6.742 5.947 ( 1.822 -4.594 -0.615) 4.980 6.021 ( 1.736 -1.944 2.631) 3.703 6.035 ( 1.649 0.036 4.468) 4.763 6.108 ( 2.334 -1.399 4.792) 5.511 6.205 ( 1.018 0.943 0.782) 1.593 6.332 ( -3.259 0.463 -5.184) 6.141 6.406 ( -0.281 -5.021 3.072) 5.893 6.632 ( -0.981 -1.354 3.154) 3.570 6.653 ( 1.124 -4.060 0.119) 4.215 6.736 ( 1.196 2.521 0.992) 2.961 6.814 ( 1.872 -0.970 -0.723) 2.229 6.859 ( 2.215 -1.819 6.685) 7.274 6.964 ( 0.563 -1.554 -2.190) 2.744 7.114 ( 1.450 -3.126 0.903) 3.563 7.249 ( 1.035 -0.632 0.861) 1.487 7.259 ( -0.213 -0.797 -2.282) 2.427 7.338 ( 0.493 -0.725 0.143) 0.889 7.416 ( -0.988 0.028 3.251) 3.398 7.497 ( 0.707 2.432 -2.612) 3.638 7.554 ( -3.344 2.052 3.776) 5.445 7.637 ( 1.195 3.132 -3.185) 4.624 7.795 ( 0.518 -2.661 -1.889) 3.305 7.809 ( -0.897 -0.373 -0.712) 1.205 7.823 ( -1.912 -2.232 1.884) 3.491 7.946 ( -1.322 -0.242 -1.653) 2.131 8.058 ( 2.642 -2.436 0.583) 3.641 8.094 ( 0.439 0.612 0.958) 1.218 8.125 ( 0.741 -0.938 0.337) 1.242 8.161 ( 0.031 2.291 0.223) 2.302 8.309 ( 2.104 -0.473 -3.596) 4.194 8.414 ( -3.306 -0.002 -0.831) 3.409 8.462 ( 3.590 0.540 -1.053) 3.780 8.555 ( -3.010 -0.058 -1.336) 3.293 8.629 ( 1.413 0.764 1.603) 2.269 8.743 ( -2.251 1.204 -0.823) 2.682 8.849 ( 1.781 -0.318 1.882) 2.610 8.932 ( 0.040 -0.889 2.140) 2.318 12.304 ( 0.294 8.474 0.587) 8.499 12.414 ( 4.494 14.765 -4.878) 16.186 13.810 ( -5.088 -3.955 5.169) 8.261 14.029 ( -4.298 -7.086 -10.222) 13.159 16.959 ( 0.054 0.690 0.879) 1.119 17.013 ( -1.083 -1.347 1.067) 2.031 17.136 ( -1.709 3.189 2.682) 4.503 17.146 ( -2.086 2.831 4.553) 5.753 17.214 ( 0.375 1.974 -3.462) 4.003 17.261 ( -0.898 2.803 -2.526) 3.878 17.310 ( -1.996 2.720 -4.004) 5.236 17.360 ( -5.988 2.210 -5.795) 8.621 17.584 ( 5.217 -2.002 9.263) 10.818 17.813 ( 3.762 -4.580 0.418) 5.941 17.900 ( 1.612 -0.879 -1.439) 2.333 17.971 ( 1.309 -3.857 1.806) 4.456 18.028 ( 0.299 -3.394 2.323) 4.124 18.034 ( 0.878 -1.999 -1.226) 2.504 18.070 ( -0.640 -1.666 -0.144) 1.790 18.150 ( 0.308 -2.299 -0.744) 2.436 18.728 ( -1.878 0.938 -0.314) 2.123 18.742 ( -1.116 0.279 -0.177) 1.164 18.981 ( 6.937 2.143 0.634) 7.288 19.032 ( 2.490 -2.200 3.450) 4.790 19.298 ( -1.818 -1.286 0.162) 2.233 19.526 ( -1.450 -2.146 -5.262) 5.865 19.629 ( -1.385 -3.146 2.917) 4.508 19.736 ( 2.993 -3.171 -1.897) 4.755 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 2.576 12.940 7.453) 15.153 1.286 ( 15.517 14.171 20.194) 29.144 1.349 ( -2.634 4.424 -10.013) 11.259 1.703 ( -14.447 8.299 -21.512) 27.209 1.965 ( -5.926 12.194 11.640) 17.869 1.992 ( 5.215 0.014 1.799) 5.517 2.080 ( -7.067 5.105 2.659) 9.114 2.175 ( 4.271 5.717 -0.661) 7.167 2.306 ( 1.124 7.761 8.194) 11.342 2.514 ( -0.659 10.341 -9.041) 13.751 2.519 ( 0.704 0.241 4.392) 4.455 2.590 ( -2.050 0.035 0.616) 2.141 2.590 ( -3.065 0.747 -1.833) 3.649 2.679 ( 0.767 0.714 -4.558) 4.677 2.858 ( 0.988 4.343 3.889) 5.913 2.887 ( -2.089 -2.463 -1.428) 3.531 2.938 ( 0.872 4.021 -1.422) 4.354 2.993 ( 4.076 1.421 -0.124) 4.318 3.130 ( 1.195 -2.527 -1.937) 3.401 3.192 ( 3.674 0.405 -4.945) 6.174 3.268 ( -7.380 -4.450 3.373) 9.254 3.346 ( 5.382 -2.716 -4.273) 7.390 3.650 ( 1.617 2.462 5.644) 6.366 3.703 ( -0.313 0.342 4.379) 4.404 3.752 ( -1.065 2.055 -4.319) 4.900 3.801 ( -0.812 -2.262 -4.155) 4.801 3.925 ( 1.626 -1.653 0.131) 2.322 3.995 ( -3.314 -1.447 -6.716) 7.627 4.130 ( 3.089 -0.599 6.009) 6.783 4.206 ( 0.718 -1.344 3.186) 3.532 4.217 ( -0.151 -2.882 -2.238) 3.652 4.265 ( -2.155 -0.578 -1.327) 2.596 4.324 ( -0.023 -3.667 -0.674) 3.728 4.353 ( 0.026 -3.333 -2.440) 4.131 4.738 ( 0.250 -1.247 0.902) 1.559 4.749 ( -0.838 -0.775 -0.097) 1.145 4.946 ( -1.260 0.571 4.045) 4.275 5.000 ( 1.214 0.392 -1.187) 1.743 5.334 ( 0.964 0.632 2.569) 2.816 5.391 ( -0.693 1.741 -3.102) 3.624 5.561 ( -5.255 -3.683 3.186) 7.164 5.624 ( 5.002 -3.931 -2.868) 6.978 5.779 ( 1.428 -7.415 2.131) 7.846 5.820 ( -0.589 -6.760 -2.263) 7.153 6.001 ( -1.011 -5.533 7.175) 9.117 6.109 ( -1.022 -0.713 -4.239) 4.418 6.147 ( 1.301 -2.204 3.434) 4.283 6.198 ( 2.519 -3.157 2.583) 4.794 6.231 ( 0.414 -2.989 1.555) 3.394 6.327 ( -1.959 -4.795 -1.304) 5.341 6.522 ( -0.278 -4.361 0.361) 4.385 6.603 ( -0.052 -2.122 -5.353) 5.759 6.792 ( 0.244 -1.009 1.785) 2.065 6.832 ( -1.910 0.093 0.229) 1.926 6.869 ( -0.747 -0.271 0.334) 0.862 6.928 ( 4.429 1.540 -3.055) 5.597 7.101 ( 0.030 -0.916 2.370) 2.541 7.152 ( -1.551 -1.635 -2.632) 3.465 7.292 ( 0.106 -0.851 2.229) 2.388 7.337 ( 1.427 -0.300 -2.177) 2.620 7.447 ( -0.722 1.881 4.470) 4.903 7.525 ( 0.388 2.173 -3.383) 4.040 7.604 ( -1.202 3.501 3.241) 4.920 7.669 ( 1.031 1.547 -3.289) 3.779 7.741 ( -0.478 -2.000 1.343) 2.456 7.770 ( 0.980 -1.690 -1.321) 2.359 7.835 ( 0.344 1.086 3.523) 3.703 7.903 ( -0.898 0.893 -3.062) 3.313 8.051 ( -2.554 -2.160 2.365) 4.097 8.087 ( 2.489 -1.235 -1.538) 3.176 8.170 ( 0.771 1.576 0.460) 1.814 8.182 ( -0.557 1.152 -0.517) 1.380 8.337 ( 2.744 0.042 0.053) 2.744 8.349 ( -3.037 1.068 -1.012) 3.374 8.492 ( -2.595 0.172 0.776) 2.714 8.519 ( 2.602 0.377 -1.825) 3.200 8.689 ( 1.149 1.156 1.049) 1.938 8.711 ( -1.945 1.207 -1.277) 2.622 8.891 ( 0.615 -0.739 1.898) 2.128 8.915 ( 0.015 -0.688 -0.528) 0.867 12.565 ( 0.471 12.917 3.705) 13.446 12.665 ( -0.238 12.093 -7.054) 14.002 13.699 ( -0.735 -6.573 4.248) 7.861 13.784 ( 0.868 -8.358 -4.495) 9.529 17.039 ( 1.666 1.269 2.804) 3.500 17.069 ( 3.658 2.442 2.072) 4.862 17.099 ( -1.470 -0.022 -2.402) 2.816 17.124 ( -5.443 1.457 -2.521) 6.172 17.238 ( -2.785 2.828 4.768) 6.203 17.267 ( -5.111 4.224 3.139) 7.336 17.341 ( 3.060 2.873 -3.355) 5.373 17.362 ( 1.767 3.566 -5.461) 6.758 17.710 ( 1.967 -2.882 6.914) 7.745 17.792 ( -1.279 -4.988 -0.158) 5.152 17.826 ( 4.448 -4.028 -0.693) 6.041 17.854 ( -2.220 -5.981 -1.505) 6.554 17.989 ( -0.136 -1.844 -0.885) 2.050 17.992 ( 0.782 -1.344 -1.341) 2.054 18.074 ( 0.620 -0.399 1.137) 1.356 18.105 ( -0.273 -0.969 -1.633) 1.918 18.742 ( 0.349 1.546 0.076) 1.587 18.745 ( 0.027 0.895 -0.206) 0.919 18.984 ( -2.606 -4.363 3.507) 6.174 19.054 ( 3.325 -4.730 -3.656) 6.841 19.304 ( 2.691 0.972 3.108) 4.224 19.369 ( -3.714 -2.459 -3.612) 5.735 19.582 ( -1.358 -4.353 4.334) 6.291 19.651 ( 1.447 -4.935 -2.951) 5.929 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -2.000 8.318 -11.551) 14.374 1.333 ( 0.985 4.671 -14.235) 15.014 1.363 ( 6.806 11.734 6.560) 15.068 1.763 ( 7.885 14.732 19.293) 25.523 1.860 ( -7.960 -1.744 -1.491) 8.284 2.043 ( -0.557 0.594 2.516) 2.645 2.087 ( -0.257 6.168 6.544) 8.996 2.232 ( 2.166 7.697 -0.815) 8.037 2.351 ( -1.624 8.204 -0.745) 8.396 2.426 ( -1.496 9.364 -1.452) 9.593 2.512 ( -2.154 -1.050 -3.227) 4.019 2.597 ( 2.352 7.621 9.771) 12.613 2.640 ( 0.940 -0.532 1.788) 2.089 2.672 ( 2.556 -1.659 -0.737) 3.135 2.801 ( 0.406 4.427 -4.847) 6.577 2.860 ( -3.964 -4.615 5.430) 8.155 2.992 ( -1.352 2.450 -3.009) 4.109 3.028 ( 3.984 -3.333 -6.468) 8.296 3.111 ( -1.040 2.729 -4.256) 5.162 3.139 ( 1.733 -0.166 2.353) 2.927 3.222 ( -1.149 -2.617 -1.316) 3.147 3.441 ( 4.675 -1.340 -1.138) 4.995 3.624 ( -5.548 1.540 -2.400) 6.238 3.667 ( -1.840 1.652 1.754) 3.032 3.766 ( 0.600 2.826 1.710) 3.357 3.788 ( 1.012 -3.704 -0.151) 3.843 3.890 ( -2.078 0.810 2.075) 3.046 3.991 ( 0.800 -1.874 1.130) 2.330 4.106 ( -3.544 0.230 -6.371) 7.294 4.201 ( -0.978 -3.825 0.604) 3.994 4.220 ( -0.486 -0.851 -0.079) 0.984 4.277 ( 1.028 -1.337 3.184) 3.603 4.337 ( 1.035 -3.114 0.372) 3.302 4.363 ( 3.309 -3.568 -0.064) 4.866 4.721 ( -2.023 -2.272 0.150) 3.046 4.741 ( -1.342 -1.049 0.829) 1.895 4.937 ( -1.626 0.864 1.907) 2.651 5.032 ( 2.548 0.793 -1.897) 3.274 5.351 ( 0.177 0.060 -3.035) 3.041 5.389 ( 1.876 2.484 2.355) 3.903 5.489 ( -5.135 -2.520 2.902) 6.413 5.666 ( 1.830 -2.582 -2.218) 3.865 5.775 ( -0.077 -6.817 -1.476) 6.975 5.816 ( -0.243 -6.759 0.054) 6.764 6.000 ( -2.759 1.075 1.453) 3.299 6.033 ( -6.088 -10.232 5.687) 13.195 6.095 ( -3.564 -3.069 -5.036) 6.891 6.197 ( -3.130 -2.321 -5.911) 7.080 6.257 ( 2.158 -1.689 1.661) 3.204 6.379 ( 4.124 -1.670 1.216) 4.613 6.534 ( 0.588 -5.220 0.550) 5.282 6.604 ( 2.585 -4.493 0.575) 5.215 6.790 ( -2.548 -1.163 0.373) 2.826 6.814 ( -0.524 -1.522 1.270) 2.050 6.837 ( -0.444 1.509 -0.646) 1.700 6.967 ( 3.418 3.340 -4.024) 6.247 7.107 ( -0.149 -0.800 -1.842) 2.014 7.144 ( 0.487 -0.702 3.916) 4.008 7.305 ( -0.722 -2.206 0.815) 2.460 7.334 ( 1.046 -0.186 -3.372) 3.535 7.483 ( -0.066 2.736 2.131) 3.469 7.517 ( 1.932 2.390 -1.637) 3.482 7.615 ( -1.131 3.025 3.238) 4.574 7.666 ( 2.084 2.101 -2.556) 3.910 7.736 ( -0.901 -1.214 -0.250) 1.532 7.779 ( 1.326 -2.291 -0.578) 2.709 7.866 ( 0.446 1.254 -2.563) 2.888 7.897 ( 1.698 0.598 3.613) 4.037 7.998 ( -3.529 -2.498 0.885) 4.413 8.120 ( 0.799 0.007 -0.750) 1.096 8.133 ( -1.233 0.583 -0.938) 1.655 8.206 ( -0.707 0.882 -0.042) 1.131 8.291 ( -0.363 2.203 -0.187) 2.241 8.403 ( 2.727 -0.461 0.657) 2.842 8.450 ( -2.981 0.735 1.171) 3.286 8.546 ( 2.128 -0.305 -1.020) 2.380 8.669 ( -1.543 1.493 -0.464) 2.197 8.730 ( 1.401 0.800 1.972) 2.548 8.874 ( -1.570 -0.468 -0.841) 1.841 8.937 ( 1.397 -0.986 -0.451) 1.769 12.557 ( -2.907 12.334 -1.043) 12.715 12.621 ( -0.370 13.575 0.778) 13.602 13.733 ( 0.666 -8.636 1.864) 8.860 13.799 ( 3.916 -7.709 -1.960) 8.867 16.986 ( -3.169 0.348 -1.273) 3.433 17.019 ( -1.742 0.410 -0.821) 1.969 17.168 ( 4.409 0.444 1.996) 4.860 17.198 ( 1.730 1.363 4.196) 4.739 17.215 ( -4.652 2.663 4.358) 6.908 17.283 ( 2.839 3.305 5.095) 6.704 17.332 ( 2.156 2.247 -2.702) 4.123 17.381 ( 2.297 4.441 -2.295) 5.501 17.659 ( -5.223 -5.488 -2.908) 8.115 17.689 ( -8.075 -7.711 -2.042) 11.351 17.851 ( 3.016 -1.712 -0.262) 3.478 17.910 ( 1.080 -2.192 0.195) 2.451 17.967 ( 0.408 -2.886 -1.269) 3.179 18.022 ( 1.929 -1.000 -0.273) 2.190 18.063 ( -1.450 -1.044 -1.965) 2.656 18.095 ( -0.126 -0.364 0.911) 0.989 18.743 ( 0.751 0.721 -0.393) 1.113 18.765 ( 1.657 1.201 -0.348) 2.076 18.942 ( -4.718 -3.012 2.435) 6.104 19.034 ( -1.349 -4.083 -3.443) 5.509 19.274 ( -1.161 -2.461 -0.643) 2.796 19.436 ( 4.945 1.049 2.428) 5.608 19.558 ( -3.394 -5.415 2.191) 6.756 19.666 ( 1.724 -3.315 -2.331) 4.404 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 14.781 1.571 -5.432) 15.826 1.369 ( 12.210 4.723 -4.897) 13.978 1.496 ( -5.438 6.737 4.731) 9.866 1.735 ( 2.448 1.975 2.978) 4.331 1.992 ( -1.231 5.943 11.130) 12.677 2.046 ( -2.926 6.979 9.018) 11.772 2.110 ( 1.598 -1.419 -0.077) 2.139 2.213 ( -9.229 6.999 6.803) 13.433 2.343 ( -0.166 7.684 -8.797) 11.681 2.353 ( -0.751 5.335 -3.453) 6.399 2.412 ( -5.006 0.659 3.324) 6.046 2.569 ( -3.656 -1.899 -3.610) 5.477 2.681 ( 0.836 6.551 -7.911) 10.305 2.715 ( -0.535 -4.586 -0.469) 4.641 2.816 ( -3.392 1.596 -0.589) 3.795 2.922 ( -5.204 2.283 -2.822) 6.344 2.946 ( 6.357 3.035 4.777) 8.511 3.016 ( 5.126 3.548 -1.667) 6.454 3.039 ( 2.907 -6.428 -6.959) 9.910 3.177 ( -1.125 3.753 0.020) 3.918 3.211 ( 1.058 -1.792 3.887) 4.409 3.538 ( 6.256 2.682 3.112) 7.484 3.562 ( -0.897 -0.234 0.566) 1.086 3.678 ( 0.772 0.189 2.855) 2.964 3.771 ( -0.788 3.251 1.038) 3.502 3.798 ( -1.370 -2.694 1.789) 3.512 3.881 ( -0.904 1.733 -0.440) 2.003 3.956 ( -2.508 0.896 -0.657) 2.743 4.018 ( -0.732 -2.819 -2.726) 3.990 4.168 ( -1.656 -2.266 -1.409) 3.140 4.207 ( -2.402 -3.712 1.370) 4.628 4.294 ( -0.415 -0.750 -0.159) 0.872 4.383 ( 2.840 -1.904 1.574) 3.764 4.458 ( 5.407 -3.090 0.790) 6.277 4.656 ( -4.503 -3.262 -0.437) 5.578 4.715 ( -2.485 -1.194 -0.104) 2.759 4.938 ( -0.141 3.124 1.881) 3.649 5.041 ( 0.919 3.139 -2.784) 4.296 5.343 ( 0.885 -1.301 -0.181) 1.584 5.430 ( 0.618 1.131 1.791) 2.206 5.482 ( 2.231 -3.401 1.647) 4.389 5.638 ( -2.878 -0.182 0.239) 2.894 5.780 ( -3.250 -4.442 -2.524) 6.055 5.797 ( 3.267 -6.725 -0.437) 7.489 5.884 ( -6.568 -10.095 -2.836) 12.373 5.996 ( 0.520 -6.324 -3.551) 7.271 6.069 ( -3.621 -5.735 -0.284) 6.788 6.093 ( -0.146 4.132 6.309) 7.543 6.264 ( -1.426 -4.096 -4.925) 6.563 6.412 ( 1.240 1.285 1.827) 2.556 6.582 ( 1.521 -1.796 0.203) 2.363 6.640 ( 0.414 -1.231 0.402) 1.359 6.759 ( 0.268 -0.989 -1.344) 1.690 6.798 ( -1.893 -4.157 0.995) 4.674 6.866 ( 1.994 1.080 1.451) 2.692 6.967 ( 0.888 4.593 -3.700) 5.964 7.127 ( 3.336 1.052 -0.012) 3.498 7.188 ( 0.814 -1.203 2.552) 2.937 7.276 ( -2.836 -1.356 -0.018) 3.143 7.315 ( 0.717 -0.207 -3.434) 3.514 7.491 ( -0.293 3.240 0.892) 3.373 7.529 ( 0.201 1.925 -1.205) 2.280 7.630 ( -0.818 2.639 3.539) 4.490 7.707 ( 3.304 2.086 0.067) 3.908 7.718 ( -0.276 -1.176 -0.599) 1.348 7.798 ( 1.194 -2.636 -0.802) 3.003 7.865 ( 1.443 1.288 -1.510) 2.454 7.934 ( -3.102 -2.037 1.791) 4.121 7.977 ( 2.765 0.419 0.447) 2.832 8.096 ( -1.607 0.429 -0.138) 1.669 8.116 ( -1.146 0.469 -0.549) 1.355 8.156 ( -2.040 1.146 -1.472) 2.765 8.320 ( 2.045 1.747 0.005) 2.690 8.404 ( -2.885 0.527 0.554) 2.985 8.447 ( 1.294 -0.609 1.246) 1.897 8.571 ( 1.002 -2.428 -1.418) 2.985 8.652 ( 0.003 3.003 1.342) 3.290 8.773 ( 0.465 0.861 1.831) 2.076 8.838 ( -0.699 0.107 -0.799) 1.067 8.942 ( 0.340 -0.652 -1.729) 1.879 12.515 ( -0.642 12.089 0.142) 12.107 12.604 ( -2.025 13.808 0.166) 13.957 13.773 ( 2.296 -10.706 1.135) 11.008 13.854 ( 1.944 -8.441 0.097) 8.662 16.958 ( 0.734 -0.612 0.091) 0.960 17.017 ( 1.667 -1.074 0.471) 2.038 17.170 ( -4.046 1.375 3.190) 5.332 17.186 ( -3.904 1.287 1.990) 4.567 17.277 ( 3.827 2.092 -1.182) 4.519 17.290 ( -2.674 1.301 1.159) 3.192 17.351 ( -4.051 0.952 -0.393) 4.180 17.463 ( 2.792 -3.991 -4.115) 6.376 17.511 ( 1.375 -0.585 1.417) 2.059 17.637 ( 0.996 -5.103 3.758) 6.416 17.873 ( -0.588 0.236 -0.164) 0.654 17.900 ( -0.760 -1.270 -1.292) 1.965 17.957 ( -0.760 -2.116 -1.609) 2.765 17.994 ( -0.025 -2.651 -5.720) 6.305 18.060 ( 0.704 -1.199 0.955) 1.687 18.099 ( -0.512 0.460 0.787) 1.045 18.766 ( 1.952 -0.576 -0.069) 2.036 18.798 ( 2.542 0.432 -0.715) 2.676 18.882 ( -3.567 -1.350 1.817) 4.225 18.954 ( -3.499 -1.875 -2.616) 4.754 19.298 ( 2.517 -2.566 1.879) 4.055 19.504 ( 0.437 -1.008 0.916) 1.430 19.534 ( -2.520 -3.100 2.861) 4.914 19.652 ( 0.644 -2.678 -3.592) 4.527 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -13.144 1.211 3.666) 13.699 1.433 ( 13.486 -6.670 -7.991) 17.036 1.725 ( 17.985 5.421 7.319) 20.160 1.829 ( -10.925 4.563 -1.993) 12.007 2.005 ( -2.382 11.059 8.263) 14.009 2.084 ( 0.988 1.345 8.094) 8.264 2.107 ( -3.230 -2.252 6.767) 7.829 2.137 ( -2.490 1.863 -2.237) 3.831 2.244 ( 1.075 1.413 -2.946) 3.440 2.278 ( -2.534 -1.092 -5.710) 6.342 2.417 ( -2.662 8.042 1.409) 8.587 2.451 ( -2.034 6.832 2.450) 7.537 2.602 ( -3.119 4.674 0.616) 5.653 2.694 ( 0.806 4.936 -4.129) 6.485 2.734 ( 0.606 0.937 -4.308) 4.450 2.777 ( 0.861 1.809 -7.120) 7.396 2.980 ( -2.507 -4.020 0.411) 4.755 3.034 ( 2.733 -3.727 -4.658) 6.561 3.122 ( -2.258 3.250 2.215) 4.535 3.162 ( 4.202 4.360 -1.977) 6.370 3.382 ( 4.535 -1.403 8.209) 9.482 3.531 ( -0.005 -4.115 -6.679) 7.845 3.638 ( -3.221 6.566 5.395) 9.088 3.733 ( 2.437 -0.767 -0.337) 2.577 3.750 ( -1.253 -3.042 3.465) 4.778 3.786 ( 1.910 5.888 -1.447) 6.357 3.909 ( 0.043 -3.064 0.319) 3.081 3.933 ( 2.041 2.029 -2.996) 4.154 4.045 ( 4.646 -2.332 3.467) 6.249 4.111 ( -2.885 -1.939 -2.142) 4.083 4.166 ( -2.575 -2.402 3.558) 5.006 4.263 ( -0.074 -0.407 -4.479) 4.498 4.460 ( 2.612 -1.653 2.360) 3.889 4.496 ( -3.535 -2.100 -1.343) 4.325 4.618 ( 2.883 -3.090 1.142) 4.378 4.648 ( -2.684 -1.451 -1.790) 3.537 4.964 ( -0.371 4.345 3.140) 5.374 5.014 ( -0.629 5.215 -2.491) 5.814 5.402 ( 3.367 -1.491 4.165) 5.559 5.455 ( -3.835 -3.034 -1.555) 5.131 5.501 ( 1.439 -2.472 4.121) 5.017 5.620 ( -0.843 -5.121 -5.088) 7.268 5.714 ( 2.604 -2.620 1.161) 3.872 5.749 ( -5.497 -5.286 -1.280) 7.733 5.875 ( 4.257 -4.408 1.654) 6.347 5.935 ( -4.684 -5.337 -4.550) 8.434 6.023 ( 1.989 -8.688 2.321) 9.210 6.122 ( -2.351 -7.522 -7.989) 11.222 6.277 ( 3.463 4.358 11.493) 12.770 6.441 ( -0.273 1.393 -1.667) 2.190 6.564 ( -2.319 4.039 -0.028) 4.658 6.633 ( 1.056 1.023 -3.463) 3.762 6.761 ( -1.999 -4.935 0.429) 5.342 6.777 ( 2.674 -3.473 -1.585) 4.661 6.918 ( 1.053 2.727 1.733) 3.398 6.945 ( -0.582 3.377 -1.581) 3.774 7.195 ( -0.639 0.981 1.529) 1.926 7.212 ( 1.916 0.265 0.436) 1.982 7.234 ( -1.418 -1.793 0.922) 2.465 7.283 ( 0.895 -1.192 -4.307) 4.558 7.472 ( -3.818 3.422 3.662) 6.301 7.537 ( 3.080 2.174 -3.274) 4.993 7.655 ( -0.555 2.120 3.784) 4.373 7.708 ( 0.079 0.030 -1.491) 1.493 7.762 ( 1.196 0.624 1.368) 1.921 7.798 ( -0.092 -1.830 -1.750) 2.534 7.880 ( -3.051 -1.617 0.197) 3.459 7.888 ( 2.325 -0.309 -0.564) 2.412 8.039 ( 0.969 0.750 1.088) 1.638 8.058 ( -0.693 1.506 -0.798) 1.840 8.088 ( -1.736 0.486 1.719) 2.491 8.132 ( 1.763 0.145 -2.821) 3.330 8.351 ( -0.316 1.298 0.451) 1.411 8.362 ( 0.369 0.362 -0.826) 0.975 8.487 ( 0.740 -1.307 2.894) 3.260 8.546 ( -0.817 -1.529 -3.055) 3.512 8.694 ( 1.284 2.110 3.174) 4.022 8.753 ( -1.312 1.360 -2.499) 3.133 8.857 ( 0.408 0.385 3.145) 3.194 8.918 ( -0.408 -0.061 -2.870) 2.900 12.532 ( 0.669 12.503 1.575) 12.619 12.565 ( -0.251 13.217 -1.739) 13.333 13.808 ( -3.321 -9.585 3.904) 10.869 13.881 ( 4.302 -11.696 -3.461) 12.934 17.012 ( 2.909 -0.377 2.988) 4.188 17.074 ( -0.927 -0.682 0.929) 1.479 17.088 ( -1.017 0.380 -1.754) 2.063 17.124 ( -1.368 0.568 -1.303) 1.973 17.240 ( -4.610 -0.677 3.693) 5.945 17.277 ( -4.556 -0.823 4.853) 6.707 17.314 ( 2.846 0.437 -2.870) 4.065 17.414 ( 2.770 -2.203 -7.308) 8.120 17.673 ( 4.603 1.621 7.118) 8.630 17.726 ( 0.929 -2.458 4.347) 5.080 17.812 ( -2.552 1.734 -2.818) 4.179 17.859 ( -0.803 -1.296 -4.594) 4.840 17.925 ( -0.589 -2.787 -0.516) 2.895 17.962 ( 1.388 -3.483 -3.861) 5.382 18.083 ( 0.872 -0.811 0.714) 1.388 18.089 ( -0.808 0.056 0.069) 0.813 18.810 ( 1.049 -1.620 0.848) 2.108 18.818 ( -1.238 -2.116 0.450) 2.492 18.863 ( -0.771 0.521 -0.469) 1.043 18.877 ( 1.154 -0.136 -1.662) 2.028 19.389 ( 3.587 -2.113 3.404) 5.378 19.450 ( -3.816 0.767 -2.777) 4.781 19.541 ( -0.998 -5.238 5.064) 7.354 19.633 ( 1.106 -2.678 -4.358) 5.233 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -12.147 3.450 4.711) 13.478 1.382 ( -21.832 11.434 -5.490) 25.249 1.599 ( 9.645 -3.539 -5.701) 11.750 1.833 ( -4.576 0.594 -5.203) 6.955 1.997 ( -7.138 1.901 6.706) 9.976 2.109 ( -1.787 4.906 4.278) 6.750 2.139 ( -2.304 4.798 5.489) 7.645 2.196 ( 2.716 -0.619 -0.669) 2.864 2.261 ( -1.073 5.942 1.317) 6.180 2.336 ( 10.756 8.041 -0.832) 13.455 2.451 ( 6.063 3.058 1.846) 7.037 2.493 ( 3.440 5.031 5.367) 8.121 2.593 ( 0.764 6.131 -1.655) 6.396 2.708 ( 2.417 4.000 1.311) 4.854 2.795 ( 5.963 1.250 -2.101) 6.445 2.830 ( 7.897 -2.089 4.012) 9.101 2.925 ( -3.483 -4.015 2.326) 5.802 2.992 ( -4.175 0.422 -2.954) 5.131 3.068 ( -3.996 -0.039 -1.773) 4.372 3.218 ( 3.650 5.036 -3.384) 7.080 3.346 ( -3.567 -4.148 -7.123) 8.981 3.496 ( -4.721 -0.092 2.918) 5.551 3.628 ( -0.266 5.407 -1.203) 5.545 3.724 ( -0.502 -1.573 -1.346) 2.131 3.757 ( -3.048 3.163 2.030) 4.838 3.831 ( 3.766 -1.700 -2.675) 4.922 3.873 ( 2.045 -2.932 -2.636) 4.441 3.995 ( 3.703 0.235 -0.433) 3.735 4.028 ( 0.490 -2.084 -3.859) 4.413 4.147 ( 1.637 -3.603 1.677) 4.298 4.212 ( 1.074 0.466 1.749) 2.105 4.257 ( 2.318 -1.431 1.184) 2.970 4.401 ( -4.265 -1.811 0.078) 4.634 4.469 ( -3.319 -2.975 -0.137) 4.460 4.646 ( 3.584 -1.560 0.249) 3.917 4.701 ( 3.644 -2.086 0.950) 4.304 4.946 ( -3.020 5.526 0.654) 6.331 5.005 ( -0.000 3.453 1.124) 3.631 5.354 ( -3.564 -2.660 -1.058) 4.571 5.481 ( -0.522 -2.470 -2.116) 3.294 5.515 ( -2.107 -3.722 -1.295) 4.469 5.610 ( 3.825 -4.124 6.040) 8.254 5.692 ( 0.683 -1.262 0.226) 1.452 5.812 ( 1.825 -8.800 3.567) 9.669 5.828 ( -0.912 -6.409 -2.641) 6.991 5.980 ( -1.214 -5.872 -2.182) 6.381 6.002 ( 1.426 -1.299 5.025) 5.383 6.114 ( 3.249 -11.146 2.567) 11.890 6.345 ( -0.702 5.103 -10.201) 11.428 6.444 ( 2.841 0.818 2.888) 4.133 6.539 ( -2.315 1.867 3.443) 4.550 6.623 ( 0.543 3.267 -0.144) 3.315 6.742 ( 0.372 -3.009 -0.179) 3.038 6.811 ( 1.288 -1.143 -0.428) 1.774 6.905 ( -1.884 1.222 -1.449) 2.673 6.928 ( -0.635 2.194 0.018) 2.284 7.149 ( -2.581 1.476 -1.430) 3.299 7.196 ( -1.814 -2.684 1.150) 3.437 7.272 ( 1.488 0.932 0.821) 1.938 7.293 ( 2.558 -1.495 -1.926) 3.533 7.441 ( -3.240 2.464 3.760) 5.541 7.558 ( 1.835 2.785 -2.306) 4.055 7.660 ( -2.693 2.989 1.574) 4.320 7.695 ( 0.370 -1.032 -0.867) 1.398 7.760 ( -0.735 -0.597 -2.872) 3.024 7.776 ( -0.926 -1.873 1.007) 2.320 7.840 ( -1.747 0.460 0.913) 2.024 7.938 ( 2.628 -2.227 0.495) 3.480 7.997 ( -1.859 0.847 -0.682) 2.153 8.084 ( 0.080 -0.073 1.556) 1.560 8.098 ( 1.703 1.051 -0.359) 2.033 8.161 ( 3.029 0.910 -1.002) 3.318 8.320 ( -1.258 0.234 -0.530) 1.385 8.407 ( 2.779 0.816 0.445) 2.930 8.492 ( -1.324 -0.126 -3.340) 3.595 8.525 ( -0.141 -2.285 3.171) 3.911 8.693 ( -1.278 2.109 -2.344) 3.402 8.758 ( 1.499 1.494 2.322) 3.142 8.861 ( -1.676 0.071 -1.497) 2.248 8.903 ( 0.433 0.356 1.547) 1.645 12.519 ( -0.838 12.509 -0.182) 12.538 12.617 ( 5.134 12.881 -0.990) 13.902 13.747 ( -5.152 -8.283 2.400) 10.045 13.913 ( 1.762 -12.811 -4.276) 13.620 16.984 ( -1.523 0.503 -2.250) 2.763 17.037 ( -2.367 0.102 -1.322) 2.713 17.142 ( 3.357 1.571 3.756) 5.277 17.194 ( 2.280 1.621 1.788) 3.320 17.217 ( -0.493 -0.617 3.972) 4.049 17.283 ( -0.170 -1.530 7.248) 7.410 17.346 ( 2.391 -0.751 -0.013) 2.507 17.401 ( 2.527 0.191 -5.239) 5.820 17.611 ( -6.851 3.242 -5.056) 9.111 17.756 ( -0.590 -1.229 -6.992) 7.123 17.825 ( -0.693 -5.372 4.956) 7.342 17.849 ( 3.218 -0.572 3.203) 4.576 17.928 ( 1.313 -1.417 -0.049) 1.933 17.963 ( 1.917 -2.808 -2.064) 3.977 18.074 ( -0.539 -0.594 -0.362) 0.880 18.107 ( 1.008 -0.292 0.097) 1.055 18.769 ( -2.198 -1.097 -0.171) 2.463 18.790 ( -2.563 0.791 -0.034) 2.683 18.897 ( 3.249 -2.445 1.770) 4.435 18.930 ( 3.868 -0.392 -1.779) 4.276 19.337 ( -3.779 -0.033 -1.886) 4.224 19.492 ( 1.804 -2.696 1.786) 3.703 19.564 ( -1.735 -4.414 3.501) 5.895 19.615 ( 2.240 -4.096 -3.191) 5.654 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.333 15.571 8.971) 18.277 1.134 ( -5.647 11.485 5.886) 14.087 1.538 ( -5.407 4.349 -10.078) 12.236 1.837 ( 7.032 -2.500 0.635) 7.490 1.980 ( -6.120 11.670 11.033) 17.186 2.079 ( -5.355 3.165 0.363) 6.231 2.131 ( -1.213 3.753 0.413) 3.966 2.146 ( -2.057 7.429 -8.065) 11.156 2.251 ( -2.054 5.860 3.853) 7.308 2.434 ( 2.695 0.401 3.315) 4.291 2.558 ( 3.411 8.016 -5.524) 10.316 2.609 ( 1.090 4.651 1.131) 4.909 2.654 ( 3.280 2.392 2.485) 4.759 2.732 ( 0.783 -1.072 -4.262) 4.464 2.832 ( -3.389 3.994 2.359) 5.745 2.888 ( -2.477 6.802 1.566) 7.407 2.920 ( -1.112 -4.889 -3.858) 6.327 2.957 ( 3.226 0.509 -0.246) 3.275 3.063 ( 7.893 -3.667 5.213) 10.146 3.195 ( -1.765 -0.676 -5.787) 6.088 3.268 ( 2.317 -3.627 -5.786) 7.211 3.423 ( -4.776 1.371 1.847) 5.301 3.589 ( -1.215 4.588 0.666) 4.793 3.681 ( -0.047 0.909 -0.958) 1.321 3.765 ( 1.505 0.035 -0.913) 1.761 3.834 ( 0.495 -3.937 -1.842) 4.375 3.953 ( 1.619 -1.886 -2.592) 3.591 3.990 ( 1.600 -0.628 2.940) 3.405 4.073 ( 4.597 -0.365 -5.724) 7.350 4.176 ( 0.771 -3.284 1.232) 3.591 4.227 ( -1.216 -1.959 0.705) 2.411 4.287 ( -0.450 -0.411 1.597) 1.709 4.352 ( -1.408 -2.858 -0.924) 3.317 4.397 ( -2.123 -3.555 -2.270) 4.722 4.714 ( 1.970 -1.912 0.780) 2.854 4.749 ( 1.086 -0.670 -0.090) 1.279 4.919 ( -1.055 4.143 2.885) 5.157 5.007 ( -0.808 0.982 0.712) 1.457 5.314 ( -0.801 -1.966 0.782) 2.263 5.438 ( -1.455 1.000 -2.654) 3.188 5.510 ( 4.227 -4.897 1.467) 6.633 5.651 ( -3.378 -5.086 -1.337) 6.250 5.739 ( 1.509 -4.592 2.131) 5.282 5.833 ( 1.410 -6.307 -0.577) 6.488 5.908 ( 2.118 -6.320 7.754) 10.225 5.975 ( 2.949 -5.876 6.784) 9.447 6.111 ( 2.208 -0.983 4.505) 5.112 6.178 ( 2.409 -8.382 -4.213) 9.686 6.259 ( -0.063 0.821 -2.005) 2.168 6.391 ( -3.844 2.031 -4.753) 6.441 6.556 ( -0.935 -3.452 0.517) 3.613 6.643 ( 0.045 1.209 -0.462) 1.295 6.771 ( 1.166 -1.643 1.281) 2.387 6.818 ( 1.409 3.994 -0.572) 4.274 6.873 ( -0.716 -0.627 0.924) 1.326 6.908 ( -0.437 0.054 -1.336) 1.407 7.100 ( -0.673 -0.060 -1.158) 1.341 7.191 ( -0.224 -1.380 -0.689) 1.559 7.278 ( -0.863 -0.356 1.338) 1.632 7.324 ( 1.670 -0.475 -0.738) 1.887 7.431 ( -1.909 1.573 3.864) 4.588 7.556 ( 0.134 3.136 -2.231) 3.851 7.611 ( -3.154 2.548 2.138) 4.583 7.687 ( 0.390 0.219 -2.514) 2.554 7.739 ( 0.674 -1.869 -1.341) 2.397 7.764 ( -1.175 -2.099 1.542) 2.857 7.824 ( -1.078 1.513 1.090) 2.154 7.947 ( -1.358 0.171 -0.980) 1.683 8.010 ( 3.283 -2.174 -0.262) 3.946 8.096 ( -0.748 -0.392 0.960) 1.279 8.127 ( 2.067 0.889 -0.125) 2.254 8.200 ( 0.600 1.567 0.524) 1.758 8.301 ( 0.734 0.044 -1.257) 1.457 8.418 ( -2.627 0.346 -0.838) 2.779 8.477 ( 3.368 0.811 -1.605) 3.818 8.530 ( -2.008 -1.846 1.350) 3.043 8.667 ( 0.530 2.420 -0.787) 2.600 8.767 ( -1.755 0.968 -1.587) 2.557 8.846 ( 1.149 0.063 1.664) 2.023 8.920 ( -0.399 -0.363 1.316) 1.422 12.523 ( 0.679 12.459 1.466) 12.564 12.689 ( 4.708 12.050 -5.044) 13.886 13.695 ( -3.000 -7.306 3.153) 8.504 13.852 ( -2.409 -10.040 -4.737) 11.360 16.975 ( 2.106 1.314 -0.468) 2.526 17.011 ( 0.947 1.208 -0.504) 1.616 17.169 ( -4.207 0.008 2.462) 4.874 17.188 ( -2.428 1.342 5.085) 5.792 17.291 ( 4.629 3.237 -2.537) 6.192 17.313 ( -2.530 1.621 -0.984) 3.162 17.358 ( -4.714 3.441 -1.258) 5.970 17.417 ( -1.130 2.635 -5.592) 6.284 17.529 ( 5.843 -3.198 7.211) 9.817 17.719 ( 5.585 -3.545 -4.678) 8.102 17.829 ( -2.455 -4.808 2.443) 5.926 17.900 ( -1.651 -5.402 2.604) 6.220 17.962 ( 2.561 -1.436 -1.431) 3.266 17.998 ( 1.776 -0.295 0.731) 1.943 18.060 ( -0.031 -0.357 -1.000) 1.063 18.117 ( 0.381 -0.737 -0.875) 1.206 18.741 ( -0.598 0.290 -0.136) 0.678 18.757 ( -1.193 1.155 0.370) 1.702 18.967 ( 0.729 -3.616 3.332) 4.970 18.990 ( 5.543 -1.787 -2.576) 6.368 19.275 ( -1.233 -0.568 -0.541) 1.462 19.474 ( -3.298 -2.841 -1.360) 4.561 19.558 ( -1.152 -3.799 2.696) 4.799 19.648 ( 1.952 -5.224 -1.066) 5.678 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.510 15.014 2.578) 15.887 1.482 ( -6.210 10.227 0.160) 11.966 1.619 ( 14.890 15.995 7.237) 23.020 1.856 ( -11.400 4.939 -10.969) 16.573 1.994 ( 7.503 0.500 2.818) 8.030 2.041 ( -6.214 3.823 -3.097) 7.926 2.229 ( -1.670 -0.140 5.333) 5.590 2.268 ( -2.215 4.081 3.085) 5.575 2.414 ( 0.619 -3.886 4.597) 6.051 2.464 ( 1.631 -3.348 1.012) 3.859 2.544 ( -1.871 -5.806 -3.458) 7.013 2.571 ( -1.938 -1.933 -3.349) 4.325 2.647 ( -1.025 5.952 6.496) 8.869 2.743 ( -3.889 2.257 2.808) 5.301 2.825 ( -2.202 4.351 -6.869) 8.424 2.874 ( 4.159 -5.199 -7.867) 10.306 3.014 ( 0.270 4.376 4.125) 6.020 3.079 ( 1.221 5.673 -2.579) 6.350 3.160 ( -0.991 0.902 3.418) 3.671 3.220 ( 8.397 3.097 2.244) 9.227 3.250 ( 1.515 3.751 -3.275) 5.205 3.324 ( -4.815 4.282 -6.827) 9.387 3.680 ( -0.043 0.233 6.998) 7.002 3.718 ( 0.459 1.178 1.112) 1.683 3.772 ( 1.549 -0.790 -0.027) 1.739 3.820 ( -3.311 2.709 -4.492) 6.203 3.914 ( 2.956 1.015 1.741) 3.578 3.965 ( -3.797 -2.700 -2.170) 5.140 4.079 ( 0.438 -4.393 4.869) 6.573 4.128 ( -1.639 -3.578 -1.729) 4.299 4.167 ( 3.237 -4.566 -0.051) 5.597 4.211 ( -1.436 -5.568 -2.565) 6.296 4.284 ( 0.012 0.845 0.562) 1.015 4.318 ( 0.341 2.169 -1.998) 2.969 4.678 ( 0.608 -4.745 0.504) 4.811 4.696 ( -0.775 -4.754 -1.198) 4.963 4.985 ( -3.227 3.519 1.377) 4.969 5.016 ( 2.768 1.821 -1.432) 3.610 5.278 ( 1.554 -4.675 3.147) 5.846 5.338 ( -1.753 -5.267 -3.355) 6.486 5.527 ( 2.843 -5.043 4.061) 7.071 5.555 ( -2.114 -5.350 0.810) 5.809 5.645 ( 0.282 -2.039 2.810) 3.484 5.717 ( -0.019 -1.491 -4.103) 4.365 5.919 ( -2.353 -1.782 6.958) 7.558 5.994 ( 5.267 -5.448 0.694) 7.609 6.107 ( 4.432 -3.726 9.259) 10.920 6.161 ( 2.339 -2.729 3.653) 5.125 6.239 ( -1.180 3.263 -6.875) 7.701 6.255 ( -6.917 -0.881 -4.185) 8.132 6.432 ( -0.207 -4.323 -1.842) 4.704 6.546 ( -1.647 -3.581 -9.303) 10.104 6.800 ( -0.021 1.343 1.352) 1.906 6.833 ( -0.171 0.250 -1.579) 1.608 6.912 ( -3.301 3.319 3.701) 5.967 6.985 ( 5.407 2.851 -3.205) 6.902 7.096 ( 1.160 0.266 1.797) 2.155 7.134 ( -2.411 -0.565 -1.729) 3.020 7.263 ( -0.632 -1.826 1.701) 2.574 7.311 ( 1.503 -2.128 -2.888) 3.889 7.501 ( -0.186 3.102 4.412) 5.396 7.562 ( -0.575 1.279 -1.308) 1.917 7.654 ( -0.184 0.225 -0.710) 0.767 7.659 ( 2.014 -1.548 -0.557) 2.600 7.728 ( 0.558 1.637 3.148) 3.592 7.779 ( -0.256 2.102 -2.203) 3.056 7.861 ( -0.402 1.064 3.495) 3.676 7.931 ( -0.291 1.507 -3.351) 3.686 8.006 ( -1.732 -1.679 3.763) 4.470 8.070 ( 1.644 -0.115 -2.934) 3.365 8.175 ( 2.637 -1.523 0.522) 3.090 8.185 ( -2.581 -0.828 -0.345) 2.732 8.353 ( 1.491 1.661 1.228) 2.547 8.380 ( -1.658 2.010 -1.363) 2.940 8.494 ( -1.799 -0.028 1.720) 2.489 8.523 ( 1.732 -0.100 -1.300) 2.168 8.719 ( 0.583 1.702 0.077) 1.801 8.735 ( -0.982 1.078 -1.428) 2.041 8.879 ( 0.335 -0.534 1.270) 1.418 8.899 ( -0.107 -0.886 -0.869) 1.246 12.828 ( 0.977 13.043 2.529) 13.322 12.889 ( -0.657 10.518 -3.798) 11.203 13.538 ( -0.421 -9.266 2.797) 9.688 13.590 ( 0.404 -10.724 -2.547) 11.030 17.074 ( -0.643 2.025 2.065) 2.962 17.109 ( 0.613 0.952 -0.976) 1.495 17.124 ( 3.352 2.609 1.333) 4.452 17.155 ( -5.279 1.647 -0.539) 5.556 17.269 ( -0.948 0.381 3.488) 3.634 17.320 ( -3.211 0.545 1.178) 3.464 17.375 ( -1.371 0.705 -2.878) 3.265 17.408 ( 3.301 0.511 -4.678) 5.748 17.655 ( -1.791 -2.148 5.446) 6.122 17.704 ( -4.284 -3.417 3.298) 6.395 17.746 ( 1.567 -2.994 -2.810) 4.395 17.771 ( 8.171 -2.062 -3.610) 9.168 17.969 ( 2.285 0.038 -0.666) 2.380 17.986 ( -2.175 0.523 -2.007) 3.006 18.065 ( 0.431 -0.838 0.908) 1.309 18.086 ( -0.507 -1.076 -1.303) 1.764 18.760 ( 0.014 0.778 0.620) 0.995 18.771 ( 0.310 1.328 -0.462) 1.440 18.896 ( -2.214 -4.159 2.762) 5.462 18.954 ( 2.276 -4.945 -3.099) 6.264 19.319 ( -5.319 -0.538 1.416) 5.530 19.338 ( 4.592 0.948 -0.529) 4.719 19.485 ( -3.419 -4.990 4.305) 7.424 19.555 ( 3.651 -4.462 -2.879) 6.444 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -6.812 9.166 0.364) 11.426 1.534 ( -3.617 12.058 -12.441) 17.698 1.639 ( 8.620 14.568 0.833) 16.948 1.844 ( -9.645 1.018 -4.280) 10.601 1.977 ( 7.857 1.235 5.693) 9.781 2.074 ( 0.511 6.418 4.541) 7.879 2.185 ( -5.732 2.415 5.287) 8.163 2.293 ( -3.867 -1.216 3.838) 5.582 2.382 ( -3.065 -6.673 -3.911) 8.320 2.466 ( 0.618 -0.426 -1.425) 1.610 2.530 ( 3.667 -8.364 1.266) 9.220 2.594 ( -0.267 1.076 5.326) 5.440 2.712 ( -4.950 -1.798 0.135) 5.268 2.724 ( -1.888 5.615 4.115) 7.213 2.769 ( 3.917 3.966 5.127) 7.574 2.900 ( 5.615 -2.918 -6.109) 8.795 2.948 ( -3.774 6.851 2.150) 8.112 3.051 ( -0.756 4.045 -5.249) 6.670 3.178 ( -3.174 2.390 -5.236) 6.572 3.224 ( 2.288 3.310 -0.620) 4.071 3.241 ( 3.071 7.404 -2.163) 8.302 3.433 ( 7.825 1.731 1.653) 8.183 3.668 ( -3.668 2.894 0.283) 4.681 3.711 ( -1.998 0.997 -1.932) 2.953 3.743 ( -0.560 -0.427 0.944) 1.178 3.823 ( 0.759 1.578 4.205) 4.555 3.890 ( -1.345 -0.530 -1.491) 2.077 3.994 ( 1.578 2.334 3.599) 4.571 4.071 ( -1.724 -6.836 0.182) 7.052 4.129 ( -2.223 -1.269 -5.299) 5.885 4.140 ( 0.417 -5.997 1.291) 6.149 4.216 ( 0.597 -5.123 2.314) 5.653 4.300 ( 0.881 0.116 0.637) 1.094 4.324 ( 2.657 1.300 -1.323) 3.241 4.649 ( -2.727 -4.833 -0.747) 5.600 4.688 ( -0.859 -4.545 0.729) 4.682 4.962 ( -0.991 2.301 2.668) 3.660 5.066 ( 3.839 2.969 -1.497) 5.079 5.286 ( -0.136 -4.887 -2.355) 5.426 5.345 ( 2.021 -4.468 2.770) 5.632 5.473 ( -3.416 -3.459 -2.139) 5.312 5.611 ( 1.166 -8.539 0.025) 8.618 5.659 ( 0.213 -1.466 0.683) 1.631 5.715 ( 1.735 -0.887 -0.711) 2.074 5.858 ( -8.391 -4.189 0.456) 9.390 5.996 ( -0.868 -0.913 -6.818) 6.933 6.085 ( -4.681 0.455 -2.914) 5.533 6.139 ( -1.350 -1.877 -1.695) 2.867 6.236 ( 1.804 -0.501 1.195) 2.221 6.348 ( 7.171 -1.179 5.679) 9.223 6.447 ( 0.380 -3.774 -3.373) 5.076 6.490 ( 1.205 -5.829 8.147) 10.090 6.767 ( -3.146 0.085 0.548) 3.195 6.816 ( -1.722 0.163 0.254) 1.748 6.897 ( -0.522 3.654 0.497) 3.725 7.040 ( 4.096 2.539 -4.205) 6.396 7.098 ( 0.919 0.372 -1.435) 1.744 7.148 ( 0.664 0.579 3.431) 3.543 7.257 ( -0.842 -2.234 0.538) 2.448 7.305 ( 0.854 -2.319 -2.556) 3.555 7.534 ( 0.623 2.299 -0.646) 2.468 7.567 ( 0.808 2.337 2.402) 3.448 7.639 ( 0.111 -0.729 -2.124) 2.248 7.688 ( 2.123 -1.146 -1.053) 2.632 7.743 ( -0.943 0.851 -2.086) 2.443 7.762 ( 0.362 2.605 1.394) 2.977 7.882 ( -0.325 -0.276 0.768) 0.878 7.934 ( 2.654 2.524 0.557) 3.705 7.975 ( -2.578 1.303 0.841) 3.008 8.106 ( 2.655 -1.225 -1.220) 3.169 8.130 ( -2.294 -1.048 -0.890) 2.674 8.212 ( -0.094 -0.749 0.808) 1.106 8.343 ( -0.114 2.708 -1.469) 3.083 8.396 ( 1.262 0.321 1.741) 2.175 8.466 ( -2.787 0.544 1.360) 3.149 8.530 ( 0.560 -1.074 -1.327) 1.797 8.707 ( -0.492 2.081 -0.231) 2.151 8.749 ( 1.408 1.073 1.126) 2.098 8.865 ( -1.234 -0.351 -0.371) 1.336 8.914 ( 1.119 -1.369 -0.112) 1.772 12.802 ( -2.810 11.916 -0.952) 12.280 12.889 ( 0.967 13.010 0.428) 13.053 13.529 ( -1.081 -11.182 0.599) 11.250 13.625 ( 3.365 -9.685 -0.554) 10.268 17.010 ( -3.922 1.968 -0.037) 4.389 17.046 ( -3.913 1.852 -0.425) 4.350 17.160 ( 0.530 -0.979 3.006) 3.206 17.201 ( 0.190 -0.770 4.199) 4.274 17.264 ( -1.683 1.735 1.496) 2.843 17.324 ( 0.386 -0.015 -1.693) 1.737 17.363 ( 4.140 1.516 2.554) 5.095 17.455 ( 1.885 2.527 -0.605) 3.210 17.548 ( -7.499 -4.946 -2.646) 9.364 17.570 ( -8.634 -3.647 2.616) 9.731 17.820 ( 4.832 -1.014 -3.408) 5.999 17.864 ( 4.693 -2.050 -3.345) 6.117 17.933 ( -0.935 -0.367 -1.459) 1.771 18.020 ( 1.613 0.134 0.872) 1.839 18.044 ( -1.241 -0.642 -0.759) 1.590 18.098 ( 1.164 0.196 0.584) 1.317 18.749 ( -0.594 0.042 -0.104) 0.604 18.789 ( 1.150 1.118 -0.397) 1.652 18.869 ( -3.119 -3.822 2.403) 5.488 18.950 ( 0.313 -4.015 -2.651) 4.822 19.237 ( -3.210 -0.790 1.999) 3.863 19.424 ( -1.761 -4.356 2.387) 5.270 19.478 ( 4.168 -0.148 0.327) 4.184 19.600 ( 3.609 -3.137 -3.856) 6.143 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.131 4.285 -1.559) 4.562 1.532 ( 2.977 5.933 -2.744) 7.182 1.621 ( -0.737 8.225 -3.274) 8.883 1.820 ( 6.032 4.319 1.578) 7.585 2.003 ( -1.177 -0.588 1.249) 1.814 2.076 ( -6.208 -5.879 1.237) 8.639 2.117 ( -3.077 -0.062 4.015) 5.059 2.234 ( -5.775 -1.490 4.840) 7.681 2.406 ( 3.612 3.047 1.192) 4.873 2.455 ( -6.257 1.144 -5.207) 8.220 2.532 ( -0.975 -1.477 2.888) 3.387 2.578 ( -3.644 1.892 -1.879) 4.516 2.639 ( -4.850 7.352 7.550) 11.600 2.775 ( 0.027 -1.786 5.347) 5.637 2.843 ( 0.777 -5.538 -4.144) 6.960 2.852 ( 4.835 0.591 -6.860) 8.414 2.970 ( -5.209 2.375 -4.266) 7.139 3.042 ( -0.918 5.914 -6.598) 8.908 3.124 ( 7.732 4.855 7.428) 11.770 3.227 ( 4.232 5.193 -2.142) 7.033 3.283 ( -0.996 4.395 -2.317) 5.067 3.548 ( 4.509 2.876 0.566) 5.378 3.588 ( -2.892 -1.041 -1.505) 3.422 3.735 ( 2.578 1.134 1.764) 3.324 3.759 ( 0.850 3.549 3.195) 4.851 3.845 ( -1.699 4.167 2.886) 5.346 3.881 ( -1.366 -2.407 3.128) 4.177 4.008 ( -1.713 1.095 -0.091) 2.035 4.050 ( 0.994 3.166 -4.470) 5.567 4.079 ( 0.505 -2.004 2.052) 2.912 4.131 ( -2.088 -4.300 0.568) 4.814 4.251 ( -0.121 -3.583 2.719) 4.500 4.328 ( 2.198 -2.611 0.080) 3.413 4.391 ( 5.032 -2.603 -0.641) 5.701 4.576 ( -4.325 -4.847 -0.405) 6.508 4.657 ( -2.701 -4.689 -0.761) 5.464 4.997 ( 0.626 3.170 4.156) 5.264 5.116 ( 2.912 4.481 -1.995) 5.704 5.297 ( 2.500 -3.210 -0.168) 4.072 5.396 ( 1.553 -4.226 0.130) 4.504 5.419 ( 0.152 -2.789 -0.963) 2.955 5.602 ( -1.262 -10.152 -0.464) 10.241 5.640 ( -5.457 -2.411 -3.387) 6.860 5.713 ( 0.173 -4.704 0.206) 4.712 5.736 ( -0.765 -0.413 0.496) 1.001 5.880 ( -1.853 -4.081 -7.078) 8.378 5.958 ( -3.960 -4.181 -5.625) 8.049 6.129 ( -0.251 -2.742 -7.779) 8.252 6.255 ( -0.246 4.597 8.582) 9.739 6.448 ( 1.964 2.058 4.192) 5.066 6.558 ( 4.905 -1.125 4.141) 6.517 6.587 ( 0.397 -3.996 7.403) 8.422 6.722 ( -2.253 -1.494 0.434) 2.738 6.760 ( -3.042 -0.064 -1.883) 3.578 6.913 ( 1.726 2.868 0.750) 3.431 7.045 ( 0.317 2.461 -2.711) 3.676 7.137 ( 3.861 0.266 -0.802) 3.952 7.178 ( 0.455 -0.215 1.603) 1.681 7.239 ( -1.617 -1.727 -0.675) 2.460 7.295 ( 0.482 -1.703 -2.285) 2.890 7.541 ( 1.763 1.583 -1.571) 2.843 7.572 ( -2.171 2.431 1.229) 3.483 7.645 ( 1.380 -1.325 0.364) 1.947 7.715 ( -0.900 1.969 0.333) 2.191 7.722 ( 2.716 -2.191 -1.700) 3.881 7.779 ( 1.075 1.010 -0.222) 1.492 7.880 ( -0.698 0.216 0.288) 0.786 7.938 ( -0.975 2.973 -1.370) 3.415 8.005 ( 3.510 2.276 1.067) 4.317 8.089 ( -1.253 -1.078 -0.054) 1.654 8.122 ( 0.259 -0.234 -1.484) 1.525 8.180 ( -3.012 0.776 -0.134) 3.114 8.352 ( 1.964 1.552 -1.098) 2.734 8.420 ( -3.187 0.934 1.205) 3.533 8.433 ( 0.627 -0.688 1.690) 1.929 8.522 ( 0.108 -2.299 -1.371) 2.679 8.710 ( 0.563 2.643 0.709) 2.794 8.787 ( 0.754 0.406 0.928) 1.263 8.844 ( -0.542 0.499 0.367) 0.823 8.923 ( 0.351 -1.283 -0.849) 1.578 12.765 ( -0.596 12.541 0.728) 12.576 12.885 ( -1.070 13.843 -1.079) 13.926 13.537 ( 0.914 -12.320 1.657) 12.464 13.663 ( 1.254 -10.487 -1.374) 10.651 16.969 ( -0.756 1.458 1.436) 2.182 17.012 ( -0.224 0.299 1.483) 1.530 17.168 ( -3.401 -1.385 4.573) 5.865 17.200 ( -4.039 -0.271 4.156) 5.802 17.283 ( -1.235 -1.525 -1.290) 2.348 17.298 ( 1.927 -0.335 -3.635) 4.128 17.323 ( -7.677 -2.854 -3.460) 8.891 17.372 ( -2.848 -2.658 -4.212) 5.737 17.538 ( 4.213 1.786 7.868) 9.102 17.591 ( 2.320 -0.155 5.801) 6.250 17.850 ( 2.952 -1.054 -4.607) 5.573 17.888 ( 1.251 -0.435 -2.040) 2.432 17.916 ( 1.266 -1.334 -2.976) 3.498 17.991 ( -2.635 0.431 -1.907) 3.281 18.050 ( 0.799 0.831 0.467) 1.244 18.120 ( 0.131 0.980 0.187) 1.006 18.746 ( 0.423 -1.254 -0.003) 1.324 18.793 ( -1.217 -1.361 0.835) 2.007 18.846 ( -0.160 -1.250 0.103) 1.265 18.915 ( -1.438 -1.997 -1.973) 3.154 19.251 ( 0.969 -1.539 4.394) 4.755 19.408 ( -2.635 -5.404 5.497) 8.146 19.539 ( 1.705 0.681 -3.800) 4.220 19.600 ( 2.369 -2.253 -5.849) 6.701 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 6.888 -1.659 -0.328) 7.093 1.378 ( -4.796 3.758 -6.363) 8.809 1.789 ( 1.322 -3.130 5.217) 6.226 1.868 ( -1.266 -2.460 -2.982) 4.068 2.019 ( 5.884 -1.096 9.125) 10.913 2.104 ( 0.966 3.324 6.214) 7.113 2.160 ( -4.388 3.381 1.192) 5.666 2.172 ( -2.959 -3.643 -1.624) 4.966 2.256 ( -0.909 7.530 -1.396) 7.712 2.359 ( -2.653 5.889 -8.200) 10.439 2.491 ( 0.866 -2.835 1.701) 3.418 2.555 ( 1.657 1.952 -1.862) 3.165 2.681 ( -1.138 6.311 7.466) 9.842 2.757 ( -2.920 -2.475 -0.048) 3.828 2.802 ( -5.784 4.304 0.602) 7.235 2.853 ( 2.044 4.526 -1.210) 5.112 2.896 ( 2.186 -2.944 -0.960) 3.790 2.980 ( -0.980 0.317 -5.536) 5.631 3.226 ( -1.385 6.219 -1.079) 6.462 3.264 ( 5.423 3.387 -2.455) 6.849 3.361 ( 5.893 1.413 2.493) 6.553 3.442 ( -3.633 -2.459 -5.946) 7.389 3.687 ( -1.304 -0.245 3.491) 3.734 3.729 ( 1.625 1.743 -1.177) 2.658 3.830 ( -0.221 6.049 4.643) 7.629 3.870 ( -1.158 -0.708 3.463) 3.720 3.884 ( 0.687 2.832 1.540) 3.296 3.956 ( -0.383 0.960 -2.558) 2.759 4.073 ( -4.612 0.197 0.681) 4.666 4.083 ( 3.321 2.602 -1.025) 4.342 4.139 ( 2.689 0.660 4.858) 5.592 4.241 ( -0.078 -1.312 -3.892) 4.108 4.388 ( 1.309 -5.138 2.598) 5.905 4.428 ( -2.376 -4.242 -1.544) 5.101 4.537 ( 2.469 -4.718 1.412) 5.509 4.586 ( -1.634 -4.437 -3.073) 5.639 5.050 ( -0.025 4.179 4.566) 6.190 5.119 ( -0.029 4.926 -2.953) 5.743 5.361 ( 2.161 -3.179 2.765) 4.735 5.396 ( -2.599 -2.612 -0.612) 3.735 5.437 ( 2.552 -3.524 -0.070) 4.351 5.484 ( -3.978 -7.487 -3.822) 9.300 5.627 ( 2.337 -4.605 1.380) 5.346 5.657 ( -3.472 -3.261 -0.889) 4.845 5.806 ( -0.248 -5.464 -0.720) 5.517 5.821 ( 2.641 -2.543 0.306) 3.679 5.863 ( -0.325 -6.198 -0.856) 6.266 5.991 ( -2.695 -5.483 -10.493) 12.143 6.389 ( 2.158 6.038 10.775) 12.538 6.504 ( 0.451 3.929 0.585) 3.998 6.629 ( -1.774 1.511 1.671) 2.867 6.650 ( 2.059 0.503 0.275) 2.137 6.678 ( -1.028 -2.706 0.909) 3.034 6.715 ( 1.613 -1.982 -2.947) 3.901 6.966 ( 1.506 1.969 2.468) 3.498 7.006 ( -2.072 2.180 -1.628) 3.420 7.176 ( -1.783 -1.929 2.045) 3.329 7.204 ( -0.881 -1.146 -0.373) 1.493 7.219 ( 3.134 0.175 -0.494) 3.177 7.262 ( 0.797 -1.158 -4.507) 4.721 7.543 ( -2.493 3.007 1.627) 4.232 7.569 ( 2.088 0.857 -1.014) 2.474 7.663 ( -0.602 -1.693 1.559) 2.379 7.702 ( -0.312 1.845 -0.747) 2.014 7.748 ( -0.167 -2.346 0.580) 2.423 7.792 ( 1.407 -0.353 -2.108) 2.559 7.868 ( -0.998 1.472 1.776) 2.513 7.911 ( 0.127 2.167 -2.422) 3.252 8.063 ( 0.462 0.898 1.289) 1.637 8.080 ( -1.509 1.145 0.361) 1.928 8.108 ( 0.748 0.977 -0.021) 1.231 8.131 ( 0.401 -0.229 -2.047) 2.099 8.370 ( -2.258 0.806 0.481) 2.445 8.382 ( 1.743 1.215 -0.735) 2.248 8.461 ( -0.131 -1.100 2.767) 2.980 8.509 ( 0.254 -1.966 -2.065) 2.863 8.737 ( 0.722 2.058 1.736) 2.787 8.776 ( -0.406 0.871 -2.045) 2.260 8.864 ( 0.082 0.362 2.812) 2.836 8.911 ( -0.077 -0.682 -1.916) 2.035 12.792 ( 1.425 13.007 2.214) 13.271 12.840 ( -1.150 13.834 -2.639) 14.130 13.582 ( 0.080 -12.411 3.285) 12.839 13.645 ( 0.082 -11.761 -3.132) 12.171 17.018 ( 2.842 0.868 4.051) 5.024 17.062 ( 1.531 -0.451 3.307) 3.672 17.106 ( -2.766 1.263 -3.165) 4.389 17.135 ( -2.018 0.396 -2.212) 3.020 17.198 ( -4.503 -2.714 3.700) 6.429 17.237 ( -4.333 -2.862 5.057) 7.248 17.297 ( 2.679 -1.956 -4.587) 5.661 17.357 ( 3.817 -3.010 -5.567) 7.391 17.676 ( 1.037 -0.985 7.736) 7.867 17.702 ( 1.271 0.330 8.982) 9.078 17.828 ( 0.765 -0.168 -7.533) 7.574 17.870 ( -0.893 0.714 -7.374) 7.462 17.911 ( 1.209 0.767 -0.453) 1.501 17.927 ( -0.108 1.199 -1.522) 1.941 18.080 ( 1.323 0.279 1.306) 1.880 18.101 ( -1.492 0.655 -0.822) 1.825 18.764 ( -1.753 -2.788 1.118) 3.478 18.770 ( 1.134 -2.274 0.473) 2.584 18.865 ( -0.120 -0.221 -0.897) 0.931 18.867 ( 0.667 -0.613 -1.252) 1.545 19.341 ( 2.438 -2.171 6.100) 6.919 19.436 ( -1.922 -4.812 7.696) 9.278 19.463 ( -2.684 0.727 -6.424) 7.000 19.578 ( 1.494 -2.667 -6.884) 7.532 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.191 10.773 -3.359) 11.286 1.495 ( 7.600 -2.501 0.666) 8.029 1.646 ( -9.112 8.105 -4.720) 13.077 1.839 ( -3.576 -1.869 3.316) 5.223 1.984 ( -10.362 3.402 1.380) 10.993 2.076 ( 1.096 -5.408 -3.169) 6.363 2.126 ( 2.868 -0.945 2.619) 3.997 2.271 ( 7.006 -1.227 3.358) 7.866 2.380 ( 2.624 5.809 0.566) 6.399 2.455 ( 6.322 2.029 1.694) 6.852 2.505 ( 7.242 3.460 2.038) 8.281 2.612 ( 3.253 -7.371 -5.904) 9.989 2.679 ( -5.993 10.533 8.924) 15.050 2.742 ( 3.120 0.113 -0.222) 3.130 2.805 ( 0.881 3.140 4.939) 5.919 2.841 ( -2.633 0.498 -3.983) 4.801 2.926 ( 3.581 4.742 2.116) 6.307 2.941 ( 0.508 -2.649 -0.298) 2.714 3.193 ( -1.893 10.528 -1.304) 10.777 3.266 ( -5.613 -2.684 -3.851) 7.317 3.317 ( 4.061 2.895 -6.577) 8.254 3.500 ( 1.639 0.092 1.329) 2.112 3.599 ( -3.163 -1.538 0.433) 3.544 3.744 ( -2.520 -2.215 -0.995) 3.500 3.820 ( -1.093 4.821 -1.490) 5.163 3.861 ( -1.842 5.740 6.310) 8.727 3.918 ( -1.656 4.072 -4.712) 6.444 3.981 ( 0.986 -2.703 1.412) 3.205 3.998 ( 1.628 -1.061 1.796) 2.646 4.113 ( -0.606 1.104 -1.434) 1.909 4.183 ( 1.374 -3.978 -1.955) 4.640 4.253 ( 2.954 2.027 -0.059) 3.583 4.336 ( -3.964 -4.960 -0.306) 6.357 4.390 ( -3.382 -3.152 0.044) 4.623 4.588 ( 3.886 -4.361 -1.458) 6.020 4.628 ( 4.204 -5.045 1.728) 6.790 5.065 ( -2.174 5.083 -2.720) 6.161 5.072 ( -1.870 4.074 2.603) 5.183 5.296 ( -4.725 -3.088 -0.049) 5.645 5.403 ( -1.755 -5.336 -1.552) 5.828 5.432 ( 0.421 -3.413 -0.977) 3.575 5.518 ( 4.862 -6.498 7.359) 10.955 5.618 ( 0.304 -4.846 -1.167) 4.994 5.704 ( -3.568 0.152 1.173) 3.759 5.722 ( 2.598 -4.815 0.730) 5.520 5.858 ( -0.872 -5.343 -4.947) 7.334 5.912 ( 3.216 -7.998 0.751) 8.653 5.949 ( 2.755 -3.955 7.103) 8.584 6.451 ( -0.820 4.984 -8.738) 10.093 6.494 ( 0.491 3.672 2.371) 4.398 6.581 ( -3.419 1.661 0.926) 3.912 6.674 ( 1.075 0.901 -1.353) 1.949 6.705 ( 1.826 -0.800 1.005) 2.232 6.751 ( 4.383 -2.244 -1.786) 5.238 6.944 ( -2.088 2.302 -1.819) 3.601 6.994 ( -1.884 2.806 2.916) 4.464 7.140 ( -3.409 -1.425 -1.103) 3.855 7.168 ( -0.821 -0.863 1.487) 1.906 7.247 ( 1.989 -1.570 -1.371) 2.881 7.291 ( 2.752 -0.488 -1.603) 3.222 7.506 ( -3.165 3.538 2.031) 5.163 7.587 ( 1.214 -0.508 -1.007) 1.657 7.654 ( -2.319 -2.035 1.710) 3.528 7.686 ( -0.221 0.769 -1.472) 1.676 7.716 ( -3.370 -2.076 1.729) 4.319 7.795 ( 1.110 1.641 -2.072) 2.867 7.883 ( -0.647 2.773 1.133) 3.065 7.904 ( 1.289 -0.703 0.722) 1.637 8.023 ( -2.589 1.623 -0.532) 3.102 8.084 ( 0.349 -0.172 0.760) 0.854 8.111 ( 1.013 0.459 -0.928) 1.448 8.178 ( 3.163 0.493 0.116) 3.203 8.334 ( -1.760 1.154 0.468) 2.156 8.418 ( 1.587 0.001 0.797) 1.776 8.479 ( 0.213 -1.050 -0.311) 1.115 8.493 ( 0.033 -0.591 -0.341) 0.683 8.731 ( -0.874 1.703 -1.111) 2.213 8.784 ( 1.234 0.852 0.344) 1.539 8.863 ( -1.515 0.242 -0.230) 1.551 8.906 ( 0.526 -0.144 0.265) 0.607 12.787 ( -0.791 13.777 -1.297) 13.861 12.866 ( 3.272 12.018 0.656) 12.473 13.556 ( -3.028 -10.497 0.190) 10.927 13.650 ( 0.824 -13.166 -0.445) 13.199 17.013 ( -0.251 2.369 -2.693) 3.596 17.054 ( -0.659 1.504 -2.473) 2.969 17.165 ( 3.240 0.667 4.156) 5.312 17.187 ( -2.891 -1.869 6.561) 7.409 17.210 ( 5.744 -0.217 1.415) 5.919 17.225 ( 0.675 -3.065 5.632) 6.448 17.325 ( 3.999 -1.853 -1.681) 4.717 17.368 ( 3.417 -3.202 -5.267) 7.048 17.683 ( -6.283 3.367 -4.295) 8.322 17.737 ( -1.333 -1.405 -0.562) 2.016 17.764 ( -0.716 -0.006 -3.209) 3.288 17.797 ( -0.830 -2.899 3.030) 4.275 17.927 ( 1.805 0.117 -2.459) 3.053 17.963 ( 3.338 2.193 0.815) 4.076 18.064 ( -1.194 -0.121 -0.672) 1.375 18.115 ( 0.791 0.512 0.781) 1.224 18.741 ( -0.929 -1.408 0.565) 1.779 18.799 ( -0.207 -0.431 0.131) 0.496 18.844 ( 1.069 -2.097 0.609) 2.431 18.903 ( 2.489 -1.821 -1.183) 3.303 19.344 ( -2.728 0.956 -4.803) 5.606 19.436 ( -0.064 -2.593 4.883) 5.529 19.472 ( -2.519 -4.263 7.080) 8.639 19.533 ( 1.430 -4.069 -5.686) 7.137 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 4.602 16.922 5.702) 18.441 1.428 ( 0.263 16.502 -4.584) 17.129 1.667 ( -4.484 7.442 -1.544) 8.825 1.797 ( 6.801 -0.193 -0.398) 6.815 1.938 ( -0.568 -5.311 7.366) 9.099 2.115 ( 1.779 -1.773 2.702) 3.689 2.213 ( 1.563 -1.686 3.208) 3.947 2.322 ( -3.612 6.128 -1.487) 7.267 2.419 ( -1.248 3.698 0.008) 3.903 2.434 ( -2.018 4.341 -1.211) 4.938 2.566 ( -0.286 -9.585 -2.285) 9.857 2.622 ( 0.728 2.489 -2.490) 3.595 2.720 ( -2.679 -2.878 -0.379) 3.950 2.744 ( 0.738 0.946 3.098) 3.322 2.842 ( 6.412 6.686 -3.402) 9.869 2.877 ( 3.584 -6.028 -2.267) 7.370 2.936 ( -0.710 4.940 3.766) 6.252 3.043 ( 2.453 4.172 2.689) 5.536 3.107 ( -1.758 4.389 -4.112) 6.266 3.195 ( 1.882 6.110 0.270) 6.399 3.280 ( -2.689 3.947 -4.582) 6.618 3.456 ( -3.651 2.378 0.026) 4.358 3.646 ( 3.039 -4.079 2.363) 5.608 3.687 ( -4.067 1.702 -0.799) 4.481 3.748 ( -0.072 2.245 -0.535) 2.308 3.862 ( 0.292 3.505 0.565) 3.562 3.911 ( -0.974 -1.098 -0.376) 1.515 3.999 ( -0.015 1.090 3.251) 3.429 4.051 ( -1.820 -6.108 1.213) 6.488 4.093 ( 4.812 -1.168 -2.982) 5.780 4.183 ( 0.184 -3.290 -3.602) 4.882 4.258 ( -1.724 -4.805 -1.184) 5.240 4.290 ( -1.077 0.542 0.763) 1.427 4.336 ( -0.918 -0.613 -1.241) 1.661 4.647 ( 2.799 -5.023 -0.430) 5.766 4.698 ( 1.761 -4.677 0.048) 4.998 5.008 ( -0.623 3.372 -1.889) 3.915 5.039 ( -3.368 4.083 1.184) 5.423 5.245 ( -1.356 -4.218 2.010) 4.865 5.390 ( -0.159 -4.741 -1.313) 4.922 5.427 ( 1.665 -4.359 1.230) 4.825 5.596 ( -2.018 -7.164 1.024) 7.513 5.629 ( -2.077 -0.169 1.518) 2.578 5.722 ( 4.843 -4.030 3.277) 7.102 5.813 ( 4.730 -3.225 2.350) 6.188 5.853 ( 1.110 -4.272 6.048) 7.487 5.997 ( 3.415 -6.750 2.135) 7.861 6.062 ( 1.040 -4.170 8.881) 9.867 6.339 ( -0.711 5.138 -9.753) 11.047 6.429 ( -4.755 1.844 -6.007) 7.880 6.508 ( -3.243 -1.732 -2.950) 4.714 6.649 ( -0.378 -1.408 -6.115) 6.286 6.760 ( 2.187 0.534 1.495) 2.702 6.819 ( 3.358 -0.856 -0.893) 3.578 6.919 ( 1.640 3.996 -1.213) 4.487 6.962 ( -4.164 3.139 3.285) 6.163 7.086 ( -0.961 -0.609 -0.529) 1.255 7.178 ( -0.490 -1.002 0.534) 1.237 7.258 ( -0.042 -1.192 -0.318) 1.234 7.306 ( 1.548 -1.574 -2.134) 3.070 7.482 ( -2.023 3.282 3.354) 5.110 7.604 ( -2.899 0.340 -0.151) 2.923 7.615 ( 1.978 -1.496 0.487) 2.528 7.670 ( -0.791 -0.776 -0.116) 1.114 7.697 ( -0.950 -0.361 2.924) 3.096 7.792 ( 0.670 2.832 -1.808) 3.426 7.863 ( -1.815 1.521 1.033) 2.584 7.954 ( 0.909 0.403 2.328) 2.531 7.981 ( -0.166 -0.148 -1.985) 1.997 8.096 ( -0.694 0.519 -0.319) 0.923 8.124 ( 2.121 -1.315 -0.313) 2.515 8.216 ( -0.142 -0.343 0.447) 0.580 8.322 ( 0.377 2.007 0.464) 2.095 8.422 ( -1.516 -0.073 -0.490) 1.594 8.491 ( 2.416 0.362 -1.236) 2.738 8.501 ( -0.422 -0.630 1.536) 1.713 8.714 ( 0.250 2.079 -1.034) 2.336 8.778 ( -1.374 0.099 -1.511) 2.045 8.853 ( 0.620 0.663 0.772) 1.192 8.912 ( -0.342 -0.619 0.172) 0.728 12.785 ( 1.098 13.265 0.509) 13.320 12.913 ( 1.722 10.676 -1.768) 10.957 13.522 ( -0.932 -9.723 1.135) 9.834 13.632 ( -1.719 -11.648 -1.126) 11.828 17.021 ( 2.975 3.181 -1.246) 4.530 17.055 ( 2.903 2.857 -1.574) 4.366 17.159 ( -4.086 -0.849 2.917) 5.091 17.193 ( -2.730 -0.405 5.898) 6.512 17.296 ( 2.738 -2.017 -2.362) 4.140 17.310 ( 0.932 -1.373 -1.683) 2.364 17.414 ( 1.541 -0.317 0.673) 1.711 17.464 ( 7.975 -2.735 5.066) 9.836 17.500 ( -4.292 6.134 -5.982) 9.583 17.683 ( 4.998 -0.439 -8.663) 10.011 17.749 ( -3.522 -2.781 3.831) 5.901 17.794 ( -3.396 -4.317 3.438) 6.480 17.941 ( 2.174 -0.277 -2.120) 3.049 18.025 ( 1.490 1.660 0.737) 2.349 18.041 ( -0.390 -1.082 -0.851) 1.431 18.114 ( -0.798 0.110 -0.774) 1.117 18.743 ( 0.485 0.137 0.526) 0.728 18.783 ( -0.885 1.358 0.074) 1.623 18.887 ( 0.859 -4.078 1.929) 4.592 18.933 ( 2.538 -3.441 -2.169) 4.795 19.284 ( 0.866 1.439 -2.605) 3.099 19.419 ( -5.091 -2.444 2.728) 6.272 19.480 ( -1.227 -3.776 2.941) 4.940 19.539 ( 1.058 -5.345 -0.518) 5.473 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -8.629 13.081 4.765) 16.379 1.772 ( 6.475 11.638 6.083) 14.642 1.853 ( 4.408 4.025 -2.783) 6.586 1.915 ( -0.830 5.336 -4.962) 7.334 2.032 ( -0.540 -1.006 7.634) 7.719 2.080 ( 3.159 -5.254 5.714) 8.380 2.124 ( 0.576 -1.548 1.372) 2.148 2.213 ( -1.444 -11.877 -7.761) 14.261 2.325 ( 2.113 2.599 1.152) 3.542 2.401 ( -1.895 0.960 -2.408) 3.211 2.459 ( -6.627 -2.946 -4.669) 8.626 2.482 ( 2.574 -6.599 -6.405) 9.550 2.714 ( -2.335 1.385 -0.180) 2.721 2.734 ( 0.392 -2.626 -2.220) 3.460 2.891 ( 4.012 4.094 1.878) 6.032 2.897 ( -0.221 -0.143 -0.363) 0.448 3.092 ( -1.830 3.898 4.118) 5.958 3.140 ( 1.552 2.521 0.278) 2.973 3.203 ( -0.193 2.079 0.770) 2.225 3.242 ( -1.718 0.509 -2.099) 2.760 3.433 ( 3.021 9.223 1.668) 9.848 3.471 ( -1.927 6.831 -2.549) 7.541 3.648 ( -2.485 -2.180 4.442) 5.538 3.696 ( -1.142 -5.861 0.274) 5.978 3.748 ( 3.676 1.871 4.776) 6.310 3.838 ( -1.764 -3.892 -2.808) 5.114 3.919 ( -1.011 0.111 0.647) 1.205 3.929 ( 1.079 -0.589 -0.183) 1.243 4.011 ( 0.233 0.331 1.329) 1.390 4.066 ( -1.108 -1.415 -0.946) 2.031 4.081 ( -1.805 -4.140 -2.134) 4.995 4.094 ( 1.390 -3.745 -2.915) 4.945 4.378 ( -0.968 7.480 1.246) 7.645 4.415 ( 1.542 6.697 -2.078) 7.180 4.546 ( 1.056 -8.183 0.294) 8.256 4.565 ( -0.568 -7.610 -1.400) 7.758 5.070 ( 0.700 4.636 1.128) 4.822 5.100 ( -1.180 5.813 -2.003) 6.261 5.182 ( 1.736 -4.516 2.425) 5.412 5.232 ( -2.228 -5.264 -2.985) 6.448 5.405 ( 1.950 -3.757 1.588) 4.521 5.423 ( -0.821 -5.382 -0.032) 5.444 5.660 ( -0.938 1.384 2.091) 2.677 5.694 ( 0.697 -1.832 -1.444) 2.434 5.943 ( 1.913 2.863 7.495) 8.249 5.964 ( 4.032 2.326 5.036) 6.857 6.025 ( 3.995 -3.476 8.494) 10.009 6.073 ( 0.174 -5.246 6.500) 8.355 6.272 ( -4.950 2.421 -4.772) 7.289 6.316 ( -3.018 0.678 -6.619) 7.306 6.372 ( -0.706 1.020 -7.069) 7.177 6.459 ( -1.233 -4.905 -10.894) 12.011 6.823 ( -0.500 0.865 0.956) 1.383 6.835 ( -0.573 -0.239 0.053) 0.623 6.983 ( -1.833 3.219 1.747) 4.095 7.019 ( 2.688 0.055 -1.673) 3.167 7.106 ( 1.423 0.662 1.195) 1.972 7.121 ( -0.730 -0.746 -0.165) 1.056 7.237 ( -0.153 -0.163 -0.396) 0.454 7.262 ( 0.993 -2.298 -2.583) 3.597 7.554 ( -0.350 1.896 3.536) 4.027 7.573 ( -0.625 -0.124 1.838) 1.945 7.635 ( 1.406 -0.415 -0.245) 1.487 7.641 ( 0.579 -0.833 -0.771) 1.275 7.789 ( 1.693 3.245 1.364) 3.906 7.820 ( -0.883 1.213 -1.282) 1.973 7.866 ( -0.781 0.059 2.637) 2.750 7.908 ( -0.743 -3.014 -0.936) 3.242 8.037 ( 0.759 3.841 2.142) 4.463 8.092 ( -0.382 1.781 -2.403) 3.015 8.121 ( 1.976 -3.159 0.577) 3.771 8.148 ( -1.630 -2.553 -1.587) 3.420 8.394 ( -0.110 1.981 1.772) 2.660 8.413 ( -0.353 0.581 0.162) 0.698 8.495 ( -0.810 0.397 0.739) 1.166 8.512 ( 0.636 -0.952 -0.883) 1.446 8.748 ( 0.309 0.972 -0.366) 1.084 8.752 ( -0.105 0.510 -0.732) 0.898 8.872 ( 0.004 -0.046 0.051) 0.069 8.881 ( -0.181 -0.862 -0.859) 1.230 13.085 ( 1.609 11.986 0.391) 12.100 13.097 ( -1.198 9.959 -0.896) 10.071 13.339 ( -0.816 -9.841 1.530) 9.992 13.362 ( 0.702 -11.422 -0.893) 11.478 17.111 ( -2.849 1.418 2.195) 3.866 17.126 ( 0.006 0.175 1.121) 1.135 17.162 ( 1.294 1.758 0.281) 2.201 17.189 ( -3.295 0.404 -2.181) 3.972 17.271 ( 4.282 0.945 3.434) 5.570 17.310 ( 0.512 -1.424 1.596) 2.199 17.370 ( -2.203 -0.332 -3.739) 4.352 17.389 ( -0.173 -1.649 -4.058) 4.384 17.636 ( -6.351 0.197 4.854) 7.996 17.655 ( -7.615 -1.561 4.503) 8.983 17.727 ( 8.033 0.461 -4.252) 9.100 17.744 ( 8.752 -1.028 -5.047) 10.156 17.987 ( 2.576 1.545 0.006) 3.004 18.005 ( -1.803 0.780 -1.413) 2.420 18.041 ( 0.709 -0.899 0.189) 1.160 18.058 ( -1.976 -1.630 -1.380) 2.910 18.781 ( -1.043 1.362 1.282) 2.141 18.801 ( 0.536 1.526 -0.510) 1.696 18.826 ( -1.428 -2.254 1.452) 3.038 18.864 ( 1.722 -3.758 -2.069) 4.623 19.321 ( -6.377 1.255 3.908) 7.584 19.360 ( -0.433 -1.139 1.708) 2.098 19.416 ( 1.352 0.265 0.840) 1.614 19.472 ( 5.234 -3.799 -3.045) 7.148 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -11.597 14.109 6.638) 19.432 1.731 ( -5.641 4.799 -5.864) 9.446 1.887 ( -0.232 4.534 -5.283) 6.966 1.904 ( -7.407 4.722 -3.670) 9.520 1.960 ( 0.571 -1.704 4.642) 4.978 2.057 ( -3.960 -2.448 3.194) 5.646 2.090 ( -4.440 -6.503 -2.481) 8.256 2.239 ( 4.924 -8.117 -3.032) 9.966 2.359 ( 3.075 1.055 -0.260) 3.261 2.399 ( 1.369 -2.391 2.413) 3.663 2.458 ( 3.032 4.313 2.287) 5.747 2.593 ( 1.622 0.804 5.139) 5.449 2.609 ( -0.994 -7.869 -2.954) 8.463 2.647 ( -2.280 -3.585 1.694) 4.575 2.924 ( 2.160 4.843 -3.500) 6.354 3.001 ( 3.700 3.336 -1.293) 5.147 3.057 ( -4.939 4.620 1.367) 6.900 3.120 ( -0.503 3.519 0.093) 3.556 3.213 ( -1.110 1.707 0.252) 2.052 3.264 ( 2.913 -0.962 1.547) 3.435 3.429 ( 0.239 10.553 -2.456) 10.838 3.524 ( 4.559 4.560 0.876) 6.508 3.651 ( -1.637 -3.744 3.677) 5.496 3.678 ( -0.800 -6.037 1.497) 6.272 3.746 ( -1.988 2.710 -5.090) 6.100 3.835 ( 1.236 -0.801 2.362) 2.784 3.940 ( 0.968 2.977 2.411) 3.951 3.965 ( 1.123 -1.342 -0.712) 1.889 3.979 ( -0.988 -3.022 -1.626) 3.571 4.061 ( 0.125 -3.783 2.517) 4.546 4.073 ( 1.392 -0.753 2.171) 2.687 4.107 ( 0.935 -4.007 -0.246) 4.122 4.362 ( -1.620 6.015 0.505) 6.250 4.420 ( 0.915 6.972 -1.984) 7.307 4.518 ( -2.122 -8.066 -1.317) 8.444 4.566 ( -0.204 -7.067 -0.040) 7.070 5.047 ( -0.563 5.921 0.632) 5.981 5.146 ( 3.297 2.743 0.362) 4.304 5.186 ( 0.778 -3.424 -1.092) 3.677 5.257 ( 2.987 -4.239 2.297) 5.672 5.384 ( -1.755 -2.562 -1.968) 3.677 5.431 ( -0.329 -7.057 -0.193) 7.067 5.657 ( -1.337 0.590 1.697) 2.239 5.684 ( -0.770 -2.046 -0.819) 2.335 5.884 ( -5.534 4.447 -5.356) 8.893 5.974 ( -4.377 -3.273 -8.190) 9.846 6.072 ( 0.386 1.692 -6.619) 6.843 6.127 ( 1.127 -2.034 -2.339) 3.298 6.261 ( 0.985 3.575 7.666) 8.516 6.341 ( 4.499 -0.893 6.176) 7.693 6.364 ( 1.994 -2.934 4.063) 5.394 6.398 ( 1.359 -3.316 3.801) 5.224 6.783 ( -3.685 1.144 0.720) 3.925 6.806 ( -2.876 -1.037 0.786) 3.157 6.975 ( -0.254 3.862 0.340) 3.886 7.039 ( 1.189 -2.083 -1.152) 2.661 7.129 ( 2.281 1.880 -1.874) 3.500 7.153 ( 1.458 -0.342 1.013) 1.808 7.230 ( -0.005 -0.113 -0.405) 0.420 7.255 ( 0.852 -2.296 -1.980) 3.149 7.575 ( -0.003 1.762 -0.162) 1.769 7.598 ( 1.143 0.037 1.625) 1.987 7.629 ( -0.019 0.487 -1.799) 1.864 7.652 ( 1.603 -1.555 -1.258) 2.563 7.760 ( -1.722 1.208 -1.426) 2.542 7.791 ( -2.306 -1.200 0.467) 2.641 7.905 ( 2.998 3.373 0.862) 4.595 7.958 ( 3.683 -0.661 0.972) 3.866 8.038 ( -0.945 3.146 -1.879) 3.784 8.089 ( -1.085 -1.489 -0.279) 1.863 8.102 ( 0.821 0.803 -0.519) 1.260 8.166 ( 1.163 -3.487 1.161) 3.855 8.391 ( -0.858 1.991 0.015) 2.168 8.412 ( -0.273 0.296 0.804) 0.899 8.475 ( -2.062 0.834 0.932) 2.412 8.504 ( -0.661 -1.564 -0.635) 1.813 8.746 ( 0.392 1.667 -0.280) 1.736 8.764 ( 1.160 0.066 -0.048) 1.163 8.864 ( -0.578 0.372 0.187) 0.712 8.884 ( 0.447 -1.469 0.207) 1.549 13.038 ( -2.415 11.541 -0.244) 11.793 13.138 ( 2.144 10.353 -0.513) 10.585 13.304 ( -2.012 -9.607 0.793) 9.847 13.410 ( 2.970 -11.362 -0.616) 11.760 17.056 ( -4.441 2.163 1.298) 5.107 17.076 ( -5.289 0.553 0.552) 5.346 17.143 ( -1.902 -0.012 3.312) 3.819 17.170 ( -2.344 -2.044 3.839) 4.940 17.288 ( 0.268 0.778 -2.649) 2.773 17.304 ( 0.698 -1.079 -5.309) 5.463 17.397 ( 3.823 1.869 2.544) 4.958 17.446 ( 3.173 -2.916 -0.232) 4.316 17.510 ( -8.368 0.821 2.589) 8.798 17.528 ( -8.251 -1.072 4.355) 9.391 17.816 ( 5.775 0.526 -5.217) 7.800 17.833 ( 5.952 -1.107 -5.279) 8.033 17.948 ( -1.729 1.707 -0.943) 2.606 17.992 ( -1.751 -2.291 -0.356) 2.905 18.062 ( 2.409 1.644 0.903) 3.052 18.091 ( 2.225 -0.992 1.062) 2.658 18.755 ( -2.064 0.780 0.787) 2.342 18.787 ( -2.811 -2.151 1.637) 3.900 18.831 ( 1.381 1.284 -0.623) 1.986 18.878 ( 1.228 -3.059 -1.489) 3.617 19.251 ( -4.491 2.241 4.048) 6.449 19.323 ( -4.602 -4.636 4.433) 7.894 19.501 ( 6.733 1.711 -3.520) 7.788 19.543 ( 5.580 -2.443 -4.685) 7.685 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -9.919 11.573 4.186) 15.807 1.593 ( -6.007 -0.322 -3.781) 7.105 1.733 ( -2.841 -1.452 -6.699) 7.420 1.814 ( -9.551 -10.916 0.680) 14.520 1.906 ( 4.328 8.690 3.845) 10.442 2.068 ( -0.358 -4.749 4.676) 6.674 2.143 ( 4.113 5.904 -1.848) 7.429 2.246 ( 0.446 0.382 -1.663) 1.764 2.338 ( -2.457 -1.040 0.338) 2.690 2.476 ( 1.147 -6.416 -2.542) 6.996 2.495 ( 2.228 0.806 0.336) 2.393 2.537 ( 1.648 -2.162 3.284) 4.263 2.705 ( -0.158 -1.613 4.161) 4.466 2.707 ( 0.454 -2.881 -1.446) 3.255 2.876 ( -5.295 8.109 -1.000) 9.736 2.943 ( -1.604 5.056 -3.936) 6.605 2.995 ( -2.188 0.666 -1.414) 2.689 3.091 ( -4.185 -3.105 -2.272) 5.685 3.227 ( 2.238 5.428 1.703) 6.113 3.297 ( 0.914 -1.201 -1.014) 1.819 3.434 ( 1.668 11.384 -0.778) 11.532 3.570 ( 0.032 -1.018 -5.099) 5.199 3.637 ( 2.464 3.418 -0.201) 4.218 3.699 ( -0.362 -4.452 5.384) 6.996 3.773 ( 2.691 -0.616 4.430) 5.220 3.856 ( 0.109 -2.436 0.240) 2.450 3.935 ( 0.116 3.410 1.471) 3.715 3.988 ( 0.547 -1.109 2.928) 3.178 4.037 ( 2.723 1.855 1.543) 3.638 4.092 ( 1.360 0.618 -0.626) 1.619 4.116 ( 1.496 -0.533 0.855) 1.803 4.153 ( 1.853 -4.940 5.530) 7.643 4.336 ( -0.949 3.229 -0.388) 3.388 4.405 ( -0.236 4.283 -2.686) 5.061 4.457 ( -2.752 -6.158 -0.659) 6.778 4.538 ( -1.795 -6.574 -1.398) 6.957 5.082 ( 1.781 5.453 2.894) 6.425 5.199 ( 2.981 -3.628 0.397) 4.713 5.229 ( 2.010 3.834 -0.645) 4.377 5.334 ( 3.012 -2.231 1.400) 4.001 5.345 ( 0.403 -2.879 -1.399) 3.226 5.397 ( -1.615 -8.146 -1.563) 8.450 5.625 ( -3.519 0.587 -1.215) 3.768 5.651 ( -2.164 -1.895 1.261) 3.141 5.749 ( -2.061 1.445 -3.090) 3.986 5.806 ( -3.483 -3.813 -7.728) 9.295 5.952 ( -2.336 3.369 -9.958) 10.769 6.043 ( -1.554 -4.930 -11.190) 12.327 6.372 ( 0.979 6.050 11.206) 12.772 6.487 ( 2.113 -4.639 9.283) 10.591 6.492 ( 2.944 1.461 6.384) 7.180 6.531 ( 4.934 -1.783 6.693) 8.504 6.722 ( -3.164 1.111 0.377) 3.375 6.749 ( -3.315 -1.164 -0.318) 3.528 6.980 ( 0.632 3.634 0.128) 3.691 7.046 ( 0.325 -2.306 -0.824) 2.470 7.151 ( 1.322 1.123 -0.875) 1.943 7.171 ( 0.761 -0.663 -0.052) 1.010 7.224 ( 0.243 0.499 -1.986) 2.062 7.254 ( 0.547 -2.123 -1.781) 2.824 7.568 ( 0.283 1.260 -0.861) 1.552 7.590 ( -0.117 -0.744 -1.835) 1.983 7.649 ( 0.413 1.500 2.048) 2.571 7.677 ( 2.384 -1.587 -1.674) 3.317 7.740 ( 0.668 0.825 -0.712) 1.278 7.768 ( -0.715 -1.684 0.205) 1.841 7.944 ( 0.675 4.879 -1.174) 5.064 7.996 ( -0.776 1.922 -3.043) 3.682 8.034 ( 3.658 -0.725 0.276) 3.740 8.053 ( -0.740 -2.088 0.054) 2.216 8.126 ( -0.101 1.746 0.700) 1.884 8.171 ( -1.612 -1.716 0.395) 2.387 8.383 ( 0.625 1.557 -0.654) 1.800 8.413 ( -0.520 -1.238 0.335) 1.384 8.447 ( -1.824 1.571 1.637) 2.911 8.481 ( -1.045 -1.814 -0.199) 2.102 8.757 ( 0.854 1.980 -0.036) 2.157 8.785 ( 0.853 -0.700 -0.164) 1.115 8.861 ( -0.241 1.230 0.973) 1.587 8.892 ( 0.129 -1.720 0.189) 1.735 13.017 ( -0.401 12.304 1.500) 12.401 13.148 ( 0.306 10.334 -2.062) 10.542 13.296 ( -0.247 -9.594 1.985) 9.801 13.434 ( 0.893 -12.071 -2.332) 12.327 17.004 ( -2.482 1.554 2.975) 4.175 17.018 ( -2.227 0.050 2.763) 3.549 17.139 ( -2.641 -0.513 4.504) 5.247 17.164 ( -3.365 -2.518 5.424) 6.861 17.263 ( -0.331 0.136 -4.959) 4.972 17.279 ( 1.053 -1.134 -5.174) 5.401 17.302 ( -6.760 0.553 -3.614) 7.686 17.330 ( -4.224 -1.855 -3.460) 5.767 17.571 ( 2.349 1.383 8.239) 8.678 17.590 ( 2.281 -0.420 7.628) 7.973 17.849 ( 3.989 0.686 -6.107) 7.326 17.868 ( 3.939 -1.151 -5.839) 7.136 17.927 ( -0.250 1.789 0.240) 1.822 17.969 ( -0.830 -2.023 0.549) 2.255 18.091 ( 0.368 2.336 -0.303) 2.385 18.124 ( 0.355 -0.755 -0.036) 0.835 18.729 ( -1.273 -0.057 0.635) 1.424 18.750 ( -2.541 -2.040 1.343) 3.525 18.847 ( 1.147 0.945 -0.899) 1.737 18.875 ( 0.034 -1.794 -1.244) 2.183 19.250 ( -1.179 1.542 6.296) 6.588 19.310 ( -2.526 -4.165 6.697) 8.281 19.550 ( 3.028 0.537 -6.741) 7.409 19.566 ( 3.428 -1.183 -7.267) 8.122 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.142 5.769 5.306) 7.921 1.476 ( -0.708 1.321 -4.134) 4.397 1.633 ( -5.309 -4.422 2.110) 7.225 1.745 ( 5.596 -8.550 -6.651) 12.192 2.047 ( 2.838 1.410 3.528) 4.742 2.087 ( -3.075 -2.971 0.389) 4.293 2.192 ( 3.486 4.736 5.789) 8.252 2.245 ( -0.273 0.941 0.061) 0.981 2.385 ( 2.068 6.048 2.396) 6.826 2.449 ( -0.544 1.063 1.207) 1.698 2.490 ( -1.666 4.120 -6.211) 7.637 2.568 ( 2.297 -1.118 -6.814) 7.277 2.657 ( -3.675 -3.355 1.471) 5.189 2.687 ( 0.873 -4.006 -0.853) 4.188 2.808 ( 1.029 0.115 4.458) 4.576 2.895 ( -2.462 -3.722 -3.169) 5.474 2.957 ( 0.030 4.957 0.821) 5.025 2.991 ( -3.233 1.175 -1.045) 3.595 3.272 ( 0.987 0.778 0.493) 1.349 3.292 ( -0.318 -0.539 -2.006) 2.101 3.465 ( 0.757 6.648 -0.072) 6.691 3.508 ( 0.641 5.144 -4.481) 6.852 3.700 ( -1.793 0.402 2.959) 3.483 3.738 ( 4.189 -1.420 -0.873) 4.509 3.853 ( -1.063 0.382 4.686) 4.820 3.871 ( 0.359 -1.015 2.868) 3.063 3.953 ( -0.268 2.519 1.077) 2.753 3.977 ( -2.113 0.353 -0.687) 2.250 4.081 ( -0.324 0.997 2.101) 2.348 4.101 ( -0.724 0.048 0.671) 0.988 4.182 ( -0.439 2.166 5.282) 5.726 4.241 ( 2.209 -2.351 2.562) 4.119 4.315 ( -1.114 1.367 -2.430) 3.002 4.351 ( 1.255 -2.507 -2.680) 3.879 4.449 ( 1.984 -2.723 -0.103) 3.371 4.485 ( -0.693 -4.910 -3.273) 5.942 5.141 ( 0.351 5.143 3.930) 6.482 5.210 ( -0.482 4.374 -3.148) 5.411 5.260 ( 0.763 -6.206 2.310) 6.666 5.313 ( -1.451 -5.787 -2.889) 6.629 5.380 ( -0.275 -0.599 0.912) 1.125 5.396 ( 1.195 -1.974 -0.553) 2.373 5.578 ( 0.824 0.005 -0.059) 0.826 5.605 ( -1.820 -2.101 -1.912) 3.373 5.731 ( -0.728 -1.374 0.995) 1.846 5.751 ( 0.693 -3.136 3.798) 4.974 5.829 ( -0.213 1.581 -7.521) 7.688 5.893 ( -2.601 -4.288 -9.891) 11.090 6.500 ( 1.559 4.673 8.666) 9.968 6.561 ( 0.371 -0.007 2.868) 2.891 6.609 ( 1.658 -0.184 4.359) 4.667 6.639 ( 0.650 -1.495 1.741) 2.385 6.680 ( -0.773 1.096 0.069) 1.343 6.697 ( 0.559 -0.468 -2.114) 2.236 7.004 ( 1.110 1.834 1.202) 2.458 7.028 ( -1.069 -0.103 -1.104) 1.540 7.152 ( -1.878 -0.008 1.912) 2.680 7.175 ( -1.801 -1.743 0.423) 2.542 7.221 ( 2.490 0.308 -2.824) 3.778 7.237 ( 1.944 -1.186 -3.747) 4.384 7.573 ( 0.427 0.502 -0.185) 0.684 7.580 ( 0.012 -0.027 -0.893) 0.894 7.652 ( -2.548 0.976 2.609) 3.776 7.689 ( -0.619 -2.371 -0.292) 2.468 7.749 ( 0.334 1.497 -0.354) 1.575 7.773 ( 2.283 -1.056 -1.828) 3.110 7.924 ( -1.026 3.009 0.037) 3.179 7.949 ( -0.964 0.871 -2.462) 2.783 8.068 ( 0.629 0.324 1.232) 1.421 8.091 ( 0.584 -1.352 -1.025) 1.794 8.118 ( 0.945 1.111 0.816) 1.671 8.132 ( -1.524 -0.049 -0.575) 1.630 8.387 ( -1.480 0.844 0.785) 1.876 8.397 ( 0.037 0.078 -0.222) 0.238 8.451 ( 0.146 0.322 1.462) 1.504 8.472 ( 0.698 -1.577 -0.686) 1.856 8.773 ( 0.346 1.297 0.313) 1.379 8.785 ( 0.110 0.006 -0.981) 0.988 8.873 ( 0.027 0.640 1.379) 1.520 8.892 ( 0.142 -1.084 -0.515) 1.208 13.050 ( 1.328 12.439 2.892) 12.840 13.111 ( -1.045 12.330 -3.417) 12.837 13.331 ( 0.638 -11.595 3.519) 12.134 13.400 ( -0.886 -12.394 -3.620) 12.942 17.040 ( 2.271 1.136 4.738) 5.376 17.055 ( 2.106 -0.353 4.355) 4.850 17.128 ( -3.029 0.463 0.504) 3.105 17.135 ( -1.962 -0.309 -0.113) 1.990 17.164 ( -3.272 -0.227 -0.829) 3.383 17.180 ( -2.995 -2.068 1.819) 4.069 17.268 ( 2.373 -0.143 -4.757) 5.318 17.298 ( 2.656 -2.662 -5.275) 6.478 17.676 ( -0.068 0.658 7.880) 7.907 17.693 ( -0.079 -0.905 8.000) 8.051 17.838 ( 1.956 0.880 -7.769) 8.060 17.857 ( 1.621 -0.993 -7.825) 8.053 17.946 ( 1.484 1.767 1.061) 2.540 17.960 ( -0.651 0.719 -0.172) 0.985 18.091 ( 0.327 0.810 0.381) 0.953 18.105 ( -1.317 -0.335 -0.898) 1.629 18.723 ( -0.927 -0.992 1.157) 1.784 18.729 ( 0.066 -1.453 0.555) 1.557 18.858 ( 0.799 -0.221 -0.791) 1.145 18.859 ( -0.389 -0.278 -0.849) 0.974 19.320 ( 0.193 0.293 8.379) 8.386 19.355 ( -1.503 -3.075 8.936) 9.569 19.486 ( -0.660 1.598 -8.675) 8.846 19.527 ( 0.926 -2.385 -8.686) 9.055 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 5.508 3.266 3.716) 7.403 1.519 ( 8.403 5.782 -0.573) 10.216 1.614 ( 0.342 -0.322 4.688) 4.711 1.831 ( 7.056 -10.115 -1.796) 12.463 1.995 ( -4.546 5.855 -4.221) 8.530 2.102 ( 1.070 -3.020 1.634) 3.597 2.153 ( -7.832 8.911 -4.355) 12.638 2.246 ( 2.925 1.413 1.362) 3.522 2.412 ( -1.368 -7.634 -7.326) 10.669 2.414 ( -0.590 -5.212 3.127) 6.107 2.484 ( 0.910 4.609 0.647) 4.743 2.571 ( 5.613 -1.051 -1.373) 5.874 2.686 ( 1.721 0.402 1.591) 2.378 2.759 ( 3.429 -4.091 1.055) 5.442 2.857 ( 2.432 1.121 0.386) 2.705 2.897 ( -0.520 0.323 0.139) 0.628 2.973 ( 3.848 5.859 2.373) 7.401 3.002 ( 1.274 3.251 5.162) 6.232 3.243 ( -3.130 0.994 -0.686) 3.355 3.293 ( 1.434 -2.859 -1.059) 3.369 3.433 ( -1.093 7.583 -0.214) 7.664 3.501 ( -0.617 0.102 -0.154) 0.645 3.656 ( -2.918 6.877 -1.590) 7.638 3.754 ( -2.633 2.158 -0.852) 3.509 3.836 ( -1.615 -4.200 -0.808) 4.572 3.878 ( -1.790 -4.115 -0.483) 4.513 3.946 ( -2.109 1.015 2.194) 3.209 3.969 ( -0.426 -0.017 3.807) 3.831 4.045 ( -3.194 3.887 0.015) 5.031 4.086 ( -2.950 -2.235 -0.817) 3.790 4.144 ( -0.335 1.226 -0.944) 1.583 4.218 ( -3.940 -5.369 -0.595) 6.686 4.351 ( 4.493 5.760 -1.562) 7.470 4.381 ( 1.018 2.437 -0.702) 2.732 4.479 ( 3.142 -5.530 -2.573) 6.861 4.510 ( 3.421 -6.244 1.166) 7.215 5.129 ( -3.118 3.389 -1.104) 4.735 5.195 ( -0.998 5.166 0.705) 5.308 5.218 ( -3.150 -3.215 0.116) 4.503 5.327 ( 0.834 -3.028 0.139) 3.143 5.359 ( -0.840 -4.412 1.795) 4.836 5.374 ( -1.239 -3.949 -2.020) 4.605 5.590 ( 1.716 0.929 0.709) 2.076 5.636 ( 2.427 -3.466 2.332) 4.831 5.733 ( -1.233 2.111 1.428) 2.831 5.780 ( -0.396 -2.788 -4.459) 5.273 5.815 ( 3.456 -0.967 2.751) 4.522 5.861 ( 2.288 -4.205 6.138) 7.785 6.535 ( -1.691 3.334 -4.214) 5.633 6.571 ( 0.260 3.256 -1.064) 3.435 6.586 ( -3.890 -0.884 -1.605) 4.300 6.639 ( 0.945 -2.939 -2.433) 3.931 6.716 ( 3.065 1.399 0.226) 3.376 6.739 ( 3.597 -0.478 0.086) 3.629 6.995 ( -0.735 2.689 -1.324) 3.086 7.028 ( -0.466 0.176 1.237) 1.333 7.121 ( -3.204 -0.247 1.065) 3.386 7.139 ( -1.523 -1.705 2.081) 3.091 7.235 ( 2.256 0.575 -2.588) 3.481 7.264 ( 2.353 -1.850 -2.188) 3.708 7.562 ( -1.023 1.428 -0.302) 1.783 7.571 ( -0.402 -0.426 0.087) 0.592 7.619 ( -3.549 -0.184 3.326) 4.868 7.654 ( -3.141 -2.631 1.447) 4.345 7.747 ( 0.503 3.009 -1.507) 3.403 7.797 ( 1.933 -1.607 -1.878) 3.137 7.916 ( -1.355 1.688 1.132) 2.443 7.930 ( -0.688 0.943 2.839) 3.070 8.049 ( -1.806 0.931 -0.942) 2.239 8.071 ( 0.079 -1.112 -1.392) 1.784 8.134 ( 0.901 1.793 0.007) 2.007 8.170 ( 2.047 -1.372 0.608) 2.538 8.365 ( -1.252 1.782 1.054) 2.420 8.400 ( -0.427 -1.556 1.382) 2.124 8.474 ( 1.574 0.386 -0.210) 1.634 8.484 ( 1.163 -0.464 -0.992) 1.598 8.763 ( -0.662 1.429 -0.518) 1.657 8.785 ( 0.036 -0.664 -0.374) 0.763 8.875 ( -0.262 0.963 -0.126) 1.006 8.896 ( 0.475 -0.870 -0.297) 1.035 13.060 ( -0.544 12.779 -2.974) 13.131 13.105 ( 1.153 11.353 2.448) 11.671 13.334 ( -1.458 -10.840 -1.361) 11.022 13.386 ( 0.440 -12.749 1.861) 12.892 17.070 ( 1.268 2.789 -2.913) 4.227 17.089 ( 1.729 1.359 -4.370) 4.892 17.156 ( -2.447 -1.038 6.092) 6.647 17.160 ( -2.640 -1.320 4.404) 5.302 17.179 ( 5.373 -0.400 3.673) 6.520 17.198 ( 5.917 -1.221 2.688) 6.612 17.288 ( 4.145 -1.111 -1.450) 4.529 17.301 ( 3.592 -2.457 -4.436) 6.214 17.722 ( -2.813 0.324 6.749) 7.319 17.728 ( -2.637 0.213 1.091) 2.862 17.764 ( -1.708 -0.045 -5.561) 5.817 17.770 ( -0.789 -0.012 -8.429) 8.465 17.949 ( 0.707 1.781 -1.684) 2.551 17.980 ( 1.291 -0.830 -0.362) 1.577 18.083 ( -0.386 1.824 0.441) 1.916 18.113 ( 0.463 -0.856 1.057) 1.437 18.727 ( 0.549 0.337 0.898) 1.105 18.757 ( 1.837 -2.492 0.776) 3.192 18.841 ( -0.689 0.947 -0.368) 1.228 18.867 ( 0.640 -1.632 -0.543) 1.835 19.376 ( -1.536 1.881 -3.137) 3.967 19.400 ( -2.100 -0.837 4.750) 5.260 19.409 ( -1.955 -1.283 7.407) 7.768 19.453 ( 0.649 -3.684 -6.731) 7.701 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 5.515 9.386 4.972) 11.968 1.683 ( 6.070 2.366 0.885) 6.575 1.778 ( 11.872 7.326 4.917) 14.791 1.905 ( 2.077 11.764 -3.990) 12.594 1.945 ( -9.462 8.001 4.300) 13.116 1.990 ( 4.986 -8.322 2.701) 10.070 2.128 ( -3.560 -7.814 2.807) 9.034 2.256 ( 4.143 -16.429 -10.576) 19.973 2.371 ( 0.205 1.592 0.045) 1.606 2.431 ( -0.734 -2.716 -0.243) 2.824 2.520 ( -0.240 3.500 -3.595) 5.023 2.589 ( 2.330 -4.117 -0.818) 4.801 2.711 ( 0.825 1.126 -4.480) 4.693 2.754 ( -0.120 -3.916 -6.933) 7.964 2.851 ( -2.261 5.464 2.725) 6.511 2.915 ( -1.547 0.339 4.586) 4.852 3.072 ( 4.028 4.626 0.645) 6.168 3.089 ( -0.379 2.117 5.297) 5.717 3.196 ( -0.480 5.950 0.913) 6.039 3.294 ( 0.093 -2.714 -3.152) 4.160 3.408 ( -1.557 8.803 0.815) 8.976 3.531 ( -1.297 -2.835 1.552) 3.483 3.610 ( 1.981 8.587 3.208) 9.378 3.676 ( -4.269 0.806 0.986) 4.455 3.751 ( -3.776 -4.537 -1.299) 6.044 3.863 ( 0.416 -7.007 -0.941) 7.082 3.934 ( -1.485 -1.858 1.094) 2.618 3.956 ( -3.706 0.597 2.245) 4.374 4.003 ( 0.556 2.741 -2.134) 3.518 4.063 ( 1.050 1.027 -0.672) 1.616 4.128 ( -1.462 -3.721 -1.640) 4.321 4.143 ( -1.046 -3.749 -3.883) 5.498 4.377 ( 0.742 5.094 -1.125) 5.270 4.402 ( 1.414 7.767 -0.251) 7.899 4.515 ( 2.430 -7.427 -1.146) 7.898 4.568 ( 1.522 -7.762 0.037) 7.910 5.065 ( -1.423 3.514 -1.070) 3.939 5.147 ( -2.078 -2.382 0.547) 3.208 5.180 ( -2.558 5.484 -0.484) 6.071 5.306 ( -2.051 -3.956 -2.777) 5.250 5.348 ( 1.676 -2.005 1.240) 2.893 5.409 ( 1.176 -8.297 2.052) 8.627 5.654 ( -0.408 0.789 2.421) 2.579 5.674 ( 2.324 -1.234 1.039) 2.829 5.786 ( 3.945 0.558 2.706) 4.816 5.811 ( 3.688 -1.143 7.690) 8.605 5.917 ( 1.909 -0.391 6.190) 6.490 5.971 ( 1.013 -4.389 9.349) 10.377 6.427 ( -3.486 2.885 -7.485) 8.746 6.467 ( -4.426 -0.819 -6.440) 7.857 6.493 ( -2.537 3.427 -8.302) 9.333 6.586 ( -0.616 -4.422 -9.149) 10.180 6.784 ( 3.056 1.479 0.927) 3.519 6.808 ( 3.011 -0.761 0.351) 3.126 6.988 ( 1.460 2.649 -1.130) 3.229 7.010 ( -2.409 0.931 1.468) 2.971 7.092 ( -1.244 1.474 1.479) 2.431 7.140 ( -1.230 -2.617 1.676) 3.343 7.244 ( 0.738 0.113 -1.751) 1.903 7.267 ( 1.045 -1.933 -2.458) 3.297 7.544 ( -1.692 2.408 2.285) 3.726 7.576 ( -0.727 -1.317 1.492) 2.118 7.603 ( -0.644 0.084 2.732) 2.809 7.631 ( -0.592 -2.141 1.832) 2.879 7.748 ( 1.303 3.537 -0.703) 3.835 7.810 ( 1.584 -1.900 -1.397) 2.841 7.894 ( -2.790 2.582 1.684) 4.158 7.944 ( -2.295 -1.714 3.434) 4.472 8.016 ( 0.148 3.030 -1.149) 3.244 8.078 ( 1.687 -2.783 -0.406) 3.279 8.129 ( -0.598 2.476 -1.511) 2.961 8.184 ( -0.656 -2.558 -0.455) 2.680 8.371 ( 0.393 2.499 1.551) 2.967 8.411 ( -0.163 -1.249 1.347) 1.844 8.493 ( 0.677 0.288 -0.477) 0.876 8.499 ( 1.390 -0.153 -0.592) 1.519 8.750 ( -0.103 1.454 -0.591) 1.573 8.771 ( -0.790 -0.707 -0.712) 1.277 8.871 ( 0.174 1.078 -0.500) 1.200 8.894 ( -0.127 -1.090 -0.717) 1.311 13.047 ( 1.476 12.333 -1.118) 12.471 13.127 ( -0.627 9.865 0.656) 9.906 13.315 ( 0.542 -9.855 -0.292) 9.875 13.391 ( -1.690 -11.845 1.149) 12.020 17.092 ( 3.121 3.076 -1.878) 4.768 17.110 ( 3.684 1.791 -2.744) 4.931 17.146 ( -2.616 0.430 3.602) 4.473 17.187 ( -0.197 -0.705 5.527) 5.575 17.239 ( 0.975 -2.000 -2.875) 3.636 17.267 ( 2.799 -2.793 -1.938) 4.403 17.397 ( 3.090 -0.278 2.108) 3.751 17.414 ( 4.765 -1.862 2.943) 5.902 17.617 ( -0.273 4.673 -6.484) 7.997 17.676 ( 3.504 -1.084 -9.914) 10.571 17.715 ( -4.461 -0.457 5.082) 6.778 17.733 ( -4.204 -1.955 4.040) 6.149 17.955 ( 1.751 1.526 -1.577) 2.807 17.996 ( 1.381 -2.288 -0.687) 2.760 18.075 ( -1.315 2.156 -0.324) 2.546 18.108 ( -1.509 -0.959 -0.525) 1.863 18.757 ( 1.511 1.422 0.703) 2.190 18.799 ( 1.241 -1.699 0.624) 2.195 18.826 ( -0.423 0.275 -0.038) 0.506 18.867 ( 0.055 -2.829 -0.847) 2.954 19.330 ( 1.887 2.957 -3.748) 5.133 19.381 ( -3.223 -1.634 2.594) 4.448 19.420 ( -2.734 -1.546 4.096) 5.162 19.444 ( -0.662 -3.665 1.448) 3.995 =================== 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 3/29160 10.0 413.782 357.916 419.682 0.000 -45.946 0.000 3/29160 20.0 87.388 80.063 86.842 0.000 -9.872 0.000 3/29160 30.0 34.207 32.587 34.256 0.000 -3.303 0.000 3/29160 40.0 18.797 18.270 18.827 0.000 -1.645 0.000 3/29160 50.0 12.399 12.205 12.422 0.000 -1.016 0.000 3/29160 60.0 9.092 9.031 9.123 0.000 -0.708 0.000 3/29160 70.0 7.129 7.132 7.170 0.000 -0.533 0.000 3/29160 80.0 5.849 5.886 5.899 0.000 -0.422 0.000 3/29160 90.0 4.956 5.014 5.013 0.000 -0.347 0.000 3/29160 100.0 4.300 4.372 4.363 0.000 -0.293 0.000 3/29160 110.0 3.800 3.883 3.866 0.000 -0.254 0.000 3/29160 120.0 3.407 3.497 3.475 0.000 -0.223 0.000 3/29160 130.0 3.089 3.185 3.158 0.000 -0.199 0.000 3/29160 140.0 2.828 2.928 2.897 0.000 -0.180 0.000 3/29160 150.0 2.609 2.712 2.677 0.000 -0.165 0.000 3/29160 160.0 2.423 2.528 2.490 0.000 -0.151 0.000 3/29160 170.0 2.262 2.370 2.329 0.000 -0.140 0.000 3/29160 180.0 2.123 2.231 2.188 0.000 -0.131 0.000 3/29160 190.0 2.000 2.108 2.064 0.000 -0.123 0.000 3/29160 200.0 1.891 2.000 1.954 0.000 -0.116 0.000 3/29160 210.0 1.794 1.902 1.856 0.000 -0.109 0.000 3/29160 220.0 1.707 1.814 1.768 0.000 -0.104 0.000 3/29160 230.0 1.628 1.734 1.687 0.000 -0.099 0.000 3/29160 240.0 1.556 1.661 1.614 0.000 -0.094 0.000 3/29160 250.0 1.491 1.594 1.548 0.000 -0.090 0.000 3/29160 260.0 1.431 1.533 1.487 0.000 -0.086 0.000 3/29160 270.0 1.376 1.476 1.430 0.000 -0.083 0.000 3/29160 280.0 1.325 1.424 1.378 0.000 -0.080 0.000 3/29160 290.0 1.278 1.375 1.330 0.000 -0.077 0.000 3/29160 300.0 1.234 1.329 1.284 0.000 -0.074 0.000 3/29160 310.0 1.193 1.287 1.242 0.000 -0.071 0.000 3/29160 320.0 1.155 1.247 1.203 0.000 -0.069 0.000 3/29160 330.0 1.119 1.209 1.166 0.000 -0.067 0.000 3/29160 340.0 1.085 1.174 1.132 0.000 -0.065 0.000 3/29160 350.0 1.054 1.141 1.099 0.000 -0.063 0.000 3/29160 360.0 1.024 1.109 1.068 0.000 -0.061 0.000 3/29160 370.0 0.996 1.080 1.039 0.000 -0.059 0.000 3/29160 380.0 0.969 1.052 1.012 0.000 -0.058 0.000 3/29160 390.0 0.944 1.025 0.986 0.000 -0.056 0.000 3/29160 400.0 0.920 1.000 0.961 0.000 -0.055 0.000 3/29160 410.0 0.897 0.975 0.937 0.000 -0.054 0.000 3/29160 420.0 0.876 0.952 0.915 0.000 -0.052 0.000 3/29160 430.0 0.855 0.931 0.894 0.000 -0.051 0.000 3/29160 440.0 0.835 0.910 0.873 0.000 -0.050 0.000 3/29160 450.0 0.817 0.890 0.854 0.000 -0.049 0.000 3/29160 460.0 0.799 0.870 0.835 0.000 -0.048 0.000 3/29160 470.0 0.782 0.852 0.817 0.000 -0.047 0.000 3/29160 480.0 0.765 0.834 0.800 0.000 -0.046 0.000 3/29160 490.0 0.750 0.818 0.784 0.000 -0.045 0.000 3/29160 500.0 0.734 0.801 0.768 0.000 -0.044 0.000 3/29160 510.0 0.720 0.786 0.753 0.000 -0.043 0.000 3/29160 520.0 0.706 0.771 0.739 0.000 -0.042 0.000 3/29160 530.0 0.693 0.756 0.725 0.000 -0.041 0.000 3/29160 540.0 0.680 0.743 0.711 0.000 -0.041 0.000 3/29160 550.0 0.667 0.729 0.699 0.000 -0.040 0.000 3/29160 560.0 0.655 0.716 0.686 0.000 -0.039 0.000 3/29160 570.0 0.644 0.704 0.674 0.000 -0.038 0.000 3/29160 580.0 0.633 0.692 0.662 0.000 -0.038 0.000 3/29160 590.0 0.622 0.680 0.651 0.000 -0.037 0.000 3/29160 600.0 0.611 0.669 0.640 0.000 -0.036 0.000 3/29160 610.0 0.601 0.658 0.630 0.000 -0.036 0.000 3/29160 620.0 0.592 0.647 0.620 0.000 -0.035 0.000 3/29160 630.0 0.582 0.637 0.610 0.000 -0.035 0.000 3/29160 640.0 0.573 0.627 0.600 0.000 -0.034 0.000 3/29160 650.0 0.564 0.618 0.591 0.000 -0.034 0.000 3/29160 660.0 0.556 0.608 0.582 0.000 -0.033 0.000 3/29160 670.0 0.547 0.599 0.573 0.000 -0.033 0.000 3/29160 680.0 0.539 0.591 0.565 0.000 -0.032 0.000 3/29160 690.0 0.531 0.582 0.557 0.000 -0.032 0.000 3/29160 700.0 0.524 0.574 0.549 0.000 -0.031 0.000 3/29160 710.0 0.516 0.566 0.541 0.000 -0.031 0.000 3/29160 720.0 0.509 0.558 0.534 0.000 -0.030 0.000 3/29160 730.0 0.502 0.550 0.526 0.000 -0.030 0.000 3/29160 740.0 0.495 0.543 0.519 0.000 -0.030 0.000 3/29160 750.0 0.489 0.536 0.512 0.000 -0.029 0.000 3/29160 760.0 0.482 0.529 0.506 0.000 -0.029 0.000 3/29160 770.0 0.476 0.522 0.499 0.000 -0.028 0.000 3/29160 780.0 0.470 0.515 0.493 0.000 -0.028 0.000 3/29160 790.0 0.464 0.509 0.486 0.000 -0.028 0.000 3/29160 800.0 0.458 0.502 0.480 0.000 -0.027 0.000 3/29160 810.0 0.453 0.496 0.474 0.000 -0.027 0.000 3/29160 820.0 0.447 0.490 0.469 0.000 -0.027 0.000 3/29160 830.0 0.442 0.484 0.463 0.000 -0.026 0.000 3/29160 840.0 0.436 0.479 0.458 0.000 -0.026 0.000 3/29160 850.0 0.431 0.473 0.452 0.000 -0.026 0.000 3/29160 860.0 0.426 0.468 0.447 0.000 -0.025 0.000 3/29160 870.0 0.421 0.462 0.442 0.000 -0.025 0.000 3/29160 880.0 0.417 0.457 0.437 0.000 -0.025 0.000 3/29160 890.0 0.412 0.452 0.432 0.000 -0.025 0.000 3/29160 900.0 0.407 0.447 0.427 0.000 -0.024 0.000 3/29160 910.0 0.403 0.442 0.422 0.000 -0.024 0.000 3/29160 920.0 0.398 0.437 0.418 0.000 -0.024 0.000 3/29160 930.0 0.394 0.433 0.413 0.000 -0.023 0.000 3/29160 940.0 0.390 0.428 0.409 0.000 -0.023 0.000 3/29160 950.0 0.386 0.423 0.405 0.000 -0.023 0.000 3/29160 960.0 0.382 0.419 0.400 0.000 -0.023 0.000 3/29160 970.0 0.378 0.415 0.396 0.000 -0.022 0.000 3/29160 980.0 0.374 0.411 0.392 0.000 -0.022 0.000 3/29160 990.0 0.370 0.406 0.388 0.000 -0.022 0.000 3/29160 1000.0 0.366 0.402 0.384 0.000 -0.022 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:43:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|