----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:33:33]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.400211850443737 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -0.429402862368794 0.000000000000000 6.995897938012495 Atomic positions (fractional): *1 In 0.79410375052717 0.02415432976819 0.62878622220507 114.818 2 In 0.20589624947283 0.52415432976819 0.87121377779493 114.818 3 In 0.20589624947283 0.97584567023181 0.37121377779493 114.818 4 In 0.79410375052717 0.47584567023181 0.12878622220507 114.818 *5 In 0.82102558027155 0.31069205100977 0.63459078551139 114.818 6 In 0.17897441972845 0.81069205100977 0.86540921448861 114.818 7 In 0.17897441972845 0.68930794899023 0.36540921448862 114.818 8 In 0.82102558027155 0.18930794899023 0.13459078551138 114.818 *9 Te 0.16024862936568 0.00249122750400 0.76699694803047 127.600 10 Te 0.83975137063432 0.50249122750400 0.73300305196953 127.600 11 Te 0.83975137063432 0.99750877249600 0.23300305196953 127.600 12 Te 0.16024862936568 0.49750877249600 0.26699694803047 127.600 *13 Te 0.59944645862928 0.17161835785342 0.77691048061288 127.600 14 Te 0.40055354137073 0.67161835785343 0.72308951938712 127.600 15 Te 0.40055354137073 0.82838164214657 0.22308951938712 127.600 16 Te 0.59944645862928 0.32838164214658 0.27691048061288 127.600 *17 Cl 0.06250317739216 0.23253139792339 0.47030867644182 35.453 18 Cl 0.93749682260784 0.73253139792339 0.02969132355818 35.453 19 Cl 0.93749682260784 0.76746860207661 0.52969132355818 35.453 20 Cl 0.06250317739216 0.26746860207661 0.97030867644182 35.453 *21 Cl 0.39192579242908 0.39639113451424 0.76743272976800 35.453 22 Cl 0.60807420757092 0.89639113451424 0.73256727023200 35.453 23 Cl 0.60807420757092 0.60360886548576 0.23256727023200 35.453 24 Cl 0.39192579242908 0.10360886548576 0.26743272976800 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.400211850443737 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -0.429402862368794 0.000000000000000 6.995897938012495 Atomic positions (fractional): *1 In 0.79410375052717 0.02415432976819 0.62878622220507 114.818 > 1 2 In 0.20589624947283 0.52415432976819 0.87121377779493 114.818 > 2 3 In 0.20589624947283 0.97584567023181 0.37121377779493 114.818 > 3 4 In 0.79410375052717 0.47584567023181 0.12878622220507 114.818 > 4 *5 In 0.82102558027155 0.31069205100977 0.63459078551139 114.818 > 5 6 In 0.17897441972845 0.81069205100977 0.86540921448861 114.818 > 6 7 In 0.17897441972845 0.68930794899023 0.36540921448862 114.818 > 7 8 In 0.82102558027155 0.18930794899023 0.13459078551139 114.818 > 8 *9 Te 0.16024862936568 0.00249122750400 0.76699694803047 127.600 > 9 10 Te 0.83975137063432 0.50249122750400 0.73300305196953 127.600 > 10 11 Te 0.83975137063432 0.99750877249600 0.23300305196953 127.600 > 11 12 Te 0.16024862936568 0.49750877249600 0.26699694803047 127.600 > 12 *13 Te 0.59944645862928 0.17161835785342 0.77691048061288 127.600 > 13 14 Te 0.40055354137073 0.67161835785343 0.72308951938712 127.600 > 14 15 Te 0.40055354137073 0.82838164214657 0.22308951938712 127.600 > 15 16 Te 0.59944645862928 0.32838164214658 0.27691048061288 127.600 > 16 *17 Cl 0.06250317739216 0.23253139792339 0.47030867644182 35.453 > 17 18 Cl 0.93749682260784 0.73253139792339 0.02969132355818 35.453 > 18 19 Cl 0.93749682260784 0.76746860207661 0.52969132355818 35.453 > 19 20 Cl 0.06250317739216 0.26746860207661 0.97030867644182 35.453 > 20 *21 Cl 0.39192579242908 0.39639113451424 0.76743272976800 35.453 > 21 22 Cl 0.60807420757092 0.89639113451424 0.73256727023200 35.453 > 22 23 Cl 0.60807420757092 0.60360886548576 0.23256727023200 35.453 > 23 24 Cl 0.39192579242908 0.10360886548576 0.26743272976800 35.453 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.800423700887475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -1.288208587106382 0.000000000000000 20.987693814037485 Atomic positions (fractional): *1 In 0.39705187526358 0.02415432976819 0.20959540740169 114.818 > 1 2 In 0.89705187526358 0.02415432976819 0.20959540740169 114.818 > 1 3 In 0.39705187526358 0.02415432976819 0.54292874073502 114.818 > 1 4 In 0.89705187526358 0.02415432976819 0.54292874073502 114.818 > 1 5 In 0.39705187526358 0.02415432976819 0.87626207406836 114.818 > 1 6 In 0.89705187526358 0.02415432976819 0.87626207406836 114.818 > 1 7 In 0.10294812473642 0.52415432976819 0.29040459259831 114.818 > 2 8 In 0.60294812473642 0.52415432976819 0.29040459259831 114.818 > 2 9 In 0.10294812473642 0.52415432976819 0.62373792593164 114.818 > 2 10 In 0.60294812473642 0.52415432976819 0.62373792593164 114.818 > 2 11 In 0.10294812473642 0.52415432976819 0.95707125926498 114.818 > 2 12 In 0.60294812473642 0.52415432976819 0.95707125926498 114.818 > 2 13 In 0.10294812473642 0.97584567023181 0.12373792593164 114.818 > 3 14 In 0.60294812473642 0.97584567023181 0.12373792593164 114.818 > 3 15 In 0.10294812473642 0.97584567023181 0.45707125926498 114.818 > 3 16 In 0.60294812473642 0.97584567023181 0.45707125926498 114.818 > 3 17 In 0.10294812473642 0.97584567023181 0.79040459259831 114.818 > 3 18 In 0.60294812473642 0.97584567023181 0.79040459259831 114.818 > 3 19 In 0.39705187526358 0.47584567023181 0.04292874073502 114.818 > 4 20 In 0.89705187526358 0.47584567023181 0.04292874073502 114.818 > 4 21 In 0.39705187526358 0.47584567023181 0.37626207406836 114.818 > 4 22 In 0.89705187526358 0.47584567023181 0.37626207406836 114.818 > 4 23 In 0.39705187526358 0.47584567023181 0.70959540740169 114.818 > 4 24 In 0.89705187526358 0.47584567023181 0.70959540740169 114.818 > 4 *25 In 0.41051279013577 0.31069205100977 0.21153026183713 114.818 > 5 26 In 0.91051279013577 0.31069205100977 0.21153026183713 114.818 > 5 27 In 0.41051279013577 0.31069205100977 0.54486359517046 114.818 > 5 28 In 0.91051279013577 0.31069205100977 0.54486359517046 114.818 > 5 29 In 0.41051279013577 0.31069205100977 0.87819692850379 114.818 > 5 30 In 0.91051279013577 0.31069205100977 0.87819692850379 114.818 > 5 31 In 0.08948720986423 0.81069205100977 0.28846973816287 114.818 > 6 32 In 0.58948720986423 0.81069205100977 0.28846973816287 114.818 > 6 33 In 0.08948720986423 0.81069205100977 0.62180307149620 114.818 > 6 34 In 0.58948720986423 0.81069205100977 0.62180307149620 114.818 > 6 35 In 0.08948720986423 0.81069205100977 0.95513640482954 114.818 > 6 36 In 0.58948720986423 0.81069205100977 0.95513640482954 114.818 > 6 37 In 0.08948720986423 0.68930794899023 0.12180307149621 114.818 > 7 38 In 0.58948720986423 0.68930794899023 0.12180307149621 114.818 > 7 39 In 0.08948720986423 0.68930794899023 0.45513640482954 114.818 > 7 40 In 0.58948720986423 0.68930794899023 0.45513640482954 114.818 > 7 41 In 0.08948720986423 0.68930794899023 0.78846973816287 114.818 > 7 42 In 0.58948720986423 0.68930794899023 0.78846973816287 114.818 > 7 43 In 0.41051279013577 0.18930794899023 0.04486359517046 114.818 > 8 44 In 0.91051279013577 0.18930794899023 0.04486359517046 114.818 > 8 45 In 0.41051279013577 0.18930794899023 0.37819692850379 114.818 > 8 46 In 0.91051279013577 0.18930794899023 0.37819692850379 114.818 > 8 47 In 0.41051279013577 0.18930794899023 0.71153026183713 114.818 > 8 48 In 0.91051279013577 0.18930794899023 0.71153026183713 114.818 > 8 *49 Te 0.08012431468284 0.00249122750400 0.25566564934349 127.600 > 9 50 Te 0.58012431468284 0.00249122750400 0.25566564934349 127.600 > 9 51 Te 0.08012431468284 0.00249122750400 0.58899898267682 127.600 > 9 52 Te 0.58012431468284 0.00249122750400 0.58899898267682 127.600 > 9 53 Te 0.08012431468284 0.00249122750400 0.92233231601016 127.600 > 9 54 Te 0.58012431468284 0.00249122750400 0.92233231601016 127.600 > 9 55 Te 0.41987568531716 0.50249122750400 0.24433435065651 127.600 > 10 56 Te 0.91987568531716 0.50249122750400 0.24433435065651 127.600 > 10 57 Te 0.41987568531716 0.50249122750400 0.57766768398984 127.600 > 10 58 Te 0.91987568531716 0.50249122750400 0.57766768398984 127.600 > 10 59 Te 0.41987568531716 0.50249122750400 0.91100101732318 127.600 > 10 60 Te 0.91987568531716 0.50249122750400 0.91100101732318 127.600 > 10 61 Te 0.41987568531716 0.99750877249600 0.07766768398984 127.600 > 11 62 Te 0.91987568531716 0.99750877249600 0.07766768398984 127.600 > 11 63 Te 0.41987568531716 0.99750877249600 0.41100101732318 127.600 > 11 64 Te 0.91987568531716 0.99750877249600 0.41100101732318 127.600 > 11 65 Te 0.41987568531716 0.99750877249600 0.74433435065651 127.600 > 11 66 Te 0.91987568531716 0.99750877249600 0.74433435065651 127.600 > 11 67 Te 0.08012431468284 0.49750877249600 0.08899898267682 127.600 > 12 68 Te 0.58012431468284 0.49750877249600 0.08899898267682 127.600 > 12 69 Te 0.08012431468284 0.49750877249600 0.42233231601016 127.600 > 12 70 Te 0.58012431468284 0.49750877249600 0.42233231601016 127.600 > 12 71 Te 0.08012431468284 0.49750877249600 0.75566564934349 127.600 > 12 72 Te 0.58012431468284 0.49750877249600 0.75566564934349 127.600 > 12 *73 Te 0.29972322931464 0.17161835785342 0.25897016020429 127.600 > 13 74 Te 0.79972322931464 0.17161835785342 0.25897016020429 127.600 > 13 75 Te 0.29972322931464 0.17161835785342 0.59230349353763 127.600 > 13 76 Te 0.79972322931464 0.17161835785342 0.59230349353763 127.600 > 13 77 Te 0.29972322931464 0.17161835785342 0.92563682687096 127.600 > 13 78 Te 0.79972322931464 0.17161835785342 0.92563682687096 127.600 > 13 79 Te 0.20027677068536 0.67161835785343 0.24102983979571 127.600 > 14 80 Te 0.70027677068536 0.67161835785343 0.24102983979571 127.600 > 14 81 Te 0.20027677068536 0.67161835785343 0.57436317312904 127.600 > 14 82 Te 0.70027677068536 0.67161835785343 0.57436317312904 127.600 > 14 83 Te 0.20027677068536 0.67161835785343 0.90769650646237 127.600 > 14 84 Te 0.70027677068536 0.67161835785343 0.90769650646237 127.600 > 14 85 Te 0.20027677068536 0.82838164214657 0.07436317312904 127.600 > 15 86 Te 0.70027677068536 0.82838164214657 0.07436317312904 127.600 > 15 87 Te 0.20027677068536 0.82838164214657 0.40769650646237 127.600 > 15 88 Te 0.70027677068536 0.82838164214657 0.40769650646237 127.600 > 15 89 Te 0.20027677068536 0.82838164214657 0.74102983979571 127.600 > 15 90 Te 0.70027677068536 0.82838164214657 0.74102983979571 127.600 > 15 91 Te 0.29972322931464 0.32838164214658 0.09230349353763 127.600 > 16 92 Te 0.79972322931464 0.32838164214658 0.09230349353763 127.600 > 16 93 Te 0.29972322931464 0.32838164214658 0.42563682687096 127.600 > 16 94 Te 0.79972322931464 0.32838164214658 0.42563682687096 127.600 > 16 95 Te 0.29972322931464 0.32838164214658 0.75897016020429 127.600 > 16 96 Te 0.79972322931464 0.32838164214658 0.75897016020429 127.600 > 16 *97 Cl 0.03125158869608 0.23253139792339 0.15676955881394 35.453 > 17 98 Cl 0.53125158869608 0.23253139792339 0.15676955881394 35.453 > 17 99 Cl 0.03125158869608 0.23253139792339 0.49010289214727 35.453 > 17 100 Cl 0.53125158869608 0.23253139792339 0.49010289214727 35.453 > 17 101 Cl 0.03125158869608 0.23253139792339 0.82343622548061 35.453 > 17 102 Cl 0.53125158869608 0.23253139792339 0.82343622548061 35.453 > 17 103 Cl 0.46874841130392 0.73253139792339 0.00989710785273 35.453 > 18 104 Cl 0.96874841130392 0.73253139792339 0.00989710785273 35.453 > 18 105 Cl 0.46874841130392 0.73253139792339 0.34323044118606 35.453 > 18 106 Cl 0.96874841130392 0.73253139792339 0.34323044118606 35.453 > 18 107 Cl 0.46874841130392 0.73253139792339 0.67656377451939 35.453 > 18 108 Cl 0.96874841130392 0.73253139792339 0.67656377451939 35.453 > 18 109 Cl 0.46874841130392 0.76746860207661 0.17656377451939 35.453 > 19 110 Cl 0.96874841130392 0.76746860207661 0.17656377451939 35.453 > 19 111 Cl 0.46874841130392 0.76746860207661 0.50989710785273 35.453 > 19 112 Cl 0.96874841130392 0.76746860207661 0.50989710785273 35.453 > 19 113 Cl 0.46874841130392 0.76746860207661 0.84323044118606 35.453 > 19 114 Cl 0.96874841130392 0.76746860207661 0.84323044118606 35.453 > 19 115 Cl 0.03125158869608 0.26746860207661 0.32343622548061 35.453 > 20 116 Cl 0.53125158869608 0.26746860207661 0.32343622548061 35.453 > 20 117 Cl 0.03125158869608 0.26746860207661 0.65676955881394 35.453 > 20 118 Cl 0.53125158869608 0.26746860207661 0.65676955881394 35.453 > 20 119 Cl 0.03125158869608 0.26746860207661 0.99010289214727 35.453 > 20 120 Cl 0.53125158869608 0.26746860207661 0.99010289214727 35.453 > 20 *121 Cl 0.19596289621454 0.39639113451424 0.25581090992267 35.453 > 21 122 Cl 0.69596289621454 0.39639113451424 0.25581090992267 35.453 > 21 123 Cl 0.19596289621454 0.39639113451424 0.58914424325600 35.453 > 21 124 Cl 0.69596289621454 0.39639113451424 0.58914424325600 35.453 > 21 125 Cl 0.19596289621454 0.39639113451424 0.92247757658933 35.453 > 21 126 Cl 0.69596289621454 0.39639113451424 0.92247757658933 35.453 > 21 127 Cl 0.30403710378546 0.89639113451424 0.24418909007733 35.453 > 22 128 Cl 0.80403710378546 0.89639113451424 0.24418909007733 35.453 > 22 129 Cl 0.30403710378546 0.89639113451424 0.57752242341067 35.453 > 22 130 Cl 0.80403710378546 0.89639113451424 0.57752242341067 35.453 > 22 131 Cl 0.30403710378546 0.89639113451424 0.91085575674400 35.453 > 22 132 Cl 0.80403710378546 0.89639113451424 0.91085575674400 35.453 > 22 133 Cl 0.30403710378546 0.60360886548576 0.07752242341067 35.453 > 23 134 Cl 0.80403710378546 0.60360886548576 0.07752242341067 35.453 > 23 135 Cl 0.30403710378546 0.60360886548576 0.41085575674400 35.453 > 23 136 Cl 0.80403710378546 0.60360886548576 0.41085575674400 35.453 > 23 137 Cl 0.30403710378546 0.60360886548576 0.74418909007733 35.453 > 23 138 Cl 0.80403710378546 0.60360886548576 0.74418909007733 35.453 > 23 139 Cl 0.19596289621454 0.10360886548576 0.08914424325600 35.453 > 24 140 Cl 0.69596289621454 0.10360886548576 0.08914424325600 35.453 > 24 141 Cl 0.19596289621454 0.10360886548576 0.42247757658933 35.453 > 24 142 Cl 0.69596289621454 0.10360886548576 0.42247757658933 35.453 > 24 143 Cl 0.19596289621454 0.10360886548576 0.75581090992267 35.453 > 24 144 Cl 0.69596289621454 0.10360886548576 0.75581090992267 35.453 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0144683 0.0000000 -0.1546521 0.0000000 7.5899869 0.0000000 -0.1546548 0.0000000 7.5724065 -------------------------- Born effective charges -------------------------- 1 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 2 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 3 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 4 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 5 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 6 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 7 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 8 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 9 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 10 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 11 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 12 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 13 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 14 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 15 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 16 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 17 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 18 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 19 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 20 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 21 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 22 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 23 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 24 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.668 Solver_block: 200 / 720 - Time: 1.811 Solver_block: 300 / 720 - Time: 3.040 Solver_block: 400 / 720 - Time: 2.666 Solver_block: 500 / 720 - Time: 2.476 Solver_block: 600 / 720 - Time: 2.520 Solver_block: 700 / 720 - Time: 2.451 Solver_block: 720 / 720 - Time: 0.400 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.399 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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 09:34:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:34:51]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.400211850443737 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -0.429402862368794 0.000000000000000 6.995897938012495 Atomic positions (fractional): 1 In 0.79410375052717 0.02415432976819 0.62878622220507 114.818 2 In 0.20589624947283 0.52415432976819 0.87121377779493 114.818 3 In 0.20589624947283 0.97584567023181 0.37121377779493 114.818 4 In 0.79410375052717 0.47584567023181 0.12878622220507 114.818 5 In 0.82102558027155 0.31069205100977 0.63459078551139 114.818 6 In 0.17897441972845 0.81069205100977 0.86540921448861 114.818 7 In 0.17897441972845 0.68930794899023 0.36540921448862 114.818 8 In 0.82102558027155 0.18930794899023 0.13459078551138 114.818 9 Te 0.16024862936568 0.00249122750400 0.76699694803047 127.600 10 Te 0.83975137063432 0.50249122750400 0.73300305196953 127.600 11 Te 0.83975137063432 0.99750877249600 0.23300305196953 127.600 12 Te 0.16024862936568 0.49750877249600 0.26699694803047 127.600 13 Te 0.59944645862928 0.17161835785342 0.77691048061288 127.600 14 Te 0.40055354137073 0.67161835785343 0.72308951938712 127.600 15 Te 0.40055354137073 0.82838164214657 0.22308951938712 127.600 16 Te 0.59944645862928 0.32838164214658 0.27691048061288 127.600 17 Cl 0.06250317739216 0.23253139792339 0.47030867644182 35.453 18 Cl 0.93749682260784 0.73253139792339 0.02969132355818 35.453 19 Cl 0.93749682260784 0.76746860207661 0.52969132355818 35.453 20 Cl 0.06250317739216 0.26746860207661 0.97030867644182 35.453 21 Cl 0.39192579242908 0.39639113451424 0.76743272976800 35.453 22 Cl 0.60807420757092 0.89639113451424 0.73256727023200 35.453 23 Cl 0.60807420757092 0.60360886548576 0.23256727023200 35.453 24 Cl 0.39192579242908 0.10360886548576 0.26743272976800 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.800423700887475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -1.288208587106382 0.000000000000000 20.987693814037485 Atomic positions (fractional): 1 In 0.39705187526358 0.02415432976819 0.20959540740169 114.818 > 1 2 In 0.89705187526358 0.02415432976819 0.20959540740169 114.818 > 1 3 In 0.39705187526358 0.02415432976819 0.54292874073502 114.818 > 1 4 In 0.89705187526358 0.02415432976819 0.54292874073502 114.818 > 1 5 In 0.39705187526358 0.02415432976819 0.87626207406836 114.818 > 1 6 In 0.89705187526358 0.02415432976819 0.87626207406836 114.818 > 1 7 In 0.10294812473642 0.52415432976819 0.29040459259831 114.818 > 7 8 In 0.60294812473642 0.52415432976819 0.29040459259831 114.818 > 7 9 In 0.10294812473642 0.52415432976819 0.62373792593164 114.818 > 7 10 In 0.60294812473642 0.52415432976819 0.62373792593164 114.818 > 7 11 In 0.10294812473642 0.52415432976819 0.95707125926498 114.818 > 7 12 In 0.60294812473642 0.52415432976819 0.95707125926498 114.818 > 7 13 In 0.10294812473642 0.97584567023181 0.12373792593164 114.818 > 13 14 In 0.60294812473642 0.97584567023181 0.12373792593164 114.818 > 13 15 In 0.10294812473642 0.97584567023181 0.45707125926498 114.818 > 13 16 In 0.60294812473642 0.97584567023181 0.45707125926498 114.818 > 13 17 In 0.10294812473642 0.97584567023181 0.79040459259831 114.818 > 13 18 In 0.60294812473642 0.97584567023181 0.79040459259831 114.818 > 13 19 In 0.39705187526358 0.47584567023181 0.04292874073502 114.818 > 19 20 In 0.89705187526358 0.47584567023181 0.04292874073502 114.818 > 19 21 In 0.39705187526358 0.47584567023181 0.37626207406836 114.818 > 19 22 In 0.89705187526358 0.47584567023181 0.37626207406836 114.818 > 19 23 In 0.39705187526358 0.47584567023181 0.70959540740169 114.818 > 19 24 In 0.89705187526358 0.47584567023181 0.70959540740169 114.818 > 19 25 In 0.41051279013577 0.31069205100977 0.21153026183713 114.818 > 25 26 In 0.91051279013577 0.31069205100977 0.21153026183713 114.818 > 25 27 In 0.41051279013577 0.31069205100977 0.54486359517046 114.818 > 25 28 In 0.91051279013577 0.31069205100977 0.54486359517046 114.818 > 25 29 In 0.41051279013577 0.31069205100977 0.87819692850379 114.818 > 25 30 In 0.91051279013577 0.31069205100977 0.87819692850379 114.818 > 25 31 In 0.08948720986423 0.81069205100977 0.28846973816287 114.818 > 31 32 In 0.58948720986423 0.81069205100977 0.28846973816287 114.818 > 31 33 In 0.08948720986423 0.81069205100977 0.62180307149620 114.818 > 31 34 In 0.58948720986423 0.81069205100977 0.62180307149620 114.818 > 31 35 In 0.08948720986423 0.81069205100977 0.95513640482954 114.818 > 31 36 In 0.58948720986423 0.81069205100977 0.95513640482954 114.818 > 31 37 In 0.08948720986423 0.68930794899023 0.12180307149621 114.818 > 37 38 In 0.58948720986423 0.68930794899023 0.12180307149621 114.818 > 37 39 In 0.08948720986423 0.68930794899023 0.45513640482954 114.818 > 37 40 In 0.58948720986423 0.68930794899023 0.45513640482954 114.818 > 37 41 In 0.08948720986423 0.68930794899023 0.78846973816287 114.818 > 37 42 In 0.58948720986423 0.68930794899023 0.78846973816287 114.818 > 37 43 In 0.41051279013577 0.18930794899023 0.04486359517046 114.818 > 43 44 In 0.91051279013577 0.18930794899023 0.04486359517046 114.818 > 43 45 In 0.41051279013577 0.18930794899023 0.37819692850379 114.818 > 43 46 In 0.91051279013577 0.18930794899023 0.37819692850379 114.818 > 43 47 In 0.41051279013577 0.18930794899023 0.71153026183713 114.818 > 43 48 In 0.91051279013577 0.18930794899023 0.71153026183713 114.818 > 43 49 Te 0.08012431468284 0.00249122750400 0.25566564934349 127.600 > 49 50 Te 0.58012431468284 0.00249122750400 0.25566564934349 127.600 > 49 51 Te 0.08012431468284 0.00249122750400 0.58899898267682 127.600 > 49 52 Te 0.58012431468284 0.00249122750400 0.58899898267682 127.600 > 49 53 Te 0.08012431468284 0.00249122750400 0.92233231601016 127.600 > 49 54 Te 0.58012431468284 0.00249122750400 0.92233231601016 127.600 > 49 55 Te 0.41987568531716 0.50249122750400 0.24433435065651 127.600 > 55 56 Te 0.91987568531716 0.50249122750400 0.24433435065651 127.600 > 55 57 Te 0.41987568531716 0.50249122750400 0.57766768398984 127.600 > 55 58 Te 0.91987568531716 0.50249122750400 0.57766768398984 127.600 > 55 59 Te 0.41987568531716 0.50249122750400 0.91100101732318 127.600 > 55 60 Te 0.91987568531716 0.50249122750400 0.91100101732318 127.600 > 55 61 Te 0.41987568531716 0.99750877249600 0.07766768398984 127.600 > 61 62 Te 0.91987568531716 0.99750877249600 0.07766768398984 127.600 > 61 63 Te 0.41987568531716 0.99750877249600 0.41100101732318 127.600 > 61 64 Te 0.91987568531716 0.99750877249600 0.41100101732318 127.600 > 61 65 Te 0.41987568531716 0.99750877249600 0.74433435065651 127.600 > 61 66 Te 0.91987568531716 0.99750877249600 0.74433435065651 127.600 > 61 67 Te 0.08012431468284 0.49750877249600 0.08899898267682 127.600 > 67 68 Te 0.58012431468284 0.49750877249600 0.08899898267682 127.600 > 67 69 Te 0.08012431468284 0.49750877249600 0.42233231601016 127.600 > 67 70 Te 0.58012431468284 0.49750877249600 0.42233231601016 127.600 > 67 71 Te 0.08012431468284 0.49750877249600 0.75566564934349 127.600 > 67 72 Te 0.58012431468284 0.49750877249600 0.75566564934349 127.600 > 67 73 Te 0.29972322931464 0.17161835785342 0.25897016020429 127.600 > 73 74 Te 0.79972322931464 0.17161835785342 0.25897016020429 127.600 > 73 75 Te 0.29972322931464 0.17161835785342 0.59230349353763 127.600 > 73 76 Te 0.79972322931464 0.17161835785342 0.59230349353763 127.600 > 73 77 Te 0.29972322931464 0.17161835785342 0.92563682687096 127.600 > 73 78 Te 0.79972322931464 0.17161835785342 0.92563682687096 127.600 > 73 79 Te 0.20027677068536 0.67161835785343 0.24102983979571 127.600 > 79 80 Te 0.70027677068536 0.67161835785343 0.24102983979571 127.600 > 79 81 Te 0.20027677068536 0.67161835785343 0.57436317312904 127.600 > 79 82 Te 0.70027677068536 0.67161835785343 0.57436317312904 127.600 > 79 83 Te 0.20027677068536 0.67161835785343 0.90769650646237 127.600 > 79 84 Te 0.70027677068536 0.67161835785343 0.90769650646237 127.600 > 79 85 Te 0.20027677068536 0.82838164214657 0.07436317312904 127.600 > 85 86 Te 0.70027677068536 0.82838164214657 0.07436317312904 127.600 > 85 87 Te 0.20027677068536 0.82838164214657 0.40769650646237 127.600 > 85 88 Te 0.70027677068536 0.82838164214657 0.40769650646237 127.600 > 85 89 Te 0.20027677068536 0.82838164214657 0.74102983979571 127.600 > 85 90 Te 0.70027677068536 0.82838164214657 0.74102983979571 127.600 > 85 91 Te 0.29972322931464 0.32838164214658 0.09230349353763 127.600 > 91 92 Te 0.79972322931464 0.32838164214658 0.09230349353763 127.600 > 91 93 Te 0.29972322931464 0.32838164214658 0.42563682687096 127.600 > 91 94 Te 0.79972322931464 0.32838164214658 0.42563682687096 127.600 > 91 95 Te 0.29972322931464 0.32838164214658 0.75897016020429 127.600 > 91 96 Te 0.79972322931464 0.32838164214658 0.75897016020429 127.600 > 91 97 Cl 0.03125158869608 0.23253139792339 0.15676955881394 35.453 > 97 98 Cl 0.53125158869608 0.23253139792339 0.15676955881394 35.453 > 97 99 Cl 0.03125158869608 0.23253139792339 0.49010289214727 35.453 > 97 100 Cl 0.53125158869608 0.23253139792339 0.49010289214727 35.453 > 97 101 Cl 0.03125158869608 0.23253139792339 0.82343622548061 35.453 > 97 102 Cl 0.53125158869608 0.23253139792339 0.82343622548061 35.453 > 97 103 Cl 0.46874841130392 0.73253139792339 0.00989710785273 35.453 > 103 104 Cl 0.96874841130392 0.73253139792339 0.00989710785273 35.453 > 103 105 Cl 0.46874841130392 0.73253139792339 0.34323044118606 35.453 > 103 106 Cl 0.96874841130392 0.73253139792339 0.34323044118606 35.453 > 103 107 Cl 0.46874841130392 0.73253139792339 0.67656377451939 35.453 > 103 108 Cl 0.96874841130392 0.73253139792339 0.67656377451939 35.453 > 103 109 Cl 0.46874841130392 0.76746860207661 0.17656377451939 35.453 > 109 110 Cl 0.96874841130392 0.76746860207661 0.17656377451939 35.453 > 109 111 Cl 0.46874841130392 0.76746860207661 0.50989710785273 35.453 > 109 112 Cl 0.96874841130392 0.76746860207661 0.50989710785273 35.453 > 109 113 Cl 0.46874841130392 0.76746860207661 0.84323044118606 35.453 > 109 114 Cl 0.96874841130392 0.76746860207661 0.84323044118606 35.453 > 109 115 Cl 0.03125158869608 0.26746860207661 0.32343622548061 35.453 > 115 116 Cl 0.53125158869608 0.26746860207661 0.32343622548061 35.453 > 115 117 Cl 0.03125158869608 0.26746860207661 0.65676955881394 35.453 > 115 118 Cl 0.53125158869608 0.26746860207661 0.65676955881394 35.453 > 115 119 Cl 0.03125158869608 0.26746860207661 0.99010289214727 35.453 > 115 120 Cl 0.53125158869608 0.26746860207661 0.99010289214727 35.453 > 115 121 Cl 0.19596289621454 0.39639113451424 0.25581090992267 35.453 > 121 122 Cl 0.69596289621454 0.39639113451424 0.25581090992267 35.453 > 121 123 Cl 0.19596289621454 0.39639113451424 0.58914424325600 35.453 > 121 124 Cl 0.69596289621454 0.39639113451424 0.58914424325600 35.453 > 121 125 Cl 0.19596289621454 0.39639113451424 0.92247757658933 35.453 > 121 126 Cl 0.69596289621454 0.39639113451424 0.92247757658933 35.453 > 121 127 Cl 0.30403710378546 0.89639113451424 0.24418909007733 35.453 > 127 128 Cl 0.80403710378546 0.89639113451424 0.24418909007733 35.453 > 127 129 Cl 0.30403710378546 0.89639113451424 0.57752242341067 35.453 > 127 130 Cl 0.80403710378546 0.89639113451424 0.57752242341067 35.453 > 127 131 Cl 0.30403710378546 0.89639113451424 0.91085575674400 35.453 > 127 132 Cl 0.80403710378546 0.89639113451424 0.91085575674400 35.453 > 127 133 Cl 0.30403710378546 0.60360886548576 0.07752242341067 35.453 > 133 134 Cl 0.80403710378546 0.60360886548576 0.07752242341067 35.453 > 133 135 Cl 0.30403710378546 0.60360886548576 0.41085575674400 35.453 > 133 136 Cl 0.80403710378546 0.60360886548576 0.41085575674400 35.453 > 133 137 Cl 0.30403710378546 0.60360886548576 0.74418909007733 35.453 > 133 138 Cl 0.80403710378546 0.60360886548576 0.74418909007733 35.453 > 133 139 Cl 0.19596289621454 0.10360886548576 0.08914424325600 35.453 > 139 140 Cl 0.69596289621454 0.10360886548576 0.08914424325600 35.453 > 139 141 Cl 0.19596289621454 0.10360886548576 0.42247757658933 35.453 > 139 142 Cl 0.69596289621454 0.10360886548576 0.42247757658933 35.453 > 139 143 Cl 0.19596289621454 0.10360886548576 0.75581090992267 35.453 > 139 144 Cl 0.69596289621454 0.10360886548576 0.75581090992267 35.453 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0144683 0.0000000 -0.1546521 0.0000000 7.5899869 0.0000000 -0.1546548 0.0000000 7.5724065 -------------------------- Born effective charges -------------------------- 1 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 2 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 3 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 4 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 5 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 6 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 7 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 8 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 9 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 10 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 11 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 12 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 13 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 14 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 15 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 16 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 17 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 18 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 19 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 20 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 21 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 22 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 23 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 24 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 25, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 09:35:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:33]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.400211850443737 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -0.429402862368794 0.000000000000000 6.995897938012495 Atomic positions (fractional): 1 In 0.79410375052717 0.02415432976819 0.62878622220507 114.818 2 In 0.20589624947283 0.52415432976819 0.87121377779493 114.818 3 In 0.20589624947283 0.97584567023181 0.37121377779493 114.818 4 In 0.79410375052717 0.47584567023181 0.12878622220507 114.818 5 In 0.82102558027155 0.31069205100977 0.63459078551139 114.818 6 In 0.17897441972845 0.81069205100977 0.86540921448861 114.818 7 In 0.17897441972845 0.68930794899023 0.36540921448862 114.818 8 In 0.82102558027155 0.18930794899023 0.13459078551138 114.818 9 Te 0.16024862936568 0.00249122750400 0.76699694803047 127.600 10 Te 0.83975137063432 0.50249122750400 0.73300305196953 127.600 11 Te 0.83975137063432 0.99750877249600 0.23300305196953 127.600 12 Te 0.16024862936568 0.49750877249600 0.26699694803047 127.600 13 Te 0.59944645862928 0.17161835785342 0.77691048061288 127.600 14 Te 0.40055354137073 0.67161835785343 0.72308951938712 127.600 15 Te 0.40055354137073 0.82838164214657 0.22308951938712 127.600 16 Te 0.59944645862928 0.32838164214658 0.27691048061288 127.600 17 Cl 0.06250317739216 0.23253139792339 0.47030867644182 35.453 18 Cl 0.93749682260784 0.73253139792339 0.02969132355818 35.453 19 Cl 0.93749682260784 0.76746860207661 0.52969132355818 35.453 20 Cl 0.06250317739216 0.26746860207661 0.97030867644182 35.453 21 Cl 0.39192579242908 0.39639113451424 0.76743272976800 35.453 22 Cl 0.60807420757092 0.89639113451424 0.73256727023200 35.453 23 Cl 0.60807420757092 0.60360886548576 0.23256727023200 35.453 24 Cl 0.39192579242908 0.10360886548576 0.26743272976800 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.800423700887475 0.000000000000000 0.000000000000000 b 0.000000000000000 14.151098529999999 0.000000000000000 c -1.288208587106382 0.000000000000000 20.987693814037485 Atomic positions (fractional): 1 In 0.39705187526358 0.02415432976819 0.20959540740169 114.818 > 1 2 In 0.89705187526358 0.02415432976819 0.20959540740169 114.818 > 1 3 In 0.39705187526358 0.02415432976819 0.54292874073502 114.818 > 1 4 In 0.89705187526358 0.02415432976819 0.54292874073502 114.818 > 1 5 In 0.39705187526358 0.02415432976819 0.87626207406836 114.818 > 1 6 In 0.89705187526358 0.02415432976819 0.87626207406836 114.818 > 1 7 In 0.10294812473642 0.52415432976819 0.29040459259831 114.818 > 7 8 In 0.60294812473642 0.52415432976819 0.29040459259831 114.818 > 7 9 In 0.10294812473642 0.52415432976819 0.62373792593164 114.818 > 7 10 In 0.60294812473642 0.52415432976819 0.62373792593164 114.818 > 7 11 In 0.10294812473642 0.52415432976819 0.95707125926498 114.818 > 7 12 In 0.60294812473642 0.52415432976819 0.95707125926498 114.818 > 7 13 In 0.10294812473642 0.97584567023181 0.12373792593164 114.818 > 13 14 In 0.60294812473642 0.97584567023181 0.12373792593164 114.818 > 13 15 In 0.10294812473642 0.97584567023181 0.45707125926498 114.818 > 13 16 In 0.60294812473642 0.97584567023181 0.45707125926498 114.818 > 13 17 In 0.10294812473642 0.97584567023181 0.79040459259831 114.818 > 13 18 In 0.60294812473642 0.97584567023181 0.79040459259831 114.818 > 13 19 In 0.39705187526358 0.47584567023181 0.04292874073502 114.818 > 19 20 In 0.89705187526358 0.47584567023181 0.04292874073502 114.818 > 19 21 In 0.39705187526358 0.47584567023181 0.37626207406836 114.818 > 19 22 In 0.89705187526358 0.47584567023181 0.37626207406836 114.818 > 19 23 In 0.39705187526358 0.47584567023181 0.70959540740169 114.818 > 19 24 In 0.89705187526358 0.47584567023181 0.70959540740169 114.818 > 19 25 In 0.41051279013577 0.31069205100977 0.21153026183713 114.818 > 25 26 In 0.91051279013577 0.31069205100977 0.21153026183713 114.818 > 25 27 In 0.41051279013577 0.31069205100977 0.54486359517046 114.818 > 25 28 In 0.91051279013577 0.31069205100977 0.54486359517046 114.818 > 25 29 In 0.41051279013577 0.31069205100977 0.87819692850379 114.818 > 25 30 In 0.91051279013577 0.31069205100977 0.87819692850379 114.818 > 25 31 In 0.08948720986423 0.81069205100977 0.28846973816287 114.818 > 31 32 In 0.58948720986423 0.81069205100977 0.28846973816287 114.818 > 31 33 In 0.08948720986423 0.81069205100977 0.62180307149620 114.818 > 31 34 In 0.58948720986423 0.81069205100977 0.62180307149620 114.818 > 31 35 In 0.08948720986423 0.81069205100977 0.95513640482954 114.818 > 31 36 In 0.58948720986423 0.81069205100977 0.95513640482954 114.818 > 31 37 In 0.08948720986423 0.68930794899023 0.12180307149621 114.818 > 37 38 In 0.58948720986423 0.68930794899023 0.12180307149621 114.818 > 37 39 In 0.08948720986423 0.68930794899023 0.45513640482954 114.818 > 37 40 In 0.58948720986423 0.68930794899023 0.45513640482954 114.818 > 37 41 In 0.08948720986423 0.68930794899023 0.78846973816287 114.818 > 37 42 In 0.58948720986423 0.68930794899023 0.78846973816287 114.818 > 37 43 In 0.41051279013577 0.18930794899023 0.04486359517046 114.818 > 43 44 In 0.91051279013577 0.18930794899023 0.04486359517046 114.818 > 43 45 In 0.41051279013577 0.18930794899023 0.37819692850379 114.818 > 43 46 In 0.91051279013577 0.18930794899023 0.37819692850379 114.818 > 43 47 In 0.41051279013577 0.18930794899023 0.71153026183713 114.818 > 43 48 In 0.91051279013577 0.18930794899023 0.71153026183713 114.818 > 43 49 Te 0.08012431468284 0.00249122750400 0.25566564934349 127.600 > 49 50 Te 0.58012431468284 0.00249122750400 0.25566564934349 127.600 > 49 51 Te 0.08012431468284 0.00249122750400 0.58899898267682 127.600 > 49 52 Te 0.58012431468284 0.00249122750400 0.58899898267682 127.600 > 49 53 Te 0.08012431468284 0.00249122750400 0.92233231601016 127.600 > 49 54 Te 0.58012431468284 0.00249122750400 0.92233231601016 127.600 > 49 55 Te 0.41987568531716 0.50249122750400 0.24433435065651 127.600 > 55 56 Te 0.91987568531716 0.50249122750400 0.24433435065651 127.600 > 55 57 Te 0.41987568531716 0.50249122750400 0.57766768398984 127.600 > 55 58 Te 0.91987568531716 0.50249122750400 0.57766768398984 127.600 > 55 59 Te 0.41987568531716 0.50249122750400 0.91100101732318 127.600 > 55 60 Te 0.91987568531716 0.50249122750400 0.91100101732318 127.600 > 55 61 Te 0.41987568531716 0.99750877249600 0.07766768398984 127.600 > 61 62 Te 0.91987568531716 0.99750877249600 0.07766768398984 127.600 > 61 63 Te 0.41987568531716 0.99750877249600 0.41100101732318 127.600 > 61 64 Te 0.91987568531716 0.99750877249600 0.41100101732318 127.600 > 61 65 Te 0.41987568531716 0.99750877249600 0.74433435065651 127.600 > 61 66 Te 0.91987568531716 0.99750877249600 0.74433435065651 127.600 > 61 67 Te 0.08012431468284 0.49750877249600 0.08899898267682 127.600 > 67 68 Te 0.58012431468284 0.49750877249600 0.08899898267682 127.600 > 67 69 Te 0.08012431468284 0.49750877249600 0.42233231601016 127.600 > 67 70 Te 0.58012431468284 0.49750877249600 0.42233231601016 127.600 > 67 71 Te 0.08012431468284 0.49750877249600 0.75566564934349 127.600 > 67 72 Te 0.58012431468284 0.49750877249600 0.75566564934349 127.600 > 67 73 Te 0.29972322931464 0.17161835785342 0.25897016020429 127.600 > 73 74 Te 0.79972322931464 0.17161835785342 0.25897016020429 127.600 > 73 75 Te 0.29972322931464 0.17161835785342 0.59230349353763 127.600 > 73 76 Te 0.79972322931464 0.17161835785342 0.59230349353763 127.600 > 73 77 Te 0.29972322931464 0.17161835785342 0.92563682687096 127.600 > 73 78 Te 0.79972322931464 0.17161835785342 0.92563682687096 127.600 > 73 79 Te 0.20027677068536 0.67161835785343 0.24102983979571 127.600 > 79 80 Te 0.70027677068536 0.67161835785343 0.24102983979571 127.600 > 79 81 Te 0.20027677068536 0.67161835785343 0.57436317312904 127.600 > 79 82 Te 0.70027677068536 0.67161835785343 0.57436317312904 127.600 > 79 83 Te 0.20027677068536 0.67161835785343 0.90769650646237 127.600 > 79 84 Te 0.70027677068536 0.67161835785343 0.90769650646237 127.600 > 79 85 Te 0.20027677068536 0.82838164214657 0.07436317312904 127.600 > 85 86 Te 0.70027677068536 0.82838164214657 0.07436317312904 127.600 > 85 87 Te 0.20027677068536 0.82838164214657 0.40769650646237 127.600 > 85 88 Te 0.70027677068536 0.82838164214657 0.40769650646237 127.600 > 85 89 Te 0.20027677068536 0.82838164214657 0.74102983979571 127.600 > 85 90 Te 0.70027677068536 0.82838164214657 0.74102983979571 127.600 > 85 91 Te 0.29972322931464 0.32838164214658 0.09230349353763 127.600 > 91 92 Te 0.79972322931464 0.32838164214658 0.09230349353763 127.600 > 91 93 Te 0.29972322931464 0.32838164214658 0.42563682687096 127.600 > 91 94 Te 0.79972322931464 0.32838164214658 0.42563682687096 127.600 > 91 95 Te 0.29972322931464 0.32838164214658 0.75897016020429 127.600 > 91 96 Te 0.79972322931464 0.32838164214658 0.75897016020429 127.600 > 91 97 Cl 0.03125158869608 0.23253139792339 0.15676955881394 35.453 > 97 98 Cl 0.53125158869608 0.23253139792339 0.15676955881394 35.453 > 97 99 Cl 0.03125158869608 0.23253139792339 0.49010289214727 35.453 > 97 100 Cl 0.53125158869608 0.23253139792339 0.49010289214727 35.453 > 97 101 Cl 0.03125158869608 0.23253139792339 0.82343622548061 35.453 > 97 102 Cl 0.53125158869608 0.23253139792339 0.82343622548061 35.453 > 97 103 Cl 0.46874841130392 0.73253139792339 0.00989710785273 35.453 > 103 104 Cl 0.96874841130392 0.73253139792339 0.00989710785273 35.453 > 103 105 Cl 0.46874841130392 0.73253139792339 0.34323044118606 35.453 > 103 106 Cl 0.96874841130392 0.73253139792339 0.34323044118606 35.453 > 103 107 Cl 0.46874841130392 0.73253139792339 0.67656377451939 35.453 > 103 108 Cl 0.96874841130392 0.73253139792339 0.67656377451939 35.453 > 103 109 Cl 0.46874841130392 0.76746860207661 0.17656377451939 35.453 > 109 110 Cl 0.96874841130392 0.76746860207661 0.17656377451939 35.453 > 109 111 Cl 0.46874841130392 0.76746860207661 0.50989710785273 35.453 > 109 112 Cl 0.96874841130392 0.76746860207661 0.50989710785273 35.453 > 109 113 Cl 0.46874841130392 0.76746860207661 0.84323044118606 35.453 > 109 114 Cl 0.96874841130392 0.76746860207661 0.84323044118606 35.453 > 109 115 Cl 0.03125158869608 0.26746860207661 0.32343622548061 35.453 > 115 116 Cl 0.53125158869608 0.26746860207661 0.32343622548061 35.453 > 115 117 Cl 0.03125158869608 0.26746860207661 0.65676955881394 35.453 > 115 118 Cl 0.53125158869608 0.26746860207661 0.65676955881394 35.453 > 115 119 Cl 0.03125158869608 0.26746860207661 0.99010289214727 35.453 > 115 120 Cl 0.53125158869608 0.26746860207661 0.99010289214727 35.453 > 115 121 Cl 0.19596289621454 0.39639113451424 0.25581090992267 35.453 > 121 122 Cl 0.69596289621454 0.39639113451424 0.25581090992267 35.453 > 121 123 Cl 0.19596289621454 0.39639113451424 0.58914424325600 35.453 > 121 124 Cl 0.69596289621454 0.39639113451424 0.58914424325600 35.453 > 121 125 Cl 0.19596289621454 0.39639113451424 0.92247757658933 35.453 > 121 126 Cl 0.69596289621454 0.39639113451424 0.92247757658933 35.453 > 121 127 Cl 0.30403710378546 0.89639113451424 0.24418909007733 35.453 > 127 128 Cl 0.80403710378546 0.89639113451424 0.24418909007733 35.453 > 127 129 Cl 0.30403710378546 0.89639113451424 0.57752242341067 35.453 > 127 130 Cl 0.80403710378546 0.89639113451424 0.57752242341067 35.453 > 127 131 Cl 0.30403710378546 0.89639113451424 0.91085575674400 35.453 > 127 132 Cl 0.80403710378546 0.89639113451424 0.91085575674400 35.453 > 127 133 Cl 0.30403710378546 0.60360886548576 0.07752242341067 35.453 > 133 134 Cl 0.80403710378546 0.60360886548576 0.07752242341067 35.453 > 133 135 Cl 0.30403710378546 0.60360886548576 0.41085575674400 35.453 > 133 136 Cl 0.80403710378546 0.60360886548576 0.41085575674400 35.453 > 133 137 Cl 0.30403710378546 0.60360886548576 0.74418909007733 35.453 > 133 138 Cl 0.80403710378546 0.60360886548576 0.74418909007733 35.453 > 133 139 Cl 0.19596289621454 0.10360886548576 0.08914424325600 35.453 > 139 140 Cl 0.69596289621454 0.10360886548576 0.08914424325600 35.453 > 139 141 Cl 0.19596289621454 0.10360886548576 0.42247757658933 35.453 > 139 142 Cl 0.69596289621454 0.10360886548576 0.42247757658933 35.453 > 139 143 Cl 0.19596289621454 0.10360886548576 0.75581090992267 35.453 > 139 144 Cl 0.69596289621454 0.10360886548576 0.75581090992267 35.453 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0144683 0.0000000 -0.1546521 0.0000000 7.5899869 0.0000000 -0.1546548 0.0000000 7.5724065 -------------------------- Born effective charges -------------------------- 1 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 2 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 3 In 2.6618300 0.4780400 -0.2912664 -0.7087666 2.7263098 -0.2001461 -0.4125601 0.6180313 2.7068348 4 In 2.6618300 -0.4780400 -0.2912664 0.7087666 2.7263098 0.2001461 -0.4125601 -0.6180313 2.7068348 5 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 6 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 7 In 1.6652162 0.1022063 -0.0528958 0.0655084 3.0785163 -0.1946955 0.5396569 0.2251766 3.6743063 8 In 1.6652162 -0.1022063 -0.0528958 -0.0655084 3.0785163 0.1946955 0.5396569 -0.2251766 3.6743063 9 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 10 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 11 Te -0.6481737 0.3826814 -0.0875411 0.6367764 -0.9170556 0.2868945 -0.0471929 0.2079921 -1.9143222 12 Te -0.6481737 -0.3826814 -0.0875411 -0.6367764 -0.9170556 -0.2868945 -0.0471929 -0.2079921 -1.9143222 13 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 14 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 15 Te -0.3193107 -0.0173617 0.0797588 0.2740765 -1.5076366 -0.2053754 -0.1513981 0.0163500 -1.8292388 16 Te -0.3193107 0.0173617 0.0797588 -0.2740765 -1.5076366 0.2053754 -0.1513981 -0.0163500 -1.8292388 17 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 18 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 19 Cl -1.1918191 0.2289544 0.0408804 0.2343417 -1.4244534 -0.1414125 -0.1083736 -0.1403729 -1.4717134 20 Cl -1.1918191 -0.2289544 0.0408804 -0.2343417 -1.4244534 0.1414125 -0.1083736 0.1403729 -1.4717134 21 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 22 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 23 Cl -2.1677427 0.9635175 0.3110641 0.7809547 -1.9556806 -0.2843197 0.1798677 -0.1540752 -1.1658666 24 Cl -2.1677427 -0.9635175 0.3110641 -0.7809547 -1.9556806 0.2843197 0.1798677 0.1540752 -1.1658666 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 7 4 7 ] 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: 0.46, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 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 0.751 ( 0.000 0.000 0.000) 0.000 0.776 ( 0.000 0.000 0.000) 0.000 0.832 ( 0.000 0.000 0.000) 0.000 0.949 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( 7.613 0.000 9.288) 12.010 0.276 ( 13.922 0.000 0.128) 13.923 0.393 ( 18.748 0.000 -6.086) 19.711 0.756 ( 0.492 0.000 -1.960) 2.021 0.786 ( 0.641 0.000 2.010) 2.110 0.849 ( 1.411 0.000 0.005) 1.411 0.942 ( -0.568 0.000 -0.423) 0.708 0.995 ( 2.178 0.000 0.593) 2.258 1.070 ( 3.110 0.000 1.214) 3.338 1.200 ( -0.190 0.000 -0.818) 0.840 1.202 ( 2.650 0.000 -0.256) 2.663 1.272 ( -0.962 0.000 2.462) 2.643 1.274 ( 0.048 0.000 0.013) 0.050 1.343 ( 2.382 0.000 0.913) 2.551 1.509 ( 0.417 0.000 -0.043) 0.419 1.649 ( -0.690 0.000 -1.138) 1.331 1.704 ( -3.117 0.000 -0.113) 3.119 1.762 ( -2.658 0.000 -3.367) 4.289 1.823 ( 0.585 0.000 -1.780) 1.874 1.837 ( 2.331 0.000 0.578) 2.401 1.848 ( -0.697 0.000 11.939) 11.959 1.869 ( -1.160 0.000 -0.047) 1.160 2.030 ( 2.464 0.000 -0.048) 2.464 2.054 ( -1.038 0.000 -0.918) 1.386 2.058 ( -1.495 0.000 22.113) 22.164 2.165 ( -1.830 0.000 -5.284) 5.592 2.206 ( -0.006 0.000 4.843) 4.843 2.226 ( -0.212 0.000 0.891) 0.916 2.332 ( 0.120 0.000 0.839) 0.847 2.508 ( 0.078 0.000 -0.147) 0.166 2.603 ( -0.077 0.000 0.315) 0.324 2.661 ( -0.893 0.000 -0.024) 0.894 2.732 ( -0.486 0.000 -1.551) 1.626 2.801 ( 0.138 0.000 -8.520) 8.521 2.850 ( -0.222 0.000 0.800) 0.830 2.863 ( 0.880 0.000 0.656) 1.098 3.048 ( 0.838 0.000 -0.957) 1.272 3.100 ( -2.545 0.000 1.306) 2.860 3.454 ( -0.517 0.000 8.388) 8.404 3.485 ( -0.183 0.000 0.273) 0.328 3.509 ( -2.289 0.000 1.665) 2.830 3.535 ( 0.215 0.000 1.047) 1.069 3.586 ( 1.204 0.000 -1.159) 1.671 3.685 ( 0.355 0.000 -0.127) 0.377 3.854 ( 0.038 0.000 -0.116) 0.122 3.872 ( -0.755 0.000 0.388) 0.849 3.985 ( 0.209 0.000 0.128) 0.245 4.080 ( -0.682 0.000 0.019) 0.683 4.123 ( -0.985 0.000 -0.324) 1.037 4.179 ( -0.680 0.000 -0.821) 1.066 4.240 ( 0.029 0.000 0.382) 0.383 4.280 ( -0.589 0.000 -0.022) 0.590 4.644 ( -0.207 0.000 0.013) 0.207 4.689 ( 0.745 0.000 0.173) 0.765 4.795 ( -0.196 0.000 0.060) 0.205 4.846 ( 0.502 0.000 6.713) 6.732 5.206 ( -0.053 0.000 -0.443) 0.446 5.240 ( -0.371 0.000 -0.796) 0.879 5.348 ( 0.011 0.000 -0.200) 0.200 5.467 ( 0.322 0.000 0.171) 0.364 5.570 ( -0.254 0.000 0.401) 0.474 5.649 ( -1.781 0.000 0.219) 1.794 5.727 ( -0.638 0.000 0.686) 0.937 5.757 ( 0.778 0.000 -4.067) 4.141 8.287 ( 0.138 0.000 0.092) 0.165 8.317 ( -0.757 0.000 -0.129) 0.767 8.369 ( -2.189 0.000 0.230) 2.201 8.380 ( -1.711 0.000 -1.975) 2.613 8.521 ( 2.463 0.000 -0.925) 2.631 8.542 ( 3.115 0.000 -0.482) 3.152 8.631 ( 2.343 0.000 0.891) 2.507 9.066 ( 0.572 0.000 -12.621) 12.634 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 8.547 0.000 6.497) 10.736 0.527 ( 11.687 0.000 0.263) 11.690 0.670 ( 9.731 0.000 -3.549) 10.358 0.762 ( 0.468 0.000 -2.199) 2.248 0.794 ( -0.308 0.000 1.870) 1.895 0.869 ( 0.265 0.000 -0.154) 0.307 0.936 ( 0.302 0.000 -0.925) 0.974 1.021 ( 0.659 0.000 3.093) 3.163 1.147 ( 2.893 0.000 -0.044) 2.894 1.190 ( 0.110 0.000 -4.073) 4.075 1.245 ( 1.707 0.000 -0.060) 1.708 1.281 ( 0.513 0.000 2.505) 2.557 1.294 ( 3.022 0.000 1.526) 3.386 1.402 ( 3.654 0.000 0.238) 3.661 1.510 ( -0.604 0.000 -1.155) 1.304 1.623 ( -2.070 0.000 0.072) 2.071 1.644 ( -2.883 0.000 0.044) 2.883 1.705 ( -2.352 0.000 -5.350) 5.844 1.827 ( -0.089 0.000 -0.451) 0.460 1.841 ( -1.109 0.000 9.069) 9.136 1.846 ( -0.506 0.000 0.761) 0.914 1.884 ( 1.556 0.000 0.214) 1.571 2.017 ( -1.757 0.000 -0.718) 1.898 2.070 ( 0.726 0.000 8.561) 8.591 2.093 ( 3.108 0.000 -0.869) 3.227 2.122 ( -1.772 0.000 -1.759) 2.497 2.186 ( -2.734 0.000 0.227) 2.743 2.217 ( -0.448 0.000 2.858) 2.893 2.344 ( 1.125 0.000 0.883) 1.430 2.503 ( -0.753 0.000 -0.600) 0.963 2.599 ( -0.065 0.000 0.472) 0.477 2.658 ( 0.442 0.000 0.413) 0.605 2.743 ( 1.768 0.000 -0.937) 2.001 2.792 ( -0.035 0.000 -6.119) 6.119 2.850 ( 0.301 0.000 -0.217) 0.371 2.881 ( 0.783 0.000 0.744) 1.080 3.036 ( -4.012 0.000 3.424) 5.275 3.067 ( 1.165 0.000 -1.261) 1.717 3.455 ( -0.004 0.000 2.211) 2.211 3.461 ( -2.717 0.000 1.700) 3.205 3.480 ( -0.287 0.000 -0.264) 0.390 3.540 ( 0.213 0.000 0.245) 0.325 3.602 ( 0.560 0.000 -0.898) 1.058 3.692 ( 0.377 0.000 -0.194) 0.424 3.853 ( -1.166 0.000 0.464) 1.255 3.856 ( 0.204 0.000 -0.129) 0.242 3.991 ( 0.330 0.000 0.139) 0.358 4.062 ( -1.087 0.000 -0.096) 1.092 4.095 ( -1.666 0.000 -0.435) 1.722 4.159 ( -1.222 0.000 -0.887) 1.510 4.240 ( -0.111 0.000 0.477) 0.490 4.266 ( -0.756 0.000 -0.094) 0.762 4.648 ( 0.604 0.000 -0.013) 0.604 4.697 ( -0.071 0.000 0.245) 0.255 4.792 ( -0.096 0.000 0.038) 0.103 4.867 ( 0.935 0.000 2.132) 2.328 5.204 ( -0.000 0.000 -0.599) 0.599 5.232 ( -0.419 0.000 -0.060) 0.423 5.348 ( 0.023 0.000 -0.223) 0.224 5.475 ( 0.510 0.000 0.223) 0.557 5.563 ( -0.572 0.000 0.672) 0.882 5.611 ( -1.885 0.000 0.092) 1.887 5.717 ( -0.501 0.000 0.543) 0.739 5.766 ( 0.533 0.000 -2.180) 2.244 8.289 ( 0.067 0.000 0.284) 0.292 8.302 ( -0.676 0.000 -0.010) 0.676 8.330 ( -1.752 0.000 -0.011) 1.752 8.353 ( -0.838 0.000 -0.860) 1.201 8.569 ( 2.388 0.000 -0.685) 2.484 8.599 ( 2.513 0.000 -0.259) 2.526 8.681 ( 2.327 0.000 0.822) 2.468 9.063 ( 0.169 0.000 -4.805) 4.808 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 4.184 0.000 2.610) 4.931 0.699 ( 5.012 0.000 0.114) 5.013 0.766 ( 1.629 0.000 -0.566) 1.724 0.775 ( 0.217 0.000 -0.147) 0.262 0.780 ( -0.023 0.000 -0.080) 0.084 0.861 ( -0.566 0.000 -0.621) 0.840 0.950 ( 0.822 0.000 -0.418) 0.922 1.041 ( 1.076 0.000 3.113) 3.294 1.120 ( -2.620 0.000 -2.921) 3.924 1.232 ( 1.946 0.000 -1.363) 2.376 1.277 ( 1.190 0.000 -0.318) 1.232 1.292 ( 0.180 0.000 1.878) 1.886 1.362 ( 3.207 0.000 1.615) 3.590 1.454 ( -1.316 0.000 0.018) 1.316 1.497 ( 2.415 0.000 -2.986) 3.841 1.574 ( -2.689 0.000 1.626) 3.142 1.601 ( -1.348 0.000 0.122) 1.353 1.670 ( -0.784 0.000 -2.511) 2.631 1.823 ( -0.178 0.000 0.179) 0.252 1.834 ( -0.347 0.000 3.018) 3.038 1.844 ( 0.078 0.000 0.420) 0.427 1.902 ( 0.331 0.000 0.122) 0.353 1.989 ( -0.777 0.000 -0.477) 0.912 2.091 ( 0.391 0.000 0.128) 0.411 2.105 ( 0.031 0.000 5.806) 5.806 2.130 ( -2.127 0.000 -3.650) 4.224 2.138 ( 1.379 0.000 -0.378) 1.430 2.211 ( -0.379 0.000 1.165) 1.225 2.372 ( 1.226 0.000 0.487) 1.320 2.481 ( -1.061 0.000 -0.550) 1.195 2.605 ( 0.400 0.000 0.226) 0.459 2.668 ( 0.337 0.000 0.322) 0.466 2.779 ( 1.148 0.000 2.910) 3.128 2.789 ( 0.278 0.000 -5.491) 5.498 2.864 ( 1.156 0.000 -1.957) 2.273 2.893 ( 0.320 0.000 0.346) 0.472 2.968 ( -2.887 0.000 3.230) 4.332 3.087 ( 0.829 0.000 -0.643) 1.049 3.417 ( -1.575 0.000 0.800) 1.767 3.460 ( 0.223 0.000 0.648) 0.685 3.474 ( -0.267 0.000 -0.439) 0.514 3.544 ( 0.132 0.000 0.028) 0.135 3.608 ( 0.127 0.000 -0.350) 0.372 3.697 ( 0.135 0.000 -0.091) 0.163 3.833 ( -0.719 0.000 0.201) 0.747 3.860 ( 0.173 0.000 -0.045) 0.178 3.997 ( 0.183 0.000 0.051) 0.190 4.044 ( -0.592 0.000 -0.102) 0.601 4.067 ( -0.913 0.000 -0.200) 0.934 4.138 ( -0.673 0.000 -0.334) 0.751 4.238 ( -0.166 0.000 0.264) 0.312 4.256 ( -0.247 0.000 -0.089) 0.262 4.665 ( 1.134 0.000 -0.128) 1.141 4.687 ( -0.949 0.000 0.233) 0.977 4.792 ( -0.017 0.000 0.004) 0.017 4.882 ( 0.411 0.000 0.513) 0.658 5.204 ( 0.035 0.000 -0.285) 0.287 5.226 ( -0.160 0.000 0.032) 0.163 5.348 ( 0.018 0.000 -0.092) 0.094 5.485 ( 0.331 0.000 0.102) 0.346 5.550 ( -0.622 0.000 0.377) 0.727 5.587 ( -0.511 0.000 -0.036) 0.513 5.710 ( -0.177 0.000 0.190) 0.260 5.771 ( 0.188 0.000 -0.728) 0.752 8.290 ( -0.018 0.000 0.191) 0.192 8.294 ( -0.173 0.000 0.054) 0.181 8.305 ( -0.712 0.000 -0.065) 0.715 8.344 ( -0.146 0.000 -0.340) 0.370 8.603 ( 0.977 0.000 -0.242) 1.006 8.632 ( 0.909 0.000 -0.083) 0.913 8.714 ( 0.915 0.000 0.317) 0.968 9.062 ( 0.073 0.000 -1.356) 1.358 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 0.000 13.957 0.000) 13.957 0.295 ( 0.000 16.100 0.000) 16.100 0.399 ( 0.000 20.779 0.000) 20.779 0.683 ( 0.000 -8.861 0.000) 8.861 0.765 ( 0.000 -7.739 0.000) 7.739 0.766 ( 0.000 1.103 0.000) 1.103 0.966 ( 0.000 0.495 0.000) 0.495 0.969 ( 0.000 0.380 0.000) 0.380 1.045 ( 0.000 -1.809 0.000) 1.809 1.162 ( 0.000 2.816 0.000) 2.816 1.163 ( 0.000 -9.136 0.000) 9.136 1.288 ( 0.000 5.786 0.000) 5.786 1.310 ( 0.000 -1.630 0.000) 1.630 1.369 ( 0.000 6.773 0.000) 6.773 1.471 ( 0.000 -2.696 0.000) 2.696 1.604 ( 0.000 -4.950 0.000) 4.950 1.745 ( 0.000 -0.289 0.000) 0.289 1.760 ( 0.000 -2.297 0.000) 2.297 1.785 ( 0.000 0.721 0.000) 0.721 1.821 ( 0.000 -1.068 0.000) 1.068 1.871 ( 0.000 -0.470 0.000) 0.470 1.880 ( 0.000 -3.246 0.000) 3.246 1.913 ( 0.000 4.501 0.000) 4.501 2.028 ( 0.000 1.941 0.000) 1.941 2.092 ( 0.000 1.299 0.000) 1.299 2.173 ( 0.000 -1.039 0.000) 1.039 2.185 ( 0.000 -1.237 0.000) 1.237 2.202 ( 0.000 -1.747 0.000) 1.747 2.363 ( 0.000 3.053 0.000) 3.053 2.489 ( 0.000 -3.054 0.000) 3.054 2.693 ( 0.000 1.680 0.000) 1.680 2.725 ( 0.000 0.624 0.000) 0.624 2.728 ( 0.000 0.146 0.000) 0.146 2.747 ( 0.000 0.101 0.000) 0.101 2.864 ( 0.000 1.226 0.000) 1.226 2.939 ( 0.000 -1.990 0.000) 1.990 3.003 ( 0.000 0.633 0.000) 0.633 3.035 ( 0.000 -0.586 0.000) 0.586 3.443 ( 0.000 0.782 0.000) 0.782 3.479 ( 0.000 -0.784 0.000) 0.784 3.533 ( 0.000 0.123 0.000) 0.123 3.537 ( 0.000 -0.081 0.000) 0.081 3.585 ( 0.000 1.843 0.000) 1.843 3.665 ( 0.000 -1.850 0.000) 1.850 3.875 ( 0.000 2.021 0.000) 2.021 3.890 ( 0.000 0.993 0.000) 0.993 3.983 ( 0.000 0.148 0.000) 0.148 4.057 ( 0.000 -2.859 0.000) 2.859 4.144 ( 0.000 0.994 0.000) 0.994 4.180 ( 0.000 -0.740 0.000) 0.740 4.246 ( 0.000 0.722 0.000) 0.722 4.280 ( 0.000 -0.721 0.000) 0.721 4.655 ( 0.000 0.562 0.000) 0.562 4.676 ( 0.000 -0.410 0.000) 0.410 4.814 ( 0.000 0.661 0.000) 0.661 4.845 ( 0.000 -0.724 0.000) 0.724 5.244 ( 0.000 0.745 0.000) 0.745 5.299 ( 0.000 -2.488 0.000) 2.488 5.415 ( 0.000 3.771 0.000) 3.771 5.541 ( 0.000 -2.904 0.000) 2.904 5.643 ( 0.000 0.724 0.000) 0.724 5.668 ( 0.000 -0.532 0.000) 0.532 5.683 ( 0.000 1.461 0.000) 1.461 5.729 ( 0.000 -0.755 0.000) 0.755 8.289 ( 0.000 0.433 0.000) 0.433 8.309 ( 0.000 -0.443 0.000) 0.443 8.397 ( 0.000 0.023 0.000) 0.023 8.397 ( 0.000 0.018 0.000) 0.018 8.515 ( 0.000 1.342 0.000) 1.342 8.585 ( 0.000 -1.929 0.000) 1.929 8.726 ( 0.000 0.698 0.000) 0.698 8.743 ( 0.000 -0.184 0.000) 0.184 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 4.843 8.234 -1.701) 9.703 0.301 ( 2.940 13.362 6.978) 15.358 0.588 ( 12.350 12.112 -2.759) 17.517 0.681 ( -0.053 -8.202 -1.659) 8.369 0.760 ( 0.136 -6.472 2.969) 7.122 0.801 ( 1.795 -0.491 0.323) 1.889 0.963 ( 0.087 1.304 0.077) 1.309 0.996 ( 1.608 0.114 0.837) 1.817 1.069 ( 3.078 -0.721 1.242) 3.396 1.155 ( 0.829 -4.264 -2.777) 5.155 1.207 ( 2.776 0.097 0.075) 2.779 1.277 ( -0.178 3.539 -2.121) 4.130 1.324 ( 0.912 1.174 1.470) 2.091 1.379 ( 0.979 4.772 1.001) 4.973 1.478 ( 0.405 -2.997 -0.490) 3.064 1.594 ( -1.180 -5.357 -1.479) 5.681 1.719 ( -1.212 1.343 0.727) 1.950 1.757 ( -1.545 0.059 -0.884) 1.781 1.796 ( 0.462 -1.353 3.329) 3.623 1.813 ( 0.985 -1.985 -0.901) 2.392 1.857 ( -0.528 0.158 -0.397) 0.679 1.883 ( -0.342 0.845 -0.197) 0.933 1.982 ( 2.983 -2.901 8.600) 9.553 2.043 ( 0.728 -0.935 0.301) 1.223 2.082 ( -0.822 2.603 2.681) 3.826 2.158 ( -0.980 -0.408 0.087) 1.065 2.194 ( 0.428 -0.981 1.410) 1.770 2.212 ( 0.412 -1.123 -0.930) 1.515 2.361 ( -0.106 2.799 0.879) 2.936 2.477 ( -0.754 -3.018 0.503) 3.151 2.647 ( -2.817 2.770 1.044) 4.087 2.670 ( -1.647 0.863 0.018) 1.859 2.735 ( 0.612 0.514 -1.996) 2.150 2.779 ( 0.796 -1.333 -5.265) 5.489 2.863 ( -0.154 1.496 1.103) 1.865 2.913 ( -1.043 1.968 0.501) 2.283 3.038 ( 0.627 -1.451 -0.207) 1.594 3.052 ( 0.760 -2.462 -0.000) 2.577 3.452 ( 0.276 0.245 3.082) 3.104 3.476 ( -0.398 -0.724 0.276) 0.871 3.519 ( -1.541 0.783 1.227) 2.120 3.534 ( 0.059 -0.126 0.513) 0.532 3.597 ( 0.957 1.269 -0.847) 1.801 3.668 ( 0.310 -1.804 -0.152) 1.837 3.873 ( -0.216 1.774 0.044) 1.788 3.883 ( -0.664 1.057 0.297) 1.284 3.985 ( 0.170 0.075 -0.047) 0.192 4.051 ( -0.597 -2.710 -0.222) 2.784 4.136 ( -0.796 1.149 -0.225) 1.415 4.175 ( -0.621 -0.663 -0.479) 1.027 4.246 ( -0.057 0.609 0.085) 0.618 4.275 ( -0.480 -0.616 -0.126) 0.791 4.652 ( -0.073 0.809 0.026) 0.812 4.684 ( 0.547 -0.611 0.115) 0.828 4.818 ( 0.072 1.170 -0.834) 1.439 4.844 ( 0.244 -0.354 3.059) 3.089 5.238 ( -0.602 0.808 0.328) 1.059 5.269 ( -2.520 0.333 0.576) 2.606 5.390 ( -1.718 5.108 -0.023) 5.390 5.508 ( -2.661 2.582 1.381) 3.957 5.553 ( -0.691 -1.203 -0.871) 1.638 5.620 ( -2.922 -2.068 0.135) 3.582 5.738 ( 0.546 0.578 0.586) 0.988 5.755 ( 1.424 -0.261 -2.107) 2.556 8.291 ( 0.154 0.425 0.025) 0.452 8.311 ( -0.138 -0.538 -0.055) 0.559 8.370 ( -2.016 0.158 -0.098) 2.025 8.380 ( -1.718 -0.175 -0.693) 1.861 8.511 ( 0.928 0.888 0.364) 1.335 8.571 ( 0.235 -0.708 0.618) 0.968 8.685 ( 2.748 5.887 -0.848) 6.552 8.933 ( 6.505 -9.257 -6.329) 12.964 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 5.763 4.346 4.054) 8.279 0.422 ( 8.013 -0.491 1.276) 8.129 0.658 ( -1.346 -10.277 -2.403) 10.640 0.749 ( 1.126 -4.514 4.226) 6.285 0.793 ( 4.002 3.638 -1.429) 5.594 0.828 ( 1.242 -0.281 0.363) 1.324 0.973 ( 1.431 3.845 -0.705) 4.163 1.035 ( 2.493 1.015 2.103) 3.416 1.145 ( 3.160 -0.673 -0.556) 3.279 1.178 ( 2.037 -2.152 -3.353) 4.475 1.251 ( 1.505 1.734 -0.904) 2.467 1.274 ( -0.194 1.393 0.120) 1.412 1.353 ( 1.663 2.804 0.309) 3.275 1.412 ( 2.392 1.202 0.684) 2.763 1.473 ( -0.966 -2.821 -1.704) 3.434 1.571 ( -0.388 -4.462 -0.255) 4.487 1.694 ( -1.535 3.376 -0.774) 3.788 1.734 ( -0.507 3.457 -1.689) 3.881 1.805 ( 0.016 -2.266 4.474) 5.015 1.832 ( 0.650 -0.352 -0.988) 1.234 1.848 ( -0.193 0.281 1.101) 1.153 1.879 ( -0.023 -0.341 -0.251) 0.424 2.014 ( -0.544 -1.876 2.462) 3.143 2.047 ( -0.238 -3.148 2.812) 4.228 2.072 ( -0.211 1.416 2.842) 3.182 2.153 ( 0.328 0.488 3.508) 3.557 2.191 ( -1.108 0.508 -2.010) 2.351 2.203 ( -0.800 -0.492 -0.098) 0.945 2.369 ( 0.855 2.374 0.817) 2.653 2.470 ( -0.136 -3.012 -0.091) 3.017 2.612 ( -0.990 1.609 0.157) 1.896 2.653 ( -0.206 -0.441 0.078) 0.493 2.758 ( 1.990 0.855 -1.854) 2.851 2.782 ( 0.542 -0.820 -4.842) 4.941 2.860 ( -0.178 1.301 1.050) 1.681 2.904 ( 0.056 1.359 0.821) 1.589 3.022 ( -2.573 -0.835 1.924) 3.320 3.058 ( 0.820 -1.040 -1.262) 1.829 3.455 ( -0.139 -0.020 0.926) 0.937 3.457 ( -1.807 -0.236 0.746) 1.969 3.494 ( -0.929 1.217 1.039) 1.850 3.534 ( -0.087 -0.694 0.474) 0.845 3.612 ( 0.576 1.073 -0.775) 1.443 3.674 ( 0.315 -1.804 -0.221) 1.845 3.867 ( -0.903 1.270 0.477) 1.630 3.869 ( -0.190 1.206 -0.128) 1.227 3.989 ( 0.249 -0.117 -0.042) 0.279 4.035 ( -0.928 -2.285 -0.304) 2.485 4.113 ( -1.460 1.415 -0.315) 2.057 4.154 ( -1.290 -0.595 -0.681) 1.575 4.244 ( -0.137 0.415 0.279) 0.519 4.263 ( -0.626 -0.363 -0.101) 0.731 4.656 ( 0.466 0.850 0.017) 0.969 4.690 ( -0.001 -0.708 0.197) 0.735 4.814 ( -0.154 1.889 -0.070) 1.896 4.861 ( 0.870 -0.660 1.444) 1.811 5.223 ( -0.799 1.188 0.073) 1.434 5.236 ( -0.899 0.394 0.237) 1.010 5.371 ( -0.467 3.057 -0.301) 3.107 5.490 ( -0.078 1.245 0.705) 1.433 5.549 ( -0.116 -2.617 -0.357) 2.644 5.563 ( -2.625 -2.918 0.233) 3.932 5.743 ( -0.088 1.746 0.623) 1.856 5.768 ( 0.466 0.128 -1.603) 1.674 8.295 ( 0.185 0.459 0.184) 0.528 8.303 ( -0.547 0.032 0.043) 0.549 8.333 ( -1.612 0.407 -0.113) 1.666 8.353 ( -0.830 -0.187 -0.659) 1.076 8.549 ( 2.338 -0.705 -0.055) 2.442 8.590 ( 1.077 -1.475 0.734) 1.968 8.744 ( 2.844 6.059 -0.715) 6.731 8.997 ( 1.801 -6.462 -3.664) 7.644 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 3.139 0.760 2.422) 4.036 0.554 ( 4.855 -5.832 0.236) 7.592 0.625 ( -1.695 -11.867 -1.576) 12.090 0.752 ( -0.482 -3.769 2.275) 4.429 0.822 ( 0.460 1.425 0.474) 1.570 0.843 ( -0.212 -0.694 -1.020) 1.252 1.018 ( 2.343 5.013 0.252) 5.539 1.083 ( 1.607 2.254 1.828) 3.317 1.147 ( -1.247 2.050 -3.073) 3.898 1.232 ( 2.496 -2.010 -0.919) 3.333 1.264 ( -0.675 0.176 0.280) 0.751 1.270 ( 0.339 -0.284 0.033) 0.443 1.374 ( 0.649 0.362 0.245) 0.783 1.414 ( -1.769 -2.767 0.052) 3.284 1.499 ( 3.294 0.831 -1.634) 3.770 1.568 ( -0.723 -1.291 0.927) 1.746 1.671 ( -0.497 5.418 -0.878) 5.511 1.726 ( -0.252 5.664 -0.597) 5.701 1.809 ( 0.013 -1.733 1.776) 2.482 1.833 ( -0.228 0.809 -0.060) 0.843 1.852 ( 0.265 0.998 0.505) 1.149 1.881 ( 0.137 -2.480 -0.158) 2.489 1.994 ( -1.023 -0.026 1.358) 1.700 2.034 ( -0.555 -3.900 -0.567) 3.980 2.087 ( 0.626 -1.092 2.610) 2.898 2.151 ( -1.098 0.755 0.446) 1.405 2.175 ( 0.107 -0.401 2.114) 2.155 2.193 ( -0.094 1.055 -2.331) 2.560 2.390 ( 0.843 1.797 0.372) 2.019 2.465 ( -0.326 -1.793 -0.306) 1.848 2.605 ( 0.026 0.699 0.088) 0.705 2.654 ( 0.087 -1.381 0.101) 1.387 2.791 ( 0.647 0.547 0.377) 0.928 2.792 ( 1.123 0.313 -3.163) 3.371 2.861 ( 0.128 0.543 0.038) 0.559 2.919 ( 1.491 0.284 -0.516) 1.603 2.967 ( -2.955 1.688 2.341) 4.131 3.073 ( 0.620 -1.648 -0.589) 1.857 3.422 ( -1.365 0.522 0.487) 1.541 3.453 ( -0.113 -0.797 -0.074) 0.809 3.485 ( -0.223 1.141 0.378) 1.222 3.533 ( -0.039 -1.112 0.199) 1.130 3.618 ( 0.178 1.109 -0.328) 1.170 3.678 ( 0.077 -1.836 -0.097) 1.840 3.852 ( -0.528 1.636 0.133) 1.724 3.868 ( 0.002 0.663 -0.008) 0.663 3.993 ( 0.138 -0.314 -0.022) 0.343 4.020 ( -0.471 -1.795 -0.157) 1.862 4.088 ( -0.851 1.540 -0.158) 1.767 4.132 ( -0.727 -0.692 -0.286) 1.044 4.241 ( -0.140 0.385 0.177) 0.446 4.254 ( -0.211 -0.188 -0.054) 0.287 4.669 ( 0.808 0.369 -0.075) 0.891 4.684 ( -0.652 -0.303 0.176) 0.740 4.813 ( -0.023 2.079 0.014) 2.079 4.875 ( 0.365 -0.886 0.372) 1.028 5.213 ( -0.208 0.790 -0.099) 0.823 5.226 ( -0.244 0.006 0.135) 0.279 5.366 ( -0.084 2.225 -0.135) 2.231 5.494 ( 0.323 0.854 0.544) 1.063 5.524 ( -1.206 -4.118 -0.317) 4.303 5.548 ( -0.023 -1.716 0.044) 1.716 5.740 ( -0.100 2.181 0.214) 2.194 5.773 ( 0.148 0.057 -0.562) 0.584 8.295 ( -0.220 0.235 0.111) 0.341 8.299 ( 0.194 0.227 0.039) 0.301 8.310 ( -0.729 0.958 -0.048) 1.205 8.344 ( -0.147 -0.152 -0.275) 0.347 8.587 ( 1.422 -1.293 -0.339) 1.952 8.603 ( 0.080 -1.918 0.609) 2.014 8.782 ( 1.050 6.060 -0.268) 6.156 9.014 ( 0.447 -5.019 -1.140) 5.167 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 -12.061 0.000) 12.061 0.485 ( 0.000 12.061 0.000) 12.061 0.555 ( 0.000 -12.250 0.000) 12.250 0.555 ( 0.000 12.250 0.000) 12.250 0.720 ( 0.000 -8.878 0.000) 8.878 0.720 ( 0.000 8.878 0.000) 8.878 0.964 ( 0.000 -0.506 0.000) 0.506 0.964 ( 0.000 0.506 0.000) 0.506 1.038 ( 0.000 -2.364 0.000) 2.364 1.038 ( 0.000 2.364 0.000) 2.364 1.246 ( 0.000 -5.092 0.000) 5.092 1.246 ( 0.000 5.092 0.000) 5.092 1.395 ( 0.000 -5.728 0.000) 5.728 1.395 ( 0.000 5.728 0.000) 5.728 1.494 ( 0.000 -7.013 0.000) 7.013 1.494 ( 0.000 7.013 0.000) 7.013 1.740 ( 0.000 -0.073 0.000) 0.073 1.740 ( 0.000 0.073 0.000) 0.073 1.800 ( 0.000 -1.114 0.000) 1.114 1.800 ( 0.000 1.114 0.000) 1.114 1.857 ( 0.000 -0.437 0.000) 0.437 1.857 ( 0.000 0.437 0.000) 0.437 1.999 ( 0.000 -4.486 0.000) 4.486 1.999 ( 0.000 4.486 0.000) 4.486 2.135 ( 0.000 -3.569 0.000) 3.569 2.135 ( 0.000 3.569 0.000) 3.569 2.181 ( 0.000 -1.089 0.000) 1.089 2.181 ( 0.000 1.089 0.000) 1.089 2.426 ( 0.000 -3.799 0.000) 3.799 2.426 ( 0.000 3.799 0.000) 3.799 2.720 ( 0.000 -1.083 0.000) 1.083 2.720 ( 0.000 1.083 0.000) 1.083 2.740 ( 0.000 -0.854 0.000) 0.854 2.740 ( 0.000 0.854 0.000) 0.854 2.897 ( 0.000 -2.449 0.000) 2.449 2.897 ( 0.000 2.449 0.000) 2.449 3.020 ( 0.000 -1.058 0.000) 1.058 3.020 ( 0.000 1.058 0.000) 1.058 3.461 ( 0.000 -1.144 0.000) 1.144 3.461 ( 0.000 1.144 0.000) 1.144 3.535 ( 0.000 -0.135 0.000) 0.135 3.535 ( 0.000 0.135 0.000) 0.135 3.625 ( 0.000 -2.458 0.000) 2.458 3.625 ( 0.000 2.458 0.000) 2.458 3.901 ( 0.000 -0.260 0.000) 0.260 3.901 ( 0.000 0.260 0.000) 0.260 4.004 ( 0.000 -2.521 0.000) 2.521 4.004 ( 0.000 2.521 0.000) 2.521 4.163 ( 0.000 -1.069 0.000) 1.069 4.163 ( 0.000 1.069 0.000) 1.069 4.263 ( 0.000 -1.067 0.000) 1.067 4.263 ( 0.000 1.067 0.000) 1.067 4.666 ( 0.000 -0.673 0.000) 0.673 4.666 ( 0.000 0.673 0.000) 0.673 4.829 ( 0.000 -0.976 0.000) 0.976 4.829 ( 0.000 0.976 0.000) 0.976 5.264 ( 0.000 -1.561 0.000) 1.561 5.264 ( 0.000 1.561 0.000) 1.561 5.482 ( 0.000 -3.681 0.000) 3.681 5.482 ( 0.000 3.681 0.000) 3.681 5.656 ( 0.000 -0.775 0.000) 0.775 5.656 ( 0.000 0.775 0.000) 0.775 5.710 ( 0.000 -1.363 0.000) 1.363 5.710 ( 0.000 1.363 0.000) 1.363 8.299 ( 0.000 -0.612 0.000) 0.612 8.299 ( 0.000 0.612 0.000) 0.612 8.397 ( 0.000 -0.014 0.000) 0.014 8.397 ( 0.000 0.014 0.000) 0.014 8.547 ( 0.000 -2.175 0.000) 2.175 8.547 ( 0.000 2.175 0.000) 2.175 8.737 ( 0.000 -0.488 0.000) 0.488 8.737 ( 0.000 0.488 0.000) 0.488 ======================= Grid point 16 (10/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -0.962 -11.382 -0.770) 11.448 0.478 ( -0.962 11.382 -0.770) 11.448 0.550 ( 0.335 -12.573 4.842) 13.477 0.550 ( 0.335 12.573 4.842) 13.477 0.779 ( 4.437 -4.918 -0.031) 6.624 0.779 ( 4.437 4.918 -0.031) 6.624 0.986 ( 2.054 -1.595 -0.762) 2.710 0.986 ( 2.054 1.595 -0.762) 2.710 1.071 ( 3.270 -2.341 -1.141) 4.180 1.071 ( 3.270 2.341 -1.141) 4.180 1.261 ( 1.489 -3.740 0.074) 4.026 1.261 ( 1.489 3.740 0.074) 4.026 1.393 ( 0.095 -5.003 -0.562) 5.035 1.393 ( 0.095 5.003 -0.562) 5.035 1.489 ( -0.598 -5.750 -1.294) 5.924 1.489 ( -0.598 5.750 -1.294) 5.924 1.750 ( 0.340 -1.825 1.974) 2.710 1.750 ( 0.340 1.825 1.974) 2.710 1.789 ( 0.060 -0.915 -1.484) 1.745 1.789 ( 0.060 0.915 -1.484) 1.745 1.864 ( 0.348 -1.328 0.027) 1.374 1.864 ( 0.348 1.328 0.027) 1.374 2.001 ( -0.093 -3.115 2.260) 3.849 2.001 ( -0.093 3.115 2.260) 3.849 2.132 ( -0.725 -2.579 4.584) 5.309 2.132 ( -0.725 2.579 4.584) 5.309 2.194 ( 1.169 -0.856 -3.067) 3.392 2.194 ( 1.169 0.856 -3.067) 3.392 2.418 ( -0.586 -3.434 0.927) 3.605 2.418 ( -0.586 3.434 0.927) 3.605 2.676 ( -2.552 -0.560 0.424) 2.647 2.676 ( -2.552 0.560 0.424) 2.647 2.754 ( 0.699 -1.453 -3.506) 3.859 2.754 ( 0.699 1.453 -3.506) 3.859 2.901 ( -0.179 -2.423 1.918) 3.095 2.901 ( -0.179 2.423 1.918) 3.095 3.028 ( 0.641 -0.818 -0.879) 1.361 3.028 ( 0.641 0.818 -0.879) 1.361 3.463 ( -0.040 -0.788 0.614) 1.000 3.463 ( -0.040 0.788 0.614) 1.000 3.530 ( -0.600 -0.400 0.762) 1.049 3.530 ( -0.600 0.400 0.762) 1.049 3.630 ( 0.489 -2.220 -0.367) 2.303 3.630 ( 0.489 2.220 -0.367) 2.303 3.895 ( -0.554 -0.194 0.249) 0.638 3.895 ( -0.554 0.194 0.249) 0.638 4.002 ( -0.144 -2.223 -0.297) 2.247 4.002 ( -0.144 2.223 -0.297) 2.247 4.158 ( -0.604 -1.167 -0.250) 1.338 4.158 ( -0.604 1.167 -0.250) 1.338 4.260 ( -0.264 -0.932 -0.106) 0.975 4.260 ( -0.264 0.932 -0.106) 0.975 4.669 ( 0.238 -0.991 0.079) 1.022 4.669 ( 0.238 0.991 0.079) 1.022 4.834 ( 0.440 -0.764 0.396) 0.966 4.834 ( 0.440 0.764 0.396) 0.966 5.254 ( -0.891 -1.124 0.349) 1.476 5.254 ( -0.891 1.124 0.349) 1.476 5.475 ( -0.798 -4.162 0.400) 4.257 5.475 ( -0.798 4.162 0.400) 4.257 5.583 ( -4.276 -2.448 0.047) 4.927 5.583 ( -4.276 2.448 0.047) 4.927 5.747 ( 1.597 -0.535 -0.365) 1.724 5.747 ( 1.597 0.535 -0.365) 1.724 8.301 ( 0.116 -0.630 -0.006) 0.641 8.301 ( 0.116 0.630 -0.006) 0.641 8.375 ( -1.861 -0.331 -0.199) 1.901 8.375 ( -1.861 0.331 -0.199) 1.901 8.541 ( 0.196 -2.089 0.799) 2.246 8.541 ( 0.196 2.089 0.799) 2.246 8.797 ( 4.547 -6.664 -2.423) 8.423 8.797 ( 4.547 6.664 -2.423) 8.423 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -0.940 -8.719 -0.057) 8.769 0.455 ( -0.940 8.719 -0.057) 8.769 0.590 ( 2.786 -9.914 4.702) 11.320 0.590 ( 2.786 9.914 4.702) 11.320 0.837 ( 1.120 -0.619 -0.058) 1.281 0.837 ( 1.120 0.619 -0.058) 1.281 1.037 ( 3.011 -2.016 -0.371) 3.642 1.037 ( 3.011 2.016 -0.371) 3.642 1.139 ( 3.347 -1.174 -1.532) 3.863 1.139 ( 3.347 1.174 -1.532) 3.863 1.285 ( 0.366 -1.063 -0.677) 1.312 1.285 ( 0.366 1.063 -0.677) 1.312 1.398 ( -0.284 -2.771 -0.452) 2.822 1.398 ( -0.284 2.771 -0.452) 2.822 1.485 ( 1.474 -4.327 -1.551) 4.827 1.485 ( 1.474 4.327 -1.551) 4.827 1.756 ( 0.307 -2.898 3.122) 4.270 1.756 ( 0.307 2.898 3.122) 4.270 1.800 ( 0.710 -2.634 -2.718) 3.851 1.800 ( 0.710 2.634 -2.718) 3.851 1.868 ( 0.085 -1.588 -0.346) 1.628 1.868 ( 0.085 1.588 -0.346) 1.628 1.998 ( -0.464 -1.453 3.492) 3.811 1.998 ( -0.464 1.453 3.492) 3.811 2.117 ( -1.348 -3.086 4.449) 5.580 2.117 ( -1.348 3.086 4.449) 5.580 2.204 ( 0.175 -0.343 -2.551) 2.580 2.204 ( 0.175 0.343 -2.551) 2.580 2.417 ( 0.404 -2.930 0.591) 3.017 2.417 ( 0.404 2.930 0.591) 3.017 2.640 ( -1.205 -1.190 -0.083) 1.696 2.640 ( -1.205 1.190 -0.083) 1.696 2.769 ( 1.480 -0.644 -3.597) 3.942 2.769 ( 1.480 0.644 -3.597) 3.942 2.894 ( -0.590 -2.091 2.400) 3.237 2.894 ( -0.590 2.091 2.400) 3.237 3.032 ( -0.142 -1.637 -0.847) 1.849 3.032 ( -0.142 1.637 -0.847) 1.849 3.455 ( -0.875 -0.049 0.206) 0.900 3.455 ( -0.875 0.049 0.206) 0.900 3.517 ( -0.697 -1.245 1.102) 1.803 3.517 ( -0.697 1.245 1.102) 1.803 3.639 ( 0.438 -1.930 -0.466) 2.033 3.639 ( 0.438 1.930 -0.466) 2.033 3.883 ( -0.668 -0.090 0.226) 0.711 3.883 ( -0.668 0.090 0.226) 0.711 3.998 ( -0.214 -1.461 -0.332) 1.513 3.998 ( -0.214 1.461 -0.332) 1.513 4.138 ( -1.332 -1.236 -0.400) 1.861 4.138 ( -1.332 1.236 -0.400) 1.861 4.254 ( -0.340 -0.609 -0.003) 0.698 4.254 ( -0.340 0.609 -0.003) 0.698 4.674 ( 0.210 -1.071 0.106) 1.096 4.674 ( 0.210 1.071 0.106) 1.096 4.844 ( 0.456 -1.304 0.363) 1.428 4.844 ( 0.456 1.304 0.363) 1.428 5.236 ( -0.913 -0.429 0.353) 1.069 5.236 ( -0.913 0.429 0.353) 1.069 5.451 ( -1.499 -5.236 0.430) 5.464 5.451 ( -1.499 5.236 0.430) 5.464 5.532 ( -1.126 -1.607 -0.294) 1.984 5.532 ( -1.126 1.607 -0.294) 1.984 5.764 ( 0.397 -0.697 -0.262) 0.844 5.764 ( 0.397 0.697 -0.262) 0.844 8.301 ( -0.093 -0.252 0.075) 0.278 8.301 ( -0.093 0.252 0.075) 0.278 8.344 ( -1.063 -0.719 -0.330) 1.325 8.344 ( -1.063 0.719 -0.330) 1.325 8.559 ( 1.222 -1.579 0.685) 2.110 8.559 ( 1.222 1.579 0.685) 2.110 8.868 ( 2.869 -7.559 -2.017) 8.333 8.868 ( 2.869 7.559 -2.017) 8.333 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.117 -3.585 -0.110) 3.588 0.449 ( 0.117 3.585 -0.110) 3.588 0.645 ( 1.786 -7.181 2.135) 7.701 0.645 ( 1.786 7.181 2.135) 7.701 0.837 ( -0.389 -0.592 -0.078) 0.713 0.837 ( -0.389 0.592 -0.078) 0.713 1.085 ( 1.625 -2.161 0.236) 2.714 1.085 ( 1.625 2.161 0.236) 2.714 1.181 ( 0.981 -2.503 -1.179) 2.936 1.181 ( 0.981 2.503 -1.179) 2.936 1.276 ( -0.555 -0.094 -0.449) 0.720 1.276 ( -0.555 0.094 -0.449) 0.720 1.380 ( -0.799 -0.908 -0.091) 1.213 1.380 ( -0.799 0.908 -0.091) 1.213 1.531 ( 1.983 -2.417 -0.671) 3.198 1.531 ( 1.983 2.417 -0.671) 3.198 1.766 ( 0.279 -4.012 1.622) 4.336 1.766 ( 0.279 4.012 1.622) 4.336 1.806 ( 0.247 -3.781 -1.046) 3.931 1.806 ( 0.247 3.781 -1.046) 3.931 1.863 ( -0.380 -0.978 -0.668) 1.244 1.863 ( -0.380 0.978 -0.668) 1.244 1.995 ( -0.111 -1.281 1.658) 2.098 1.995 ( -0.111 1.281 1.658) 2.098 2.096 ( -0.883 -2.994 1.812) 3.609 2.096 ( -0.883 2.994 1.812) 3.609 2.202 ( -0.031 -0.925 -0.908) 1.297 2.202 ( -0.031 0.925 -0.908) 1.297 2.427 ( 0.399 -2.276 0.146) 2.315 2.427 ( 0.399 2.276 0.146) 2.315 2.627 ( -0.239 -1.487 -0.066) 1.508 2.627 ( -0.239 1.487 -0.066) 1.508 2.795 ( 1.114 -0.136 -1.828) 2.145 2.795 ( 1.114 0.136 -1.828) 2.145 2.888 ( -0.276 -2.294 1.370) 2.686 2.888 ( -0.276 2.294 1.370) 2.686 3.027 ( -0.162 -3.503 -0.277) 3.517 3.027 ( -0.162 3.503 -0.277) 3.517 3.436 ( -0.791 -0.990 -0.009) 1.267 3.436 ( -0.791 0.990 -0.009) 1.267 3.509 ( -0.188 -1.499 0.480) 1.585 3.509 ( -0.188 1.499 0.480) 1.585 3.644 ( 0.134 -1.778 -0.213) 1.795 3.644 ( 0.134 1.778 -0.213) 1.795 3.873 ( -0.295 -0.420 0.065) 0.517 3.873 ( -0.295 0.420 0.065) 0.517 3.995 ( -0.092 -0.783 -0.138) 0.800 3.995 ( -0.092 0.783 -0.138) 0.800 4.114 ( -0.805 -1.302 -0.197) 1.543 4.114 ( -0.805 1.302 -0.197) 1.543 4.249 ( -0.144 -0.412 0.035) 0.438 4.249 ( -0.144 0.412 0.035) 0.438 4.677 ( 0.066 -0.464 0.050) 0.471 4.677 ( 0.066 0.464 0.050) 0.471 4.850 ( 0.174 -1.857 0.124) 1.869 4.850 ( 0.174 1.857 0.124) 1.869 5.224 ( -0.327 -0.328 0.125) 0.480 5.224 ( -0.327 0.328 0.125) 0.480 5.431 ( -0.547 -4.894 0.115) 4.926 5.431 ( -0.547 4.894 0.115) 4.926 5.522 ( -0.132 -1.537 -0.098) 1.546 5.522 ( -0.132 1.537 -0.098) 1.546 5.768 ( 0.061 -0.813 -0.102) 0.821 5.768 ( 0.061 0.813 -0.102) 0.821 8.298 ( -0.160 -0.154 0.035) 0.225 8.298 ( -0.160 0.154 0.035) 0.225 8.333 ( -0.188 -1.145 -0.134) 1.168 8.333 ( -0.188 1.145 -0.134) 1.168 8.579 ( 0.604 -0.575 0.268) 0.876 8.579 ( 0.604 0.575 0.268) 0.876 8.902 ( 0.911 -7.080 -0.723) 7.174 8.902 ( 0.911 7.080 -0.723) 7.174 ======================= Grid point 35 (13/75) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -9.800 0.000 9.792) 13.854 0.310 ( -0.674 0.000 14.634) 14.649 0.521 ( -0.318 0.000 24.743) 24.745 0.724 ( 0.253 0.000 -0.579) 0.632 0.825 ( 0.437 0.000 2.921) 2.954 0.872 ( 0.196 0.000 2.798) 2.805 0.937 ( 2.360 0.000 0.066) 2.361 0.962 ( -0.286 0.000 -0.473) 0.553 1.019 ( 1.802 0.000 -0.770) 1.960 1.149 ( -1.020 0.000 -1.593) 1.891 1.161 ( -0.556 0.000 -0.936) 1.088 1.275 ( 2.063 0.000 -3.271) 3.868 1.309 ( -0.291 0.000 -1.457) 1.485 1.380 ( -0.221 0.000 5.728) 5.732 1.485 ( 0.064 0.000 -1.543) 1.544 1.673 ( -0.422 0.000 0.157) 0.451 1.724 ( -0.532 0.000 -2.002) 2.072 1.761 ( -1.944 0.000 1.564) 2.495 1.789 ( 1.095 0.000 -1.033) 1.505 1.816 ( -0.103 0.000 0.428) 0.440 1.896 ( -0.028 0.000 0.410) 0.411 2.005 ( -0.750 0.000 0.321) 0.816 2.048 ( -0.388 0.000 6.460) 6.472 2.071 ( -0.391 0.000 0.476) 0.616 2.090 ( 3.463 0.000 -0.924) 3.585 2.139 ( 5.592 0.000 -3.274) 6.480 2.274 ( 0.635 0.000 6.583) 6.614 2.297 ( 1.211 0.000 -3.359) 3.570 2.439 ( 0.435 0.000 -5.419) 5.436 2.503 ( 4.091 0.000 6.785) 7.923 2.600 ( 0.465 0.000 -0.135) 0.484 2.668 ( -0.424 0.000 -0.904) 0.999 2.732 ( -0.453 0.000 -0.637) 0.782 2.809 ( -5.693 0.000 0.335) 5.703 2.867 ( 0.814 0.000 1.283) 1.520 2.954 ( -1.137 0.000 9.026) 9.097 3.031 ( -1.114 0.000 -1.182) 1.624 3.081 ( 2.446 0.000 9.390) 9.703 3.487 ( -0.801 0.000 1.096) 1.358 3.549 ( 1.697 0.000 1.162) 2.057 3.559 ( -0.352 0.000 3.860) 3.876 3.629 ( -1.409 0.000 5.095) 5.287 3.683 ( -0.246 0.000 0.293) 0.382 3.839 ( -0.006 0.000 -1.547) 1.547 3.871 ( 1.543 0.000 -0.639) 1.670 3.934 ( 3.805 0.000 -0.219) 3.811 3.974 ( 0.118 0.000 -0.873) 0.881 4.074 ( -0.003 0.000 -1.122) 1.122 4.125 ( -0.348 0.000 -0.617) 0.709 4.197 ( -0.934 0.000 0.883) 1.285 4.283 ( 1.264 0.000 -0.350) 1.311 4.294 ( -0.396 0.000 0.014) 0.396 4.604 ( 0.148 0.000 -4.318) 4.320 4.634 ( 0.603 0.000 -4.271) 4.314 4.819 ( -0.112 0.000 1.954) 1.957 5.036 ( 10.670 0.000 -0.291) 10.674 5.210 ( -0.509 0.000 0.369) 0.629 5.305 ( 2.219 0.000 -0.726) 2.334 5.346 ( -0.107 0.000 -0.076) 0.131 5.457 ( 0.214 0.000 -0.636) 0.671 5.594 ( 0.319 0.000 1.984) 2.009 5.655 ( -6.037 0.000 -0.951) 6.111 5.662 ( 0.261 0.000 -0.396) 0.474 5.753 ( -1.288 0.000 1.353) 1.868 8.282 ( -0.009 0.000 -0.291) 0.291 8.321 ( -0.172 0.000 -0.510) 0.538 8.341 ( -5.259 0.000 -0.046) 5.259 8.386 ( 0.574 0.000 -0.891) 1.060 8.498 ( -1.472 0.000 0.428) 1.533 8.500 ( 0.793 0.000 -0.195) 0.817 8.604 ( 1.243 0.000 0.011) 1.243 8.715 ( -7.332 0.000 -1.967) 7.591 ======================= Grid point 36 (14/75) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 15.033 0.000 2.900) 15.310 0.410 ( 8.117 0.000 10.552) 13.312 0.571 ( 2.131 0.000 21.467) 21.572 0.737 ( 0.829 0.000 0.876) 1.206 0.839 ( 0.508 0.000 2.785) 2.831 0.895 ( 1.510 0.000 4.211) 4.474 0.938 ( -1.524 0.000 1.313) 2.012 0.994 ( 2.907 0.000 -0.720) 2.995 1.075 ( 3.795 0.000 0.148) 3.798 1.133 ( -0.656 0.000 -2.543) 2.626 1.184 ( 2.791 0.000 -1.183) 3.031 1.272 ( -1.484 0.000 -4.307) 4.556 1.332 ( 2.923 0.000 -0.117) 2.926 1.376 ( -0.678 0.000 5.691) 5.731 1.485 ( 0.335 0.000 -1.877) 1.907 1.657 ( -1.546 0.000 0.846) 1.762 1.684 ( -2.508 0.000 -1.760) 3.063 1.704 ( -3.023 0.000 2.435) 3.882 1.822 ( 0.226 0.000 -0.380) 0.442 1.835 ( 2.913 0.000 -0.482) 2.952 1.878 ( -1.514 0.000 0.327) 1.549 2.007 ( 0.160 0.000 -2.683) 2.688 2.030 ( -2.327 0.000 5.818) 6.266 2.057 ( -0.330 0.000 1.615) 1.648 2.094 ( -0.628 0.000 -2.066) 2.159 2.221 ( 2.211 0.000 -2.694) 3.485 2.296 ( -0.169 0.000 6.508) 6.510 2.315 ( 0.957 0.000 -2.526) 2.701 2.438 ( 0.071 0.000 -5.481) 5.481 2.512 ( -4.272 0.000 8.255) 9.295 2.609 ( -0.133 0.000 0.221) 0.258 2.648 ( -0.414 0.000 -1.184) 1.254 2.703 ( -3.480 0.000 3.237) 4.752 2.723 ( -0.018 0.000 -0.730) 0.730 2.891 ( 1.183 0.000 1.813) 2.165 2.959 ( -0.263 0.000 10.163) 10.166 3.016 ( -0.042 0.000 -2.335) 2.335 3.130 ( 1.236 0.000 6.464) 6.582 3.472 ( -0.802 0.000 0.937) 1.233 3.557 ( -0.369 0.000 3.261) 3.282 3.564 ( -0.899 0.000 2.267) 2.439 3.615 ( -0.173 0.000 4.598) 4.601 3.682 ( 0.162 0.000 -0.083) 0.182 3.826 ( -9.112 0.000 6.196) 11.020 3.838 ( 0.150 0.000 -1.471) 1.478 3.891 ( -1.508 0.000 2.285) 2.737 3.977 ( 0.326 0.000 -0.927) 0.983 4.067 ( -0.642 0.000 -1.318) 1.466 4.111 ( -1.070 0.000 -0.795) 1.333 4.174 ( -1.358 0.000 0.275) 1.385 4.264 ( -1.469 0.000 1.041) 1.800 4.286 ( -0.519 0.000 0.426) 0.671 4.598 ( 0.044 0.000 -4.463) 4.463 4.649 ( 1.070 0.000 -4.050) 4.189 4.816 ( -0.318 0.000 1.858) 1.885 5.047 ( -7.221 0.000 5.152) 8.870 5.200 ( -0.548 0.000 -0.097) 0.557 5.242 ( -2.085 0.000 1.463) 2.547 5.345 ( -0.140 0.000 0.045) 0.147 5.462 ( 0.416 0.000 -0.596) 0.727 5.600 ( -0.036 0.000 2.332) 2.332 5.644 ( 2.942 0.000 -3.821) 4.823 5.651 ( -1.358 0.000 -0.002) 1.358 5.751 ( 0.117 0.000 0.927) 0.935 8.285 ( 0.433 0.000 -0.306) 0.531 8.309 ( -0.790 0.000 -0.643) 1.019 8.319 ( 0.899 0.000 -1.855) 2.062 8.369 ( -1.943 0.000 -0.314) 1.968 8.508 ( 2.160 0.000 -0.363) 2.190 8.523 ( 2.352 0.000 -0.181) 2.359 8.646 ( 2.645 0.000 0.581) 2.709 8.779 ( 8.263 0.000 -8.017) 11.513 ======================= Grid point 37 (15/75) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 6.602 0.000 10.316) 12.248 0.595 ( 8.811 0.000 5.467) 10.369 0.658 ( 5.255 0.000 5.939) 7.931 0.755 ( 1.143 0.000 2.161) 2.444 0.845 ( -0.401 0.000 2.896) 2.923 0.915 ( -0.416 0.000 3.757) 3.780 0.938 ( 2.167 0.000 3.514) 4.128 1.038 ( 1.137 0.000 -1.058) 1.554 1.111 ( -1.195 0.000 -1.586) 1.985 1.152 ( 3.791 0.000 0.015) 3.791 1.226 ( 0.471 0.000 -1.709) 1.772 1.271 ( 2.861 0.000 -4.224) 5.101 1.373 ( -0.400 0.000 4.567) 4.585 1.395 ( 3.473 0.000 0.213) 3.480 1.491 ( 0.360 0.000 -0.974) 1.038 1.622 ( -1.922 0.000 -0.009) 1.922 1.636 ( -2.185 0.000 -0.797) 2.326 1.660 ( -1.847 0.000 2.236) 2.900 1.816 ( -0.769 0.000 -1.312) 1.521 1.850 ( -1.156 0.000 -0.492) 1.256 1.880 ( 1.456 0.000 -0.629) 1.586 1.981 ( -3.131 0.000 5.882) 6.663 1.984 ( -1.377 0.000 -2.647) 2.984 2.071 ( -1.526 0.000 -2.428) 2.868 2.086 ( 2.662 0.000 0.429) 2.696 2.224 ( -2.040 0.000 -1.516) 2.542 2.281 ( -1.509 0.000 8.599) 8.730 2.329 ( 0.940 0.000 -2.374) 2.553 2.428 ( -0.397 0.000 -5.705) 5.719 2.438 ( -3.764 0.000 14.158) 14.650 2.596 ( -0.463 0.000 -0.559) 0.726 2.658 ( 0.727 0.000 -0.483) 0.873 2.681 ( 0.675 0.000 0.105) 0.683 2.732 ( 1.053 0.000 -1.276) 1.654 2.911 ( 0.582 0.000 1.932) 2.017 2.962 ( -0.637 0.000 10.633) 10.652 3.025 ( 1.310 0.000 -2.776) 3.069 3.139 ( -1.147 0.000 7.445) 7.533 3.461 ( -0.286 0.000 0.851) 0.898 3.522 ( -3.361 0.000 3.159) 4.612 3.552 ( -0.595 0.000 2.893) 2.953 3.628 ( 0.665 0.000 3.512) 3.575 3.669 ( -6.601 0.000 9.136) 11.271 3.688 ( 0.379 0.000 -0.167) 0.414 3.842 ( 0.414 0.000 -1.245) 1.311 3.873 ( -1.025 0.000 1.689) 1.976 3.983 ( 0.331 0.000 -0.952) 1.008 4.048 ( -1.033 0.000 -1.322) 1.678 4.084 ( -1.475 0.000 -0.610) 1.596 4.150 ( -1.089 0.000 -0.014) 1.090 4.251 ( -0.311 0.000 0.433) 0.534 4.270 ( -1.062 0.000 0.513) 1.180 4.600 ( 0.761 0.000 -4.582) 4.645 4.657 ( 0.158 0.000 -4.091) 4.094 4.813 ( -0.213 0.000 1.838) 1.851 4.952 ( -2.893 0.000 5.032) 5.805 5.192 ( -0.145 0.000 -0.492) 0.513 5.229 ( -0.252 0.000 -0.066) 0.260 5.344 ( 0.077 0.000 0.023) 0.080 5.470 ( 0.425 0.000 -0.708) 0.825 5.596 ( -0.870 0.000 2.177) 2.345 5.620 ( -1.433 0.000 0.951) 1.720 5.679 ( 1.179 0.000 -3.243) 3.451 5.757 ( 0.528 0.000 0.797) 0.956 8.294 ( 0.307 0.000 0.120) 0.330 8.295 ( -0.480 0.000 -0.640) 0.800 8.322 ( -0.003 0.000 -1.886) 1.886 8.330 ( -1.793 0.000 0.053) 1.794 8.557 ( 2.572 0.000 -0.580) 2.637 8.578 ( 2.788 0.000 -0.999) 2.962 8.695 ( 2.112 0.000 0.618) 2.201 8.902 ( 5.277 0.000 -8.629) 10.114 ======================= Grid point 38 (16/75) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -2.420 0.000 10.217) 10.500 0.712 ( 2.712 0.000 1.065) 2.914 0.744 ( 2.972 0.000 0.634) 3.039 0.800 ( 0.831 0.000 2.909) 3.025 0.836 ( 0.692 0.000 4.700) 4.751 0.925 ( 0.308 0.000 3.606) 3.619 0.980 ( 1.314 0.000 4.454) 4.643 1.012 ( -3.280 0.000 -3.175) 4.565 1.113 ( 1.917 0.000 1.327) 2.331 1.210 ( 2.150 0.000 -0.518) 2.212 1.235 ( 0.918 0.000 -3.381) 3.504 1.319 ( 1.683 0.000 -3.385) 3.780 1.362 ( -1.412 0.000 3.589) 3.857 1.457 ( 2.449 0.000 0.856) 2.594 1.494 ( -0.223 0.000 1.727) 1.741 1.592 ( -0.344 0.000 -2.694) 2.716 1.599 ( -1.456 0.000 -0.422) 1.515 1.648 ( 0.430 0.000 2.243) 2.284 1.795 ( -1.121 0.000 -0.816) 1.386 1.830 ( -0.844 0.000 -1.771) 1.962 1.889 ( -0.011 0.000 -1.572) 1.572 1.931 ( -2.513 0.000 4.652) 5.288 1.971 ( 0.313 0.000 -1.109) 1.153 2.034 ( -1.759 0.000 -1.440) 2.273 2.137 ( 1.980 0.000 0.071) 1.981 2.158 ( -3.639 0.000 -0.571) 3.684 2.267 ( -1.133 0.000 8.877) 8.949 2.342 ( 0.310 0.000 -3.253) 3.267 2.400 ( -2.152 0.000 14.283) 14.444 2.417 ( 0.277 0.000 -5.286) 5.293 2.594 ( 0.087 0.000 -0.574) 0.580 2.663 ( -0.163 0.000 -0.999) 1.013 2.711 ( 1.742 0.000 -0.429) 1.794 2.765 ( 2.593 0.000 -2.043) 3.301 2.914 ( -0.461 0.000 1.446) 1.518 2.961 ( -0.784 0.000 10.564) 10.593 3.058 ( 2.056 0.000 -1.993) 2.863 3.109 ( -2.706 0.000 9.261) 9.648 3.458 ( -3.032 0.000 2.456) 3.902 3.467 ( 0.688 0.000 1.326) 1.494 3.541 ( -0.860 0.000 3.266) 3.377 3.595 ( -2.315 0.000 5.343) 5.823 3.644 ( 0.470 0.000 3.578) 3.608 3.694 ( 0.299 0.000 -0.083) 0.310 3.849 ( 0.325 0.000 -1.088) 1.135 3.856 ( -0.897 0.000 2.065) 2.251 3.987 ( 0.224 0.000 -0.911) 0.938 4.031 ( -0.339 0.000 -1.158) 1.206 4.061 ( -0.511 0.000 -0.286) 0.585 4.137 ( -0.101 0.000 0.237) 0.258 4.244 ( -0.629 0.000 0.354) 0.722 4.255 ( -0.241 0.000 0.057) 0.248 4.615 ( 1.265 0.000 -4.749) 4.914 4.645 ( -0.757 0.000 -4.174) 4.242 4.812 ( -0.095 0.000 1.928) 1.930 4.923 ( -1.117 0.000 3.163) 3.355 5.194 ( 0.418 0.000 -0.548) 0.689 5.225 ( -0.178 0.000 -0.101) 0.205 5.347 ( 0.167 0.000 0.101) 0.195 5.475 ( 0.136 0.000 -0.909) 0.919 5.572 ( -1.315 0.000 1.420) 1.935 5.607 ( -0.338 0.000 2.027) 2.055 5.689 ( 0.272 0.000 -1.972) 1.991 5.773 ( 0.981 0.000 0.673) 1.189 8.291 ( 0.122 0.000 -0.419) 0.437 8.292 ( -0.415 0.000 -0.075) 0.422 8.304 ( -0.910 0.000 0.032) 0.910 8.327 ( 0.707 0.000 -1.144) 1.345 8.595 ( 1.330 0.000 -0.541) 1.436 8.616 ( 1.108 0.000 -1.134) 1.586 8.721 ( 0.399 0.000 0.382) 0.553 8.972 ( 3.202 0.000 -6.599) 7.335 ======================= Grid point 39 (17/75) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -6.535 0.000 6.872) 9.483 0.730 ( -3.588 0.000 3.205) 4.810 0.760 ( -0.974 0.000 -0.539) 1.113 0.783 ( 0.725 0.000 3.685) 3.756 0.853 ( -1.751 0.000 4.474) 4.804 0.919 ( -1.263 0.000 0.744) 1.466 0.954 ( -1.123 0.000 -2.767) 2.986 0.984 ( -1.638 0.000 4.831) 5.101 1.172 ( 2.839 0.000 1.727) 3.323 1.235 ( 0.401 0.000 0.024) 0.402 1.240 ( -0.187 0.000 -3.272) 3.277 1.317 ( -1.428 0.000 -1.069) 1.783 1.323 ( -2.742 0.000 3.148) 4.175 1.467 ( -3.088 0.000 -1.726) 3.537 1.486 ( 0.544 0.000 0.429) 0.692 1.592 ( 1.064 0.000 -0.945) 1.423 1.608 ( 2.040 0.000 0.423) 2.084 1.684 ( 2.612 0.000 1.396) 2.962 1.775 ( -0.840 0.000 1.099) 1.383 1.817 ( -0.133 0.000 -2.207) 2.211 1.885 ( -0.341 0.000 -1.538) 1.575 1.905 ( -0.218 0.000 1.473) 1.489 1.989 ( 1.480 0.000 -0.536) 1.574 2.008 ( -0.859 0.000 1.200) 1.476 2.106 ( -1.389 0.000 -1.481) 2.031 2.148 ( -0.914 0.000 0.270) 0.953 2.260 ( -0.549 0.000 8.362) 8.380 2.327 ( -1.173 0.000 -3.683) 3.866 2.384 ( -1.223 0.000 14.631) 14.682 2.429 ( 1.231 0.000 -5.116) 5.262 2.590 ( -0.434 0.000 -0.567) 0.714 2.653 ( -0.528 0.000 -1.296) 1.399 2.730 ( 0.286 0.000 -0.167) 0.332 2.819 ( 2.789 0.000 -3.172) 4.224 2.900 ( -1.000 0.000 0.864) 1.322 2.957 ( -0.775 0.000 10.284) 10.313 3.070 ( -2.158 0.000 9.891) 10.124 3.082 ( 0.385 0.000 -1.016) 1.086 3.431 ( 0.212 0.000 1.595) 1.609 3.479 ( 0.126 0.000 2.783) 2.786 3.539 ( 0.433 0.000 3.403) 3.431 3.577 ( -0.449 0.000 3.595) 3.623 3.654 ( 0.110 0.000 3.659) 3.660 3.698 ( 0.095 0.000 0.201) 0.222 3.849 ( 0.014 0.000 1.832) 1.832 3.850 ( -0.085 0.000 -1.139) 1.142 3.987 ( -0.145 0.000 -0.706) 0.721 4.036 ( 0.849 0.000 -0.934) 1.262 4.069 ( 1.219 0.000 -0.015) 1.219 4.150 ( 1.322 0.000 0.780) 1.535 4.234 ( -0.253 0.000 -0.035) 0.255 4.257 ( 0.369 0.000 0.031) 0.370 4.622 ( -0.916 0.000 -4.287) 4.383 4.635 ( 1.137 0.000 -4.775) 4.908 4.813 ( -0.075 0.000 2.050) 2.052 4.905 ( -1.292 0.000 2.495) 2.810 5.204 ( 0.597 0.000 -0.176) 0.623 5.224 ( 0.117 0.000 -0.157) 0.196 5.350 ( 0.099 0.000 0.164) 0.192 5.472 ( -0.346 0.000 -0.989) 1.048 5.560 ( -0.033 0.000 1.122) 1.122 5.607 ( 0.110 0.000 1.860) 1.863 5.690 ( 0.148 0.000 -1.475) 1.482 5.793 ( 0.802 0.000 1.004) 1.285 8.284 ( -0.302 0.000 -0.484) 0.570 8.292 ( -0.031 0.000 -0.052) 0.061 8.303 ( 0.921 0.000 -0.303) 0.969 8.341 ( 0.775 0.000 -0.510) 0.928 8.604 ( -0.417 0.000 -0.272) 0.498 8.616 ( -0.933 0.000 -1.410) 1.690 8.709 ( -1.626 0.000 -0.121) 1.631 9.016 ( 2.059 0.000 -5.408) 5.787 ======================= Grid point 40 (18/75) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -4.841 0.000 9.928) 11.046 0.587 ( -9.768 0.000 5.631) 11.275 0.756 ( -0.712 0.000 -1.862) 1.994 0.761 ( -4.585 0.000 6.477) 7.936 0.821 ( -0.996 0.000 2.455) 2.650 0.883 ( -2.073 0.000 -2.198) 3.021 0.937 ( -3.207 0.000 4.811) 5.782 0.956 ( 0.970 0.000 -0.491) 1.087 1.154 ( -5.107 0.000 0.435) 5.125 1.222 ( -1.670 0.000 -0.090) 1.672 1.223 ( -1.081 0.000 -2.180) 2.433 1.271 ( -2.644 0.000 -0.609) 2.713 1.319 ( 2.064 0.000 4.387) 4.848 1.380 ( -4.597 0.000 -1.919) 4.981 1.485 ( -0.584 0.000 -1.367) 1.487 1.633 ( 3.016 0.000 -1.063) 3.198 1.654 ( 2.393 0.000 -1.239) 2.695 1.731 ( 1.257 0.000 4.235) 4.418 1.772 ( 0.772 0.000 2.989) 3.087 1.818 ( 0.207 0.000 -2.394) 2.402 1.873 ( -0.461 0.000 -0.600) 0.757 1.924 ( 1.665 0.000 -2.578) 3.069 2.007 ( 0.443 0.000 5.622) 5.639 2.023 ( 2.010 0.000 -0.048) 2.010 2.100 ( 0.630 0.000 -2.012) 2.109 2.108 ( -2.965 0.000 0.434) 2.997 2.266 ( 0.073 0.000 7.158) 7.158 2.298 ( -1.118 0.000 -3.565) 3.736 2.389 ( -0.027 0.000 15.371) 15.371 2.439 ( 0.406 0.000 -5.694) 5.708 2.585 ( 0.203 0.000 -0.800) 0.825 2.647 ( 0.168 0.000 -0.757) 0.775 2.728 ( -0.251 0.000 -0.073) 0.262 2.849 ( 0.781 0.000 -2.670) 2.782 2.881 ( -1.028 0.000 0.599) 1.190 2.963 ( 0.154 0.000 9.808) 9.809 3.055 ( -0.669 0.000 7.896) 7.924 3.075 ( -0.758 0.000 -0.485) 0.900 3.461 ( 2.264 0.000 1.171) 2.549 3.487 ( 0.491 0.000 3.331) 3.367 3.556 ( 0.566 0.000 4.155) 4.193 3.587 ( 1.518 0.000 5.516) 5.722 3.655 ( -0.407 0.000 3.656) 3.679 3.697 ( -0.260 0.000 0.678) 0.726 3.845 ( -0.165 0.000 -1.272) 1.283 3.858 ( 0.606 0.000 1.048) 1.210 3.981 ( -0.322 0.000 -0.651) 0.726 4.054 ( 1.041 0.000 -0.795) 1.310 4.099 ( 1.639 0.000 -0.010) 1.639 4.182 ( 1.577 0.000 1.247) 2.011 4.234 ( 0.258 0.000 -0.131) 0.290 4.269 ( 0.838 0.000 0.123) 0.847 4.603 ( -0.383 0.000 -4.250) 4.268 4.645 ( 0.436 0.000 -4.772) 4.792 4.814 ( -0.068 0.000 2.109) 2.110 4.879 ( -1.505 0.000 2.835) 3.210 5.214 ( 0.326 0.000 0.360) 0.486 5.231 ( 0.686 0.000 -0.124) 0.697 5.351 ( -0.008 0.000 0.141) 0.141 5.463 ( -0.401 0.000 -0.920) 1.004 5.569 ( 0.689 0.000 1.015) 1.227 5.619 ( 0.981 0.000 1.054) 1.439 5.693 ( 0.333 0.000 -1.429) 1.467 5.804 ( 0.133 0.000 1.220) 1.228 8.281 ( 0.037 0.000 -0.626) 0.627 8.298 ( 0.644 0.000 -0.325) 0.722 8.329 ( 1.655 0.000 -0.192) 1.666 8.357 ( 1.010 0.000 -0.338) 1.065 8.579 ( -2.520 0.000 -1.726) 3.054 8.582 ( -1.737 0.000 0.354) 1.773 8.663 ( -2.895 0.000 -0.822) 3.009 9.033 ( 0.042 0.000 -6.605) 6.605 ======================= Grid point 41 (19/75) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -3.360 0.000 11.762) 12.232 0.404 ( -9.197 0.000 10.298) 13.807 0.604 ( -11.232 0.000 15.979) 19.531 0.734 ( -0.965 0.000 -2.183) 2.386 0.818 ( 0.018 0.000 2.850) 2.850 0.867 ( 1.566 0.000 -3.221) 3.582 0.893 ( -1.443 0.000 5.062) 5.264 0.976 ( 0.672 0.000 0.012) 0.672 1.041 ( -4.983 0.000 -0.938) 5.070 1.181 ( -2.144 0.000 -0.412) 2.183 1.195 ( -1.952 0.000 -1.106) 2.243 1.247 ( 0.735 0.000 -2.104) 2.228 1.315 ( -1.402 0.000 -1.464) 2.027 1.363 ( 1.407 0.000 5.120) 5.310 1.478 ( 0.362 0.000 -0.970) 1.036 1.680 ( 0.159 0.000 -1.866) 1.872 1.693 ( 2.961 0.000 -1.005) 3.126 1.753 ( 1.347 0.000 2.854) 3.156 1.805 ( -1.272 0.000 -2.630) 2.921 1.808 ( 1.723 0.000 2.987) 3.449 1.880 ( 1.088 0.000 0.538) 1.214 1.960 ( 3.523 0.000 1.706) 3.914 2.034 ( 1.012 0.000 7.218) 7.289 2.042 ( -2.413 0.000 1.216) 2.703 2.063 ( 0.670 0.000 -0.080) 0.675 2.111 ( 0.640 0.000 -2.394) 2.478 2.270 ( -0.523 0.000 6.030) 6.053 2.285 ( 0.265 0.000 -3.795) 3.804 2.424 ( 1.937 0.000 14.757) 14.884 2.438 ( 0.331 0.000 -5.762) 5.772 2.593 ( 0.486 0.000 -0.690) 0.844 2.658 ( 0.980 0.000 -0.414) 1.064 2.730 ( 0.500 0.000 -0.533) 0.731 2.854 ( -0.039 0.000 -1.322) 1.323 2.865 ( -0.615 0.000 0.683) 0.919 2.978 ( -0.385 0.000 7.301) 7.312 3.048 ( -0.772 0.000 8.335) 8.370 3.055 ( -1.210 0.000 -0.457) 1.293 3.496 ( -0.171 0.000 1.806) 1.814 3.508 ( 2.291 0.000 1.102) 2.542 3.562 ( -0.333 0.000 4.160) 4.173 3.647 ( -0.953 0.000 4.140) 4.248 3.690 ( -0.529 0.000 0.781) 0.944 3.697 ( 10.092 0.000 9.836) 14.092 3.841 ( -0.067 0.000 -1.446) 1.448 3.874 ( 1.006 0.000 0.817) 1.296 3.975 ( -0.181 0.000 -0.731) 0.754 4.070 ( 0.591 0.000 -0.904) 1.080 4.123 ( 0.696 0.000 -0.262) 0.744 4.203 ( 0.293 0.000 1.311) 1.343 4.247 ( 1.291 0.000 0.334) 1.334 4.286 ( 0.739 0.000 0.326) 0.808 4.599 ( 0.507 0.000 -4.209) 4.239 4.640 ( -0.292 0.000 -4.620) 4.630 4.816 ( 0.033 0.000 2.060) 2.060 4.876 ( 2.093 0.000 5.319) 5.716 5.216 ( -0.140 0.000 0.595) 0.611 5.253 ( 1.707 0.000 0.264) 1.727 5.350 ( -0.131 0.000 0.040) 0.137 5.456 ( -0.104 0.000 -0.785) 0.792 5.583 ( 0.580 0.000 1.495) 1.604 5.645 ( 1.399 0.000 -0.034) 1.400 5.698 ( 0.239 0.000 -1.795) 1.811 5.795 ( -1.385 0.000 0.675) 1.541 8.282 ( 0.091 0.000 -0.456) 0.465 8.314 ( 0.855 0.000 -0.477) 0.979 8.362 ( 1.701 0.000 -0.466) 1.763 8.380 ( 1.194 0.000 -1.105) 1.627 8.522 ( -2.838 0.000 -1.516) 3.217 8.541 ( -2.465 0.000 0.938) 2.637 8.610 ( -1.859 0.000 -1.065) 2.142 8.960 ( -8.344 0.000 -11.274) 14.026 ======================= Grid point 42 (20/75) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -2.250 11.726 5.243) 13.041 0.386 ( 1.468 6.899 11.388) 13.396 0.625 ( -0.168 6.825 11.058) 12.996 0.677 ( -0.435 -2.764 5.298) 5.992 0.785 ( 0.828 -8.644 3.687) 9.434 0.820 ( 0.823 0.272 3.863) 3.959 0.950 ( 1.289 1.809 -0.381) 2.253 0.980 ( -0.544 1.756 0.306) 1.863 1.028 ( 0.781 0.468 -0.250) 0.944 1.137 ( -1.547 0.828 -0.934) 1.988 1.195 ( 0.734 -0.015 -1.056) 1.287 1.267 ( -0.833 -0.534 -0.409) 1.070 1.319 ( -0.551 -4.913 1.591) 5.193 1.367 ( 1.308 4.873 0.087) 5.047 1.450 ( -0.389 -3.273 -1.570) 3.651 1.627 ( -0.239 -4.987 0.284) 5.001 1.730 ( -0.192 0.521 -1.207) 1.329 1.748 ( 0.081 -0.177 1.408) 1.422 1.786 ( -1.699 -0.265 -0.305) 1.746 1.826 ( 0.423 -0.228 -0.793) 0.928 1.901 ( 0.443 1.084 0.507) 1.276 1.982 ( -0.976 -2.842 3.945) 4.959 2.043 ( -0.631 1.127 2.534) 2.844 2.051 ( 3.100 -2.869 1.316) 4.424 2.070 ( 1.618 -1.311 -0.491) 2.140 2.127 ( 2.870 -1.010 -1.767) 3.519 2.276 ( -0.898 1.218 6.931) 7.094 2.323 ( 1.695 1.656 -1.097) 2.611 2.390 ( 0.419 -3.797 7.202) 8.153 2.439 ( 0.697 -2.581 -0.643) 2.750 2.652 ( 1.380 2.621 -2.319) 3.762 2.679 ( -0.010 0.897 -1.482) 1.732 2.724 ( -0.862 -0.031 -0.136) 0.873 2.787 ( -4.258 -1.902 1.047) 4.779 2.919 ( 0.128 3.621 1.919) 4.100 2.980 ( -0.924 2.255 6.435) 6.881 3.022 ( -0.416 -1.055 -0.357) 1.189 3.062 ( 1.425 -1.831 8.669) 8.974 3.491 ( -0.582 0.704 1.851) 2.064 3.547 ( 1.071 -0.442 1.130) 1.618 3.568 ( 0.006 0.894 4.225) 4.319 3.630 ( -1.090 -0.065 4.417) 4.550 3.669 ( -0.088 -1.534 1.249) 1.980 3.731 ( 2.263 -11.115 9.540) 14.822 3.856 ( 0.142 1.740 -1.682) 2.424 3.890 ( 0.307 0.297 0.127) 0.445 3.980 ( -0.066 0.504 -0.293) 0.587 4.050 ( -0.231 -2.397 -0.704) 2.509 4.137 ( -0.257 1.075 -0.623) 1.269 4.186 ( -0.434 -1.362 0.542) 1.529 4.256 ( 0.052 -0.433 0.569) 0.717 4.282 ( -0.199 -0.761 0.173) 0.806 4.610 ( 0.216 0.602 -4.297) 4.344 4.632 ( 0.484 -0.331 -4.288) 4.328 4.828 ( -0.106 1.035 1.738) 2.026 4.910 ( 2.069 -5.022 3.824) 6.643 5.241 ( 0.233 1.102 -0.189) 1.142 5.298 ( 0.971 -2.187 -0.216) 2.403 5.402 ( 0.402 4.482 -1.199) 4.657 5.513 ( 2.121 0.222 -2.929) 3.623 5.603 ( 0.582 1.996 -0.527) 2.145 5.651 ( -0.881 -0.364 -1.069) 1.433 5.686 ( -1.735 1.879 0.236) 2.568 5.744 ( -0.993 -1.027 1.191) 1.860 8.287 ( -0.000 0.497 -0.246) 0.554 8.310 ( -0.229 -0.604 0.003) 0.646 8.375 ( -1.105 1.065 -1.691) 2.284 8.386 ( 0.434 -0.043 -0.945) 1.041 8.512 ( 1.124 1.426 -0.187) 1.826 8.579 ( 2.925 0.387 -1.410) 3.270 8.603 ( -3.175 4.739 -3.715) 6.808 8.710 ( -5.636 -0.778 -2.494) 6.212 ======================= Grid point 43 (21/75) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 4.409 6.361 7.168) 10.549 0.512 ( 7.464 7.781 8.924) 13.996 0.665 ( 1.434 -3.362 2.188) 4.260 0.688 ( 2.042 6.677 12.506) 14.323 0.825 ( 2.484 -6.793 4.391) 8.461 0.843 ( 0.803 0.781 3.104) 3.300 0.957 ( -0.449 1.213 0.298) 1.327 1.003 ( 2.205 0.397 -0.509) 2.297 1.071 ( 3.144 -1.631 -0.121) 3.544 1.123 ( 0.734 1.733 -0.337) 1.912 1.228 ( 2.456 -0.913 -1.446) 2.992 1.246 ( -0.657 1.827 -0.880) 2.131 1.308 ( -0.621 -4.336 0.795) 4.452 1.397 ( 1.600 4.154 0.741) 4.513 1.448 ( 0.724 -4.035 -1.048) 4.232 1.597 ( -2.598 -4.994 0.055) 5.630 1.718 ( -0.434 1.935 -0.584) 2.067 1.724 ( -2.353 2.336 0.898) 3.435 1.786 ( 1.024 -2.490 -0.151) 2.697 1.836 ( 0.907 -1.327 -0.850) 1.818 1.894 ( -1.337 1.630 1.195) 2.423 1.960 ( -1.336 -2.520 2.721) 3.942 2.029 ( -0.559 0.147 -0.103) 0.587 2.080 ( -0.025 -2.043 -0.843) 2.211 2.102 ( 1.465 2.276 0.069) 2.707 2.190 ( 2.501 -2.969 -1.753) 4.260 2.271 ( -0.603 0.080 7.878) 7.901 2.349 ( 0.829 2.269 -0.731) 2.524 2.399 ( -0.550 -4.735 5.986) 7.653 2.443 ( -0.433 -2.560 1.114) 2.826 2.644 ( -2.159 1.718 -1.964) 3.387 2.661 ( -0.934 0.950 -1.269) 1.840 2.702 ( -2.780 -0.090 2.597) 3.805 2.715 ( -0.041 -0.778 -0.603) 0.985 2.926 ( 0.193 3.099 1.471) 3.436 2.981 ( -0.371 1.707 8.112) 8.298 3.014 ( 0.111 -0.011 -1.079) 1.085 3.102 ( 1.099 -2.895 7.296) 7.925 3.481 ( -0.687 1.103 1.499) 1.984 3.552 ( -0.976 -1.227 1.882) 2.449 3.569 ( -0.542 1.024 4.096) 4.257 3.622 ( -0.126 0.525 3.714) 3.754 3.670 ( 0.027 -1.346 1.049) 1.707 3.716 ( -4.023 -7.858 9.473) 12.949 3.856 ( 0.025 1.715 -1.533) 2.300 3.890 ( -0.382 0.298 0.385) 0.619 3.979 ( 0.055 0.267 -0.467) 0.541 4.040 ( -0.644 -2.447 -0.855) 2.671 4.124 ( -0.886 1.262 -0.837) 1.755 4.170 ( -1.183 -0.755 0.109) 1.408 4.254 ( -0.261 -0.282 0.500) 0.630 4.276 ( -0.444 -0.768 0.207) 0.911 4.607 ( 0.179 0.921 -4.408) 4.507 4.643 ( 0.873 -0.679 -4.097) 4.243 4.830 ( 0.002 1.372 1.650) 2.146 4.929 ( -0.487 -5.668 3.813) 6.849 5.241 ( -0.165 0.895 -0.056) 0.912 5.285 ( -2.388 -0.265 0.774) 2.524 5.381 ( -1.867 5.502 -0.834) 5.870 5.510 ( -2.154 3.170 -1.767) 4.220 5.555 ( -0.539 -2.769 1.374) 3.138 5.622 ( -1.955 -1.192 0.247) 2.304 5.706 ( 1.636 2.703 -1.664) 3.571 5.749 ( 0.649 -0.251 0.547) 0.885 8.288 ( 0.276 0.431 -0.222) 0.558 8.309 ( -0.057 -0.391 -0.200) 0.443 8.344 ( -1.473 1.635 -1.834) 2.864 8.369 ( -1.843 -0.122 -0.507) 1.916 8.523 ( 0.686 1.572 0.816) 1.900 8.563 ( 0.890 2.480 -1.531) 3.047 8.645 ( 3.720 1.111 -1.437) 4.140 8.759 ( 6.736 -2.223 -6.884) 9.885 ======================= Grid point 44 (22/75) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 6.182 -3.745 6.033) 9.415 0.625 ( 2.379 5.168 12.445) 13.684 0.664 ( -0.405 -8.435 3.446) 9.121 0.783 ( 4.242 6.401 1.989) 7.932 0.848 ( -0.829 0.154 2.894) 3.014 0.875 ( 1.707 -5.090 5.919) 7.991 0.963 ( 1.829 2.948 0.114) 3.471 1.035 ( 1.029 -0.842 -2.183) 2.556 1.116 ( 1.828 1.209 0.929) 2.381 1.176 ( 3.507 1.162 0.466) 3.724 1.230 ( 0.143 0.145 -1.867) 1.878 1.293 ( 2.549 1.596 -3.949) 4.964 1.302 ( 0.499 -2.415 3.135) 3.989 1.429 ( 1.882 1.633 0.555) 2.553 1.474 ( 0.846 -3.280 1.424) 3.674 1.546 ( -1.592 -4.431 -2.283) 5.232 1.685 ( -1.616 3.434 1.138) 3.962 1.712 ( -0.283 3.853 -0.064) 3.863 1.795 ( -0.021 -1.974 -1.116) 2.268 1.857 ( 0.752 -2.597 -0.640) 2.779 1.867 ( -1.088 1.721 0.181) 2.044 1.934 ( -1.554 -1.497 2.079) 2.997 2.020 ( -0.437 -0.041 -1.505) 1.568 2.054 ( -2.145 0.010 0.928) 2.338 2.130 ( 1.073 2.690 -0.315) 2.913 2.197 ( -1.539 -2.290 -0.538) 2.811 2.271 ( -0.311 0.117 7.599) 7.607 2.358 ( 0.430 2.274 -0.839) 2.461 2.380 ( -2.035 -4.250 6.934) 8.384 2.430 ( -0.712 -1.243 1.303) 1.937 2.608 ( -0.942 1.173 -0.839) 1.723 2.649 ( -0.017 -0.814 -0.249) 0.852 2.691 ( 0.787 0.787 -0.349) 1.166 2.724 ( 1.192 -0.801 -1.068) 1.790 2.930 ( 0.074 2.132 1.779) 2.778 2.982 ( -0.419 1.326 7.860) 7.982 3.025 ( 1.008 0.282 -0.472) 1.148 3.113 ( -0.901 -2.717 7.759) 8.270 3.469 ( -0.587 0.882 1.230) 1.623 3.514 ( -2.930 -0.904 2.711) 4.093 3.560 ( -0.842 0.917 3.451) 3.669 3.621 ( -1.719 -1.756 4.924) 5.503 3.647 ( -1.745 -0.559 5.844) 6.124 3.679 ( 0.169 -0.992 0.999) 1.418 3.855 ( 0.042 1.224 -1.217) 1.727 3.878 ( -0.872 0.337 0.655) 1.141 3.982 ( 0.220 0.014 -0.653) 0.689 4.024 ( -0.793 -1.995 -0.792) 2.288 4.101 ( -1.302 1.466 -0.774) 2.108 4.145 ( -1.240 -0.605 -0.124) 1.385 4.250 ( -0.140 0.086 0.256) 0.304 4.264 ( -0.743 -0.501 0.281) 0.939 4.609 ( 0.640 0.967 -4.517) 4.664 4.649 ( 0.214 -0.816 -4.155) 4.239 4.831 ( -0.054 1.802 1.619) 2.423 4.917 ( -0.850 -2.897 3.279) 4.457 5.232 ( -1.298 1.367 0.751) 2.029 5.240 ( -1.070 1.736 0.149) 2.045 5.360 ( -0.345 2.837 -0.602) 2.921 5.489 ( -0.276 1.638 -0.908) 1.893 5.553 ( -0.543 -4.670 0.816) 4.772 5.582 ( -1.625 -1.793 1.497) 2.845 5.726 ( 0.631 2.741 -1.606) 3.239 5.760 ( 0.550 0.208 0.518) 0.784 8.295 ( 0.225 0.278 -0.151) 0.389 8.302 ( -0.402 0.333 -0.115) 0.534 8.323 ( -0.578 0.250 -1.288) 1.433 8.334 ( -1.308 0.199 -0.522) 1.422 8.553 ( 1.878 0.433 0.472) 1.985 8.593 ( 1.587 0.143 -0.491) 1.667 8.713 ( 3.217 2.638 -1.596) 4.456 8.867 ( 4.987 -3.670 -7.432) 9.673 ======================= Grid point 45 (23/75) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.472 -7.172 3.487) 7.989 0.650 ( 1.419 -3.358 6.826) 7.738 0.673 ( -0.762 -4.464 7.603) 8.850 0.813 ( -3.084 -1.174 2.695) 4.260 0.826 ( 0.686 2.734 1.107) 3.029 0.897 ( -0.071 -4.036 4.945) 6.383 1.017 ( 1.636 3.059 -0.190) 3.475 1.039 ( 0.721 1.815 -2.165) 2.915 1.155 ( 2.141 3.181 1.829) 4.248 1.228 ( 1.589 0.798 -0.648) 1.893 1.239 ( 0.803 0.584 -2.394) 2.592 1.292 ( -0.458 -4.313 1.355) 4.544 1.347 ( 1.864 2.360 -0.497) 3.048 1.448 ( -2.341 -3.403 2.370) 4.762 1.477 ( 2.368 0.819 -0.078) 2.507 1.556 ( 1.582 -1.804 -2.839) 3.718 1.668 ( -0.104 3.556 1.043) 3.707 1.707 ( -0.093 5.602 0.050) 5.603 1.787 ( -0.520 -0.729 -0.750) 1.168 1.840 ( -1.097 1.291 -1.787) 2.462 1.864 ( -0.465 -2.985 -1.145) 3.230 1.915 ( -0.320 -0.041 1.087) 1.134 2.003 ( -1.370 1.608 1.666) 2.690 2.021 ( -1.015 -1.232 -0.283) 1.621 2.123 ( -2.011 -0.804 0.665) 2.265 2.164 ( -0.978 -0.067 -0.233) 1.007 2.272 ( -0.529 0.758 7.359) 7.417 2.342 ( -2.028 -2.377 4.218) 5.249 2.372 ( 0.505 0.761 0.728) 1.168 2.426 ( 0.179 -0.327 1.311) 1.363 2.601 ( 0.018 0.798 -0.450) 0.917 2.649 ( -0.123 -1.423 -0.675) 1.579 2.718 ( 1.689 0.755 -0.853) 2.037 2.757 ( 2.162 -0.904 -1.802) 2.956 2.933 ( 0.035 2.229 1.787) 2.857 2.984 ( -0.413 1.996 8.828) 9.060 3.048 ( 1.157 -1.078 -0.667) 1.716 3.091 ( -2.163 -1.880 8.765) 9.221 3.460 ( -2.428 0.206 2.229) 3.302 3.467 ( 0.307 -0.040 1.537) 1.568 3.545 ( -1.150 0.488 3.496) 3.713 3.581 ( -1.828 -1.275 4.752) 5.249 3.650 ( 0.355 0.646 3.309) 3.390 3.685 ( 0.231 -0.962 0.868) 1.316 3.855 ( 0.043 0.635 -0.758) 0.990 3.863 ( -0.589 0.539 0.607) 1.003 3.986 ( 0.255 -0.058 -0.632) 0.684 4.013 ( -0.161 -1.423 -0.584) 1.547 4.081 ( -0.497 1.580 -0.475) 1.723 4.129 ( -0.232 -0.847 0.079) 0.882 4.246 ( -0.461 0.215 0.254) 0.568 4.254 ( -0.186 -0.148 0.022) 0.239 4.620 ( 0.954 0.512 -4.668) 4.792 4.641 ( -0.472 -0.443 -4.257) 4.306 4.832 ( -0.090 1.947 1.720) 2.600 4.907 ( -0.621 -1.659 2.494) 3.059 5.213 ( -0.396 1.529 0.266) 1.602 5.231 ( -0.287 0.510 0.225) 0.627 5.359 ( 0.163 1.806 -0.435) 1.865 5.483 ( -0.414 -0.036 -1.361) 1.423 5.537 ( -0.608 -3.392 1.408) 3.723 5.570 ( -0.252 -1.947 1.801) 2.664 5.730 ( 0.040 2.766 -0.943) 2.923 5.774 ( 0.770 -0.078 0.449) 0.895 8.293 ( -0.167 0.262 -0.303) 0.434 8.299 ( -0.077 0.249 -0.057) 0.267 8.308 ( -0.662 0.694 -0.142) 0.969 8.328 ( 0.488 0.044 -1.092) 1.197 8.583 ( 1.027 -0.560 -0.038) 1.170 8.610 ( 0.088 -1.046 0.014) 1.050 8.758 ( 1.538 4.008 -1.648) 4.598 8.935 ( 3.031 -3.928 -5.889) 7.700 ======================= Grid point 46 (24/75) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -4.561 -2.283 3.330) 6.091 0.630 ( -4.633 -4.837 7.667) 10.181 0.699 ( 1.760 -9.313 4.828) 10.637 0.748 ( -3.505 -2.765 1.540) 4.722 0.830 ( -0.130 1.146 1.806) 2.143 0.888 ( -1.091 -2.598 2.305) 3.641 1.000 ( -1.543 5.579 -0.695) 5.830 1.057 ( -0.686 2.714 1.311) 3.091 1.199 ( 1.395 2.062 1.463) 2.887 1.232 ( -0.394 -0.016 -2.365) 2.397 1.249 ( 0.231 0.799 -1.880) 2.056 1.281 ( -1.181 -3.007 2.166) 3.890 1.365 ( -0.025 2.630 0.504) 2.678 1.430 ( 0.626 -2.927 0.788) 3.095 1.481 ( -2.239 1.845 -1.676) 3.351 1.576 ( 0.632 -2.169 -0.504) 2.315 1.685 ( 1.411 0.945 1.049) 1.996 1.712 ( 0.841 6.878 0.242) 6.934 1.775 ( -0.722 0.605 0.272) 0.981 1.820 ( -0.479 0.620 -1.930) 2.083 1.855 ( 0.148 -2.365 -1.400) 2.752 1.922 ( 0.656 0.722 -0.315) 1.025 1.988 ( -0.195 0.171 3.044) 3.055 2.005 ( -0.619 -1.026 -0.322) 1.241 2.089 ( -0.916 -0.760 -0.308) 1.230 2.144 ( -1.493 -1.089 1.023) 2.112 2.272 ( -0.176 1.060 6.949) 7.032 2.311 ( -1.426 -1.726 2.234) 3.163 2.377 ( -0.216 0.590 2.277) 2.362 2.434 ( 0.301 -0.329 1.141) 1.225 2.600 ( -0.091 1.076 -0.414) 1.156 2.643 ( -0.215 -1.029 -1.028) 1.471 2.740 ( 0.550 0.924 -0.813) 1.348 2.793 ( 1.542 -2.009 -2.241) 3.382 2.935 ( -0.225 2.892 2.123) 3.595 2.984 ( -0.610 2.830 7.866) 8.382 3.044 ( -1.590 -2.527 7.402) 7.981 3.075 ( -0.137 -1.110 1.658) 1.999 3.442 ( 0.487 1.166 1.709) 2.125 3.481 ( 0.509 -0.087 2.592) 2.643 3.534 ( -0.078 -0.266 3.330) 3.341 3.564 ( -0.600 -1.248 3.520) 3.783 3.659 ( 0.066 0.520 3.291) 3.333 3.689 ( 0.045 -0.915 1.089) 1.423 3.854 ( 0.000 0.618 -0.364) 0.717 3.859 ( 0.140 0.678 0.056) 0.695 3.988 ( 0.033 0.156 -0.372) 0.405 4.018 ( 0.741 -1.386 -0.392) 1.620 4.087 ( 1.138 1.575 -0.177) 1.951 4.140 ( 1.239 -1.038 0.515) 1.696 4.239 ( -0.109 0.521 0.000) 0.532 4.255 ( 0.293 -0.237 0.018) 0.378 4.624 ( -0.589 0.243 -4.349) 4.396 4.633 ( 0.862 -0.159 -4.702) 4.783 4.832 ( -0.110 1.851 1.789) 2.577 4.895 ( -1.000 -1.105 2.149) 2.615 5.214 ( 0.375 0.888 0.090) 0.968 5.228 ( -0.001 0.320 0.285) 0.428 5.364 ( 0.340 1.787 -0.281) 1.841 5.472 ( -0.362 -0.781 -1.376) 1.624 5.540 ( 0.659 -1.939 1.192) 2.370 5.569 ( -0.121 -2.177 1.727) 2.782 5.729 ( -0.013 2.802 -0.664) 2.880 5.788 ( 0.564 -0.582 0.698) 1.069 8.289 ( -0.116 0.462 -0.385) 0.613 8.297 ( -0.117 0.226 -0.151) 0.296 8.308 ( 0.803 0.820 -0.254) 1.175 8.339 ( 0.679 -0.257 -0.594) 0.938 8.588 ( -0.551 -1.348 -0.691) 1.612 8.595 ( -1.517 -1.380 0.266) 2.068 8.765 ( -0.639 5.242 -1.662) 5.537 8.973 ( 1.477 -4.539 -4.788) 6.761 ======================= Grid point 47 (25/75) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -3.042 2.005 5.451) 6.557 0.512 ( -7.940 -4.112 9.466) 13.021 0.683 ( -2.496 -4.433 -0.784) 5.148 0.736 ( 1.072 -9.235 4.429) 10.298 0.830 ( -0.429 0.612 2.018) 2.152 0.853 ( -3.526 -0.638 2.679) 4.474 0.966 ( -1.752 7.112 -0.992) 7.391 1.025 ( -2.177 3.312 2.695) 4.793 1.161 ( -4.722 0.526 1.090) 4.875 1.212 ( -1.707 -0.116 -1.585) 2.332 1.235 ( -1.951 0.243 -1.764) 2.641 1.284 ( 1.493 -0.888 1.476) 2.279 1.350 ( -1.701 3.204 0.852) 3.726 1.401 ( -3.849 1.937 -0.901) 4.402 1.461 ( 0.697 -1.459 -1.249) 2.043 1.581 ( 0.725 -4.373 -1.160) 4.582 1.715 ( 1.581 1.433 0.550) 2.204 1.735 ( 0.256 4.363 2.259) 4.919 1.766 ( 0.580 -0.426 2.207) 2.321 1.820 ( 0.438 -0.147 -1.520) 1.589 1.868 ( 1.127 -0.087 -0.801) 1.385 1.930 ( 0.247 -0.353 -2.755) 2.788 1.996 ( 0.480 -0.609 5.024) 5.084 2.011 ( 1.389 -1.160 0.111) 1.813 2.088 ( 0.498 -0.840 -0.784) 1.252 2.107 ( -2.229 -0.633 1.424) 2.720 2.281 ( 0.139 0.925 5.115) 5.200 2.295 ( -0.401 -0.339 1.182) 1.294 2.372 ( -0.546 -0.304 4.551) 4.594 2.435 ( -0.356 -0.983 1.174) 1.573 2.604 ( 0.714 1.798 -0.713) 2.062 2.644 ( 0.485 -0.385 -0.723) 0.952 2.741 ( -0.160 1.261 -0.716) 1.458 2.810 ( 0.720 -2.434 -1.856) 3.145 2.927 ( -0.743 2.870 3.077) 4.273 2.981 ( -0.410 1.740 7.517) 7.726 3.037 ( -0.292 -1.586 6.165) 6.372 3.070 ( -0.571 -0.808 0.636) 1.176 3.472 ( 1.983 1.169 1.427) 2.709 3.491 ( 0.395 0.442 3.312) 3.365 3.548 ( 0.801 -0.737 3.784) 3.938 3.568 ( 0.812 -1.795 4.604) 5.008 3.659 ( -0.433 0.422 3.408) 3.461 3.688 ( -0.304 -0.917 1.415) 1.713 3.854 ( 0.071 0.900 -1.120) 1.438 3.867 ( 0.577 0.689 0.128) 0.908 3.986 ( -0.155 0.572 -0.193) 0.624 4.036 ( 0.926 -1.731 -0.303) 1.986 4.115 ( 1.427 1.400 -0.131) 2.003 4.169 ( 1.370 -1.289 0.730) 2.017 4.242 ( 0.344 0.738 0.046) 0.815 4.266 ( 0.738 -0.407 0.093) 0.848 4.611 ( -0.214 0.768 -4.310) 4.384 4.640 ( 0.369 -0.563 -4.672) 4.720 4.832 ( -0.039 1.628 1.669) 2.332 4.875 ( -1.238 -0.557 2.451) 2.802 5.226 ( 0.680 0.898 0.310) 1.168 5.232 ( 0.657 0.159 -0.011) 0.676 5.371 ( 0.499 2.477 -0.201) 2.535 5.468 ( 0.158 0.041 -1.309) 1.320 5.562 ( 1.185 -0.831 0.827) 1.667 5.574 ( 0.883 -3.116 1.313) 3.495 5.728 ( -0.046 2.576 -0.658) 2.659 5.794 ( -0.114 -1.053 0.865) 1.367 8.287 ( -0.045 0.647 -0.520) 0.831 8.300 ( 0.479 0.123 -0.241) 0.550 8.332 ( 1.558 0.389 -0.255) 1.626 8.354 ( 0.955 -0.389 -0.439) 1.121 8.549 ( -2.620 -1.271 -0.252) 2.923 8.573 ( -1.110 -1.352 -0.530) 1.828 8.731 ( -2.657 6.083 -1.775) 6.871 8.974 ( -1.076 -5.916 -5.203) 7.952 ======================= Grid point 48 (26/75) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -5.145 2.797 8.761) 10.538 0.412 ( -1.902 4.065 10.950) 11.834 0.649 ( -1.254 -3.692 -0.197) 3.904 0.721 ( -5.461 1.938 6.973) 9.066 0.779 ( -0.731 -6.622 4.289) 7.923 0.817 ( -1.116 -0.726 2.814) 3.113 0.941 ( -0.512 6.329 -0.843) 6.405 0.999 ( -0.869 2.228 2.009) 3.123 1.060 ( -4.544 1.768 0.113) 4.877 1.176 ( -2.141 0.493 -0.986) 2.408 1.198 ( -0.893 -1.365 -1.111) 1.973 1.287 ( -1.531 2.594 -0.300) 3.027 1.322 ( -0.181 -4.746 2.228) 5.246 1.357 ( -0.587 5.157 -1.069) 5.300 1.458 ( -0.357 -1.892 -1.089) 2.212 1.610 ( 1.773 -5.890 -1.477) 6.326 1.727 ( -0.213 2.317 0.111) 2.329 1.743 ( 0.745 0.685 2.064) 2.299 1.800 ( 1.321 -0.813 2.301) 2.775 1.820 ( -0.226 -0.253 -2.103) 2.131 1.889 ( 0.814 1.208 -0.279) 1.483 1.943 ( 2.324 -1.558 1.663) 3.255 2.012 ( 0.113 -0.958 6.073) 6.149 2.042 ( 1.495 -1.156 -0.788) 2.047 2.069 ( -1.591 0.711 2.018) 2.666 2.099 ( 0.741 -1.144 -1.693) 2.173 2.284 ( -0.408 1.061 4.285) 4.433 2.298 ( 0.683 1.132 0.345) 1.366 2.374 ( 0.188 -2.120 6.572) 6.908 2.430 ( -0.034 -1.863 0.500) 1.929 2.625 ( 1.404 2.550 -1.092) 3.109 2.661 ( 1.316 0.168 -0.744) 1.521 2.737 ( -0.269 1.106 -0.466) 1.230 2.820 ( 0.217 -2.182 -0.900) 2.370 2.919 ( -0.405 3.224 3.106) 4.495 2.992 ( 0.332 1.338 5.882) 6.042 3.026 ( -1.437 -1.750 4.980) 5.470 3.056 ( -0.891 -0.472 1.957) 2.202 3.496 ( -0.034 0.252 2.379) 2.392 3.516 ( 1.836 0.551 1.524) 2.449 3.563 ( 0.159 0.053 3.919) 3.923 3.621 ( 3.464 -4.843 7.833) 9.839 3.653 ( -0.256 0.037 4.449) 4.457 3.682 ( -0.227 -1.049 2.023) 2.290 3.855 ( 0.199 1.360 -1.525) 2.053 3.880 ( 0.681 0.507 -0.038) 0.850 3.983 ( -0.169 0.764 -0.196) 0.807 4.049 ( 0.413 -2.087 -0.447) 2.174 4.134 ( 0.583 1.120 -0.333) 1.306 4.187 ( 0.328 -1.531 0.652) 1.696 4.250 ( 0.428 0.567 0.364) 0.798 4.279 ( 0.504 -0.658 0.201) 0.853 4.607 ( 0.381 0.773 -4.258) 4.344 4.636 ( -0.121 -0.493 -4.541) 4.569 4.832 ( -0.342 1.209 1.354) 1.847 4.869 ( 0.827 -0.766 3.665) 3.834 5.234 ( 0.354 0.937 0.098) 1.007 5.262 ( 2.150 -0.008 -0.238) 2.163 5.384 ( 0.981 4.027 -0.523) 4.177 5.478 ( 1.184 1.204 -1.516) 2.270 5.578 ( 0.834 -0.450 1.527) 1.797 5.615 ( 2.658 -2.069 -0.272) 3.379 5.722 ( -0.651 1.785 -0.820) 2.069 5.780 ( -1.621 -1.448 0.722) 2.290 8.287 ( 0.031 0.546 -0.375) 0.663 8.310 ( 0.374 -0.445 -0.221) 0.621 8.364 ( 1.655 0.188 -0.576) 1.762 8.375 ( 1.119 -0.427 -0.966) 1.539 8.506 ( -1.287 0.295 -0.258) 1.345 8.557 ( -0.185 -0.957 -0.477) 1.085 8.666 ( -3.518 5.847 -2.096) 7.138 8.893 ( -7.463 -6.174 -6.891) 11.887 ======================= Grid point 49 (27/75) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.960 -3.961 3.288) 5.237 0.493 ( 0.960 3.961 3.288) 5.237 0.602 ( 1.490 -7.839 4.464) 9.143 0.602 ( 1.490 7.839 4.464) 9.143 0.795 ( 1.228 -4.670 5.191) 7.090 0.795 ( 1.228 4.670 5.191) 7.090 0.999 ( -1.397 -0.941 2.394) 2.927 0.999 ( -1.397 0.941 2.394) 2.927 1.068 ( -1.414 -6.975 3.017) 7.730 1.068 ( -1.414 6.975 3.017) 7.730 1.217 ( 0.637 -4.571 -1.761) 4.940 1.217 ( 0.637 4.571 -1.761) 4.940 1.338 ( -0.563 -6.076 -2.037) 6.433 1.338 ( -0.563 6.076 -2.037) 6.433 1.511 ( 0.114 -7.402 0.362) 7.412 1.511 ( 0.114 7.402 0.362) 7.412 1.743 ( -0.473 -0.738 -0.026) 0.877 1.743 ( -0.473 0.738 -0.026) 0.877 1.800 ( -0.375 -1.871 -0.289) 1.930 1.800 ( -0.375 1.871 -0.289) 1.930 1.935 ( 0.301 -2.432 2.338) 3.387 1.935 ( 0.301 2.432 2.338) 3.387 2.028 ( 0.215 -1.054 1.719) 2.028 2.028 ( 0.215 1.054 1.719) 2.028 2.097 ( 1.989 -2.328 -0.872) 3.184 2.097 ( 1.989 2.328 -0.872) 3.184 2.310 ( -0.151 -2.200 7.639) 7.951 2.310 ( -0.151 2.200 7.639) 7.951 2.392 ( 0.761 -2.557 -0.928) 2.824 2.392 ( 0.761 2.557 -0.928) 2.824 2.681 ( 0.782 -0.808 -2.399) 2.649 2.681 ( 0.782 0.808 -2.399) 2.649 2.747 ( -2.669 -2.301 0.725) 3.598 2.747 ( -2.669 2.301 0.725) 3.598 2.977 ( 0.102 -2.810 3.210) 4.268 2.977 ( 0.102 2.810 3.210) 4.268 3.028 ( -0.061 -1.957 5.214) 5.569 3.028 ( -0.061 1.957 5.214) 5.569 3.519 ( -0.027 -2.363 2.583) 3.501 3.519 ( -0.027 2.363 2.583) 3.501 3.593 ( 0.603 -2.271 5.267) 5.768 3.593 ( 0.603 2.271 5.267) 5.768 3.657 ( -0.407 -1.061 3.651) 3.824 3.657 ( -0.407 1.061 3.651) 3.824 3.886 ( 0.320 -1.123 -1.282) 1.734 3.886 ( 0.320 1.123 -1.282) 1.734 4.004 ( -0.329 -2.277 -0.051) 2.302 4.004 ( -0.329 2.277 -0.051) 2.302 4.159 ( -0.219 -1.467 -0.277) 1.509 4.159 ( -0.219 1.467 -0.277) 1.509 4.266 ( -0.171 -0.989 0.195) 1.022 4.266 ( -0.171 0.989 0.195) 1.022 4.622 ( 0.354 -0.705 -4.263) 4.335 4.622 ( 0.354 0.705 -4.263) 4.335 4.855 ( 0.228 -2.029 2.173) 2.982 4.855 ( 0.228 2.029 2.173) 2.982 5.263 ( 0.373 -1.598 -0.035) 1.641 5.263 ( 0.373 1.598 -0.035) 1.641 5.473 ( 0.456 -3.511 -0.974) 3.672 5.473 ( 0.456 3.511 -0.974) 3.672 5.636 ( 0.718 -1.362 -1.390) 2.074 5.636 ( 0.718 1.362 -1.390) 2.074 5.719 ( -0.950 -1.728 0.808) 2.131 5.719 ( -0.950 1.728 0.808) 2.131 8.298 ( -0.039 -0.713 -0.118) 0.724 8.298 ( -0.039 0.713 -0.118) 0.724 8.384 ( -0.008 -0.205 -1.162) 1.180 8.384 ( -0.008 0.205 -1.162) 1.180 8.546 ( 1.486 -2.212 -0.068) 2.666 8.546 ( 1.486 2.212 -0.068) 2.666 8.681 ( -2.883 -2.748 -4.046) 5.678 8.681 ( -2.883 2.748 -4.046) 5.678 ======================= Grid point 51 (28/75) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.099 -9.598 4.579) 10.635 0.506 ( 0.099 9.598 4.579) 10.635 0.674 ( 4.231 -8.932 6.081) 11.604 0.674 ( 4.231 8.932 6.081) 11.604 0.834 ( 1.477 -3.867 4.647) 6.224 0.834 ( 1.477 3.867 4.647) 6.224 0.985 ( -0.019 -2.256 0.581) 2.329 0.985 ( -0.019 2.256 0.581) 2.329 1.089 ( 2.986 -3.897 2.532) 5.524 1.089 ( 2.986 3.897 2.532) 5.524 1.232 ( 0.986 -3.363 -1.743) 3.914 1.232 ( 0.986 3.363 -1.743) 3.914 1.341 ( 1.378 -6.527 -1.413) 6.819 1.341 ( 1.378 6.527 -1.413) 6.819 1.498 ( -1.488 -5.866 0.433) 6.067 1.498 ( -1.488 5.866 0.433) 6.067 1.743 ( 0.192 -1.188 -0.786) 1.438 1.743 ( 0.192 1.188 -0.786) 1.438 1.789 ( -0.255 -3.356 0.018) 3.366 1.789 ( -0.255 3.356 0.018) 3.366 1.928 ( -1.108 -1.979 2.468) 3.352 1.928 ( -1.108 1.979 2.468) 3.352 2.036 ( 0.267 -1.509 0.036) 1.533 2.036 ( 0.267 1.509 0.036) 1.533 2.144 ( 2.515 -2.515 -0.993) 3.693 2.144 ( 2.515 2.515 -0.993) 3.693 2.311 ( -0.799 -3.852 9.167) 9.976 2.311 ( -0.799 3.852 9.167) 9.976 2.401 ( 0.160 -2.566 -1.302) 2.882 2.401 ( 0.160 2.566 -1.302) 2.882 2.666 ( -2.173 -0.584 -2.034) 3.033 2.666 ( -2.173 0.584 -2.034) 3.033 2.703 ( -0.888 -0.352 0.863) 1.287 2.703 ( -0.888 0.352 0.863) 1.287 2.977 ( -0.365 -2.116 0.786) 2.286 2.977 ( -0.365 2.116 0.786) 2.286 3.044 ( 0.614 -3.148 7.253) 7.931 3.044 ( 0.614 3.148 7.253) 7.931 3.514 ( -0.868 -2.549 2.296) 3.538 3.514 ( -0.868 2.549 2.296) 3.538 3.600 ( -0.599 -2.455 5.078) 5.672 3.600 ( -0.599 2.455 5.078) 5.672 3.655 ( -0.214 -1.016 3.465) 3.617 3.655 ( -0.214 1.016 3.465) 3.617 3.885 ( -0.250 -1.123 -1.085) 1.582 3.885 ( -0.250 1.123 -1.085) 1.582 3.997 ( -0.325 -1.948 -0.247) 1.990 3.997 ( -0.325 1.948 -0.247) 1.990 4.149 ( -0.817 -1.442 -0.471) 1.724 4.149 ( -0.817 1.442 -0.471) 1.724 4.261 ( -0.291 -0.833 0.127) 0.891 4.261 ( -0.291 0.833 0.127) 0.891 4.626 ( 0.511 -1.127 -4.238) 4.415 4.626 ( 0.511 1.127 -4.238) 4.415 4.863 ( 0.291 -2.499 2.083) 3.266 4.863 ( 0.291 2.499 2.083) 3.266 5.262 ( -0.536 -1.442 0.311) 1.569 5.262 ( -0.536 1.442 0.311) 1.569 5.471 ( -0.621 -4.429 -0.896) 4.561 5.471 ( -0.621 4.429 -0.896) 4.561 5.586 ( -3.674 -2.870 0.372) 4.677 5.586 ( -3.674 2.870 0.372) 4.677 5.738 ( 1.471 -1.097 -0.330) 1.864 5.738 ( 1.471 1.097 -0.330) 1.864 8.299 ( 0.147 -0.652 -0.179) 0.692 8.299 ( 0.147 0.652 -0.179) 0.692 8.362 ( -1.791 -0.631 -0.919) 2.110 8.362 ( -1.791 0.631 -0.919) 2.110 8.557 ( 0.350 -1.943 0.775) 2.121 8.557 ( 0.350 1.943 0.775) 2.121 8.703 ( 4.430 -3.917 -5.302) 7.942 8.703 ( 4.430 3.917 -5.302) 7.942 ======================= Grid point 53 (29/75) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.414 -7.142 5.743) 9.174 0.508 ( -0.414 7.142 5.743) 9.174 0.745 ( 1.759 -7.493 8.907) 11.771 0.745 ( 1.759 7.493 8.907) 11.771 0.853 ( 0.171 -1.505 1.706) 2.281 0.853 ( 0.171 1.505 1.706) 2.281 1.006 ( 2.236 -2.113 -1.798) 3.563 1.006 ( 2.236 2.113 -1.798) 3.563 1.159 ( 3.217 -2.755 2.240) 4.791 1.159 ( 3.217 2.755 2.240) 4.791 1.244 ( 0.470 -1.903 -1.701) 2.595 1.244 ( 0.470 1.903 -1.701) 2.595 1.388 ( 2.405 -5.827 0.544) 6.327 1.388 ( 2.405 5.827 0.544) 6.327 1.471 ( -0.230 -3.485 -0.865) 3.598 1.471 ( -0.230 3.485 -0.865) 3.598 1.742 ( -0.218 -1.838 -0.674) 1.970 1.742 ( -0.218 1.838 -0.674) 1.970 1.795 ( 0.572 -3.606 -0.231) 3.659 1.795 ( 0.572 3.606 -0.231) 3.659 1.908 ( -1.038 -2.236 1.028) 2.671 1.908 ( -1.038 2.236 1.028) 2.671 2.030 ( -0.829 -1.814 -0.104) 1.997 2.030 ( -0.829 1.814 -0.104) 1.997 2.169 ( -0.326 -1.482 -0.158) 1.526 2.169 ( -0.326 1.482 -0.158) 1.526 2.303 ( -0.950 -3.532 8.548) 9.297 2.303 ( -0.950 3.532 8.548) 9.297 2.399 ( 0.004 -2.119 -0.776) 2.257 2.399 ( 0.004 2.119 -0.776) 2.257 2.630 ( -0.992 -1.236 -0.767) 1.760 2.630 ( -0.992 1.236 -0.767) 1.760 2.707 ( 1.105 -1.003 -0.564) 1.595 2.707 ( 1.105 1.003 -0.564) 1.595 2.973 ( 0.042 -2.125 1.232) 2.457 2.973 ( 0.042 2.125 1.232) 2.457 3.057 ( -0.210 -3.092 7.143) 7.787 3.057 ( -0.210 3.092 7.143) 7.787 3.491 ( -1.658 -1.498 2.020) 3.012 3.491 ( -1.658 1.498 2.020) 3.012 3.584 ( -1.537 -1.769 4.781) 5.325 3.584 ( -1.537 1.769 4.781) 5.325 3.658 ( 0.158 -1.179 2.591) 2.851 3.658 ( 0.158 1.179 2.591) 2.851 3.875 ( -0.571 -0.788 -0.844) 1.288 3.875 ( -0.571 0.788 -0.844) 1.288 3.992 ( -0.157 -1.326 -0.315) 1.372 3.992 ( -0.157 1.326 -0.315) 1.372 4.127 ( -1.243 -1.356 -0.511) 1.909 4.127 ( -1.243 1.356 -0.511) 1.909 4.256 ( -0.304 -0.459 0.128) 0.566 4.256 ( -0.304 0.459 0.128) 0.566 4.630 ( 0.398 -1.244 -4.331) 4.524 4.630 ( 0.398 1.244 -4.331) 4.524 4.869 ( 0.106 -2.445 1.871) 3.081 4.869 ( 0.106 2.445 1.871) 3.081 5.247 ( -0.945 -0.654 0.643) 1.318 5.247 ( -0.945 0.654 0.643) 1.318 5.445 ( -1.598 -5.597 -0.971) 5.901 5.445 ( -1.598 5.597 -0.971) 5.901 5.542 ( -0.994 -2.418 1.314) 2.926 5.542 ( -0.994 2.418 1.314) 2.926 5.757 ( 0.608 -0.789 -0.387) 1.069 5.757 ( 0.608 0.789 -0.387) 1.069 8.301 ( 0.016 -0.353 -0.103) 0.368 8.301 ( 0.016 0.353 -0.103) 0.368 8.331 ( -1.008 -0.468 -0.805) 1.372 8.331 ( -1.008 0.468 -0.805) 1.372 8.574 ( 1.020 -1.654 0.777) 2.092 8.574 ( 1.020 1.654 0.777) 2.092 8.786 ( 4.271 -4.979 -5.044) 8.275 8.786 ( 4.271 4.979 -5.044) 8.275 ======================= Grid point 55 (30/75) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.165 -3.799 6.027) 7.127 0.510 ( -0.165 3.799 6.027) 7.127 0.748 ( -2.491 -5.443 6.437) 8.790 0.748 ( -2.491 5.443 6.437) 8.790 0.855 ( -0.041 -1.101 2.153) 2.418 0.855 ( -0.041 1.101 2.153) 2.418 1.050 ( 2.056 -0.634 -1.786) 2.796 1.050 ( 2.056 0.634 -1.786) 2.796 1.208 ( 1.732 -2.902 1.723) 3.794 1.208 ( 1.732 2.902 1.723) 3.794 1.248 ( 0.168 -0.741 -1.462) 1.648 1.248 ( 0.168 0.741 -1.462) 1.648 1.396 ( -0.533 -2.665 1.707) 3.209 1.396 ( -0.533 2.665 1.707) 3.209 1.510 ( 2.711 -2.911 -1.708) 4.329 1.510 ( 2.711 2.911 -1.708) 4.329 1.733 ( -0.619 -2.876 -0.508) 2.985 1.733 ( -0.619 2.876 -0.508) 2.985 1.803 ( 0.341 -2.751 -0.758) 2.874 1.803 ( 0.341 2.751 -0.758) 2.874 1.894 ( -0.385 -3.198 -0.363) 3.241 1.894 ( -0.385 3.198 -0.363) 3.241 2.008 ( -1.278 -0.773 0.582) 1.603 2.008 ( -1.278 0.773 0.582) 1.603 2.139 ( -2.173 -2.287 1.764) 3.614 2.139 ( -2.173 2.287 1.764) 3.614 2.296 ( -0.784 -1.953 5.976) 6.335 2.296 ( -0.784 1.953 5.976) 6.335 2.404 ( 0.418 -1.948 -0.021) 1.992 2.404 ( 0.418 1.948 -0.021) 1.992 2.621 ( -0.077 -1.458 -0.460) 1.531 2.621 ( -0.077 1.458 -0.460) 1.531 2.736 ( 1.740 -1.252 -1.294) 2.504 2.736 ( 1.740 1.252 -1.294) 2.504 2.983 ( 0.614 -2.690 2.531) 3.744 2.983 ( 0.614 2.690 2.531) 3.744 3.052 ( -1.094 -2.081 6.601) 7.007 3.052 ( -1.094 2.081 6.601) 7.007 3.465 ( -0.980 -0.246 1.887) 2.141 3.465 ( -0.980 0.246 1.887) 2.141 3.559 ( -1.432 -1.112 3.993) 4.385 3.559 ( -1.432 1.112 3.993) 4.385 3.665 ( 0.263 -1.089 2.332) 2.587 3.665 ( 0.263 1.089 2.332) 2.587 3.866 ( -0.275 -0.339 -0.663) 0.794 3.866 ( -0.275 0.339 -0.663) 0.794 3.991 ( 0.148 -0.836 -0.231) 0.880 3.991 ( 0.148 0.836 -0.231) 0.880 4.109 ( -0.413 -1.462 -0.258) 1.541 4.109 ( -0.413 1.462 -0.258) 1.541 4.250 ( -0.223 -0.261 0.078) 0.352 4.250 ( -0.223 0.261 0.078) 0.352 4.631 ( 0.228 -0.664 -4.462) 4.517 4.631 ( 0.228 0.664 -4.462) 4.517 4.871 ( -0.143 -2.297 1.730) 2.880 4.871 ( -0.143 2.297 1.730) 2.880 5.232 ( -0.568 -0.527 0.670) 1.025 5.232 ( -0.568 0.527 0.670) 1.025 5.421 ( -0.637 -4.884 -0.920) 5.011 5.421 ( -0.637 4.884 -0.920) 5.011 5.536 ( -0.079 -1.843 1.425) 2.331 5.536 ( -0.079 1.843 1.425) 2.331 5.765 ( 0.304 -1.124 -0.173) 1.177 5.765 ( 0.304 1.124 -0.173) 1.177 8.298 ( -0.231 -0.240 -0.055) 0.338 8.298 ( -0.231 0.240 -0.055) 0.338 8.323 ( 0.091 -0.705 -0.749) 1.033 8.323 ( 0.091 0.705 -0.749) 1.033 8.588 ( 0.118 -1.043 0.532) 1.177 8.588 ( 0.118 1.043 0.532) 1.177 8.847 ( 2.518 -5.541 -4.138) 7.359 8.847 ( 2.518 5.541 -4.138) 7.359 ======================= Grid point 57 (31/75) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.384 -4.814 5.445) 7.398 0.505 ( -1.384 4.814 5.445) 7.398 0.685 ( -4.126 -3.730 4.952) 7.447 0.685 ( -4.126 3.730 4.952) 7.447 0.853 ( -0.321 -1.627 1.567) 2.282 0.853 ( -0.321 1.627 1.567) 2.282 1.069 ( -0.090 -1.598 0.199) 1.613 1.069 ( -0.090 1.598 0.199) 1.613 1.226 ( -0.699 -2.205 1.490) 2.752 1.226 ( -0.699 2.205 1.490) 2.752 1.252 ( 0.723 -1.027 -2.359) 2.672 1.252 ( 0.723 1.027 -2.359) 2.672 1.396 ( 0.242 -1.360 1.410) 1.974 1.396 ( 0.242 1.360 1.410) 1.974 1.528 ( -0.819 -3.004 -1.401) 3.415 1.528 ( -0.819 3.004 -1.401) 3.415 1.725 ( 0.129 -2.729 0.395) 2.761 1.725 ( 0.129 2.729 0.395) 2.761 1.812 ( 0.565 -1.617 -0.381) 1.754 1.812 ( 0.565 1.617 -0.381) 1.754 1.888 ( -0.147 -4.909 -1.868) 5.254 1.888 ( -0.147 4.909 -1.868) 5.254 1.990 ( -0.486 -0.256 1.311) 1.421 1.990 ( -0.486 0.256 1.311) 1.421 2.105 ( -1.494 -2.493 2.541) 3.861 2.105 ( -1.494 2.493 2.541) 3.861 2.288 ( -0.519 -0.807 3.725) 3.847 2.288 ( -0.519 0.807 3.725) 3.847 2.409 ( -0.130 -2.294 1.355) 2.668 2.409 ( -0.130 2.294 1.355) 2.668 2.622 ( 0.193 -1.266 -0.602) 1.415 2.622 ( 0.193 1.266 -0.602) 1.415 2.761 ( 0.924 -1.495 -1.603) 2.379 2.761 ( 0.924 1.495 -1.603) 2.379 2.990 ( -0.829 -3.285 5.679) 6.613 2.990 ( -0.829 3.285 5.679) 6.613 3.040 ( -0.373 -2.848 3.722) 4.701 3.040 ( -0.373 2.848 3.722) 4.701 3.467 ( 0.931 -1.389 2.075) 2.664 3.467 ( 0.931 1.389 2.075) 2.664 3.541 ( -0.780 -1.084 3.399) 3.651 3.541 ( -0.780 1.084 3.399) 3.651 3.672 ( 0.029 -0.925 2.390) 2.563 3.672 ( 0.029 0.925 2.390) 2.563 3.864 ( 0.173 -0.274 -0.652) 0.727 3.864 ( 0.173 0.274 -0.652) 0.727 3.997 ( 0.387 -0.898 0.004) 0.978 3.997 ( 0.387 0.898 0.004) 0.978 4.116 ( 1.133 -1.596 0.065) 1.958 4.116 ( 1.133 1.596 0.065) 1.958 4.249 ( 0.123 -0.489 0.013) 0.504 4.249 ( 0.123 0.489 0.013) 0.504 4.629 ( 0.157 -0.276 -4.519) 4.530 4.629 ( 0.157 0.276 -4.519) 4.530 4.868 ( -0.443 -1.938 1.673) 2.598 4.868 ( -0.443 1.938 1.673) 2.598 5.228 ( 0.029 -0.471 0.506) 0.692 5.228 ( 0.029 0.471 0.506) 0.692 5.418 ( 0.385 -4.105 -0.974) 4.237 5.418 ( 0.385 4.105 -0.974) 4.237 5.538 ( 0.162 -1.358 1.425) 1.975 5.538 ( 0.162 1.358 1.425) 1.975 5.769 ( 0.128 -1.645 0.031) 1.651 5.769 ( 0.128 1.645 0.031) 1.651 8.296 ( 0.069 -0.239 -0.160) 0.296 8.296 ( 0.069 0.239 -0.160) 0.296 8.328 ( 0.488 -1.059 -0.561) 1.294 8.328 ( 0.488 1.059 -0.561) 1.294 8.577 ( -1.168 -0.311 0.109) 1.213 8.577 ( -1.168 0.311 0.109) 1.213 8.872 ( 0.420 -6.365 -3.376) 7.217 8.872 ( 0.420 6.365 -3.376) 7.217 ======================= Grid point 59 (32/75) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -1.618 -3.054 4.028) 5.307 0.476 ( -1.618 3.054 4.028) 5.307 0.622 ( -2.594 -1.027 5.694) 6.341 0.622 ( -2.594 1.027 5.694) 6.341 0.844 ( -1.163 -0.984 0.918) 1.778 0.844 ( -1.163 0.984 0.918) 1.778 1.052 ( -1.564 -1.551 1.719) 2.794 1.052 ( -1.564 1.551 1.719) 2.794 1.191 ( -2.871 -2.966 2.203) 4.679 1.191 ( -2.871 2.966 2.203) 4.679 1.247 ( -1.211 -1.923 -3.016) 3.776 1.247 ( -1.211 1.923 -3.016) 3.776 1.399 ( -0.630 -2.074 0.066) 2.168 1.399 ( -0.630 2.074 0.066) 2.168 1.494 ( -1.361 -4.748 -0.991) 5.038 1.494 ( -1.361 4.748 -0.991) 5.038 1.744 ( 1.464 -1.785 2.426) 3.349 1.744 ( 1.464 1.785 2.426) 3.349 1.809 ( -0.994 -1.596 -1.190) 2.225 1.809 ( -0.994 1.596 -1.190) 2.225 1.892 ( 0.883 -3.166 -1.019) 3.441 1.892 ( 0.883 3.166 -1.019) 3.441 1.996 ( 0.794 -0.504 1.476) 1.750 1.996 ( 0.794 0.504 1.476) 1.750 2.087 ( -0.717 -1.010 1.938) 2.300 2.087 ( -0.717 1.010 1.938) 2.300 2.288 ( 0.217 -0.311 2.560) 2.588 2.288 ( 0.217 0.311 2.560) 2.588 2.400 ( -0.936 -2.608 2.548) 3.764 2.400 ( -0.936 2.608 2.548) 3.764 2.632 ( 1.009 -1.128 -0.735) 1.683 2.632 ( 1.009 1.128 -0.735) 1.683 2.771 ( 0.375 -2.043 -1.429) 2.522 2.771 ( 0.375 2.043 -1.429) 2.522 2.974 ( -1.082 -2.429 7.083) 7.566 2.974 ( -1.082 2.429 7.083) 7.566 3.044 ( -0.015 -1.967 1.810) 2.673 3.044 ( -0.015 1.967 1.810) 2.673 3.493 ( 1.121 -0.685 2.459) 2.788 3.493 ( 1.121 0.685 2.459) 2.788 3.542 ( 0.582 -0.605 3.627) 3.723 3.542 ( 0.582 0.605 3.627) 3.723 3.671 ( -0.419 -0.907 2.601) 2.786 3.671 ( -0.419 0.907 2.601) 2.786 3.869 ( 0.449 -0.560 -0.907) 1.157 3.869 ( 0.449 0.560 -0.907) 1.157 4.005 ( 0.337 -1.524 0.213) 1.576 4.005 ( 0.337 1.524 0.213) 1.576 4.142 ( 1.261 -1.643 0.095) 2.073 4.142 ( 1.261 1.643 0.095) 2.073 4.256 ( 0.517 -0.725 0.105) 0.896 4.256 ( 0.517 0.725 0.105) 0.896 4.626 ( 0.106 -0.926 -4.468) 4.564 4.626 ( 0.106 0.926 -4.468) 4.564 4.859 ( -0.596 -1.239 1.728) 2.208 4.859 ( -0.596 1.239 1.728) 2.208 5.234 ( 0.615 -0.059 0.229) 0.659 5.234 ( 0.615 0.059 0.229) 0.659 5.433 ( 1.222 -3.795 -1.191) 4.161 5.433 ( 1.222 3.795 -1.191) 4.161 5.549 ( 0.948 -0.518 1.321) 1.707 5.549 ( 0.948 0.518 1.321) 1.707 5.768 ( -0.332 -1.891 0.128) 1.924 5.768 ( -0.332 1.891 0.128) 1.924 8.298 ( 0.113 -0.436 -0.259) 0.520 8.298 ( 0.113 0.436 -0.259) 0.520 8.343 ( 1.118 -0.777 -0.442) 1.432 8.343 ( 1.118 0.777 -0.442) 1.432 8.548 ( -1.587 -1.012 -0.276) 1.902 8.548 ( -1.587 1.012 -0.276) 1.902 8.852 ( -2.165 -7.319 -3.196) 8.275 8.852 ( -2.165 7.319 -3.196) 8.275 ======================= Grid point 61 (33/75) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.530 -3.239 3.317) 4.666 0.469 ( 0.530 3.239 3.317) 4.666 0.599 ( -0.841 -5.105 5.469) 7.528 0.599 ( -0.841 5.105 5.469) 7.528 0.804 ( -2.499 -2.114 2.373) 4.043 0.804 ( -2.499 2.114 2.373) 4.043 1.024 ( -1.458 -0.900 2.444) 2.984 1.024 ( -1.458 0.900 2.444) 2.984 1.124 ( -4.075 -6.338 3.168) 8.173 1.124 ( -4.075 6.338 3.168) 8.173 1.218 ( -0.743 -4.479 -2.630) 5.247 1.218 ( -0.743 4.479 -2.630) 5.247 1.365 ( -1.972 -4.532 -1.153) 5.075 1.365 ( -1.972 4.532 -1.153) 5.075 1.497 ( 1.090 -6.241 -0.621) 6.366 1.497 ( 1.090 6.241 -0.621) 6.366 1.761 ( -0.865 -0.097 1.306) 1.569 1.761 ( -0.865 0.097 1.306) 1.569 1.794 ( 0.573 -1.315 -0.080) 1.437 1.794 ( 0.573 1.315 -0.080) 1.437 1.915 ( 1.320 -1.524 0.480) 2.072 1.915 ( 1.320 1.524 0.480) 2.072 2.017 ( 0.882 -1.312 1.979) 2.533 2.017 ( 0.882 1.312 1.979) 2.533 2.080 ( -0.091 -0.791 0.605) 1.000 2.080 ( -0.091 0.791 0.605) 1.000 2.300 ( 0.442 -0.709 3.938) 4.026 2.300 ( 0.442 0.709 3.938) 4.026 2.386 ( -0.437 -2.522 1.680) 3.062 2.386 ( -0.437 2.522 1.680) 3.062 2.657 ( 1.604 -0.844 -1.272) 2.214 2.657 ( 1.604 0.844 -1.272) 2.214 2.774 ( -0.194 -2.801 -0.541) 2.859 2.774 ( -0.194 2.801 -0.541) 2.859 2.971 ( -0.136 -2.803 6.359) 6.951 2.971 ( -0.136 2.803 6.359) 6.951 3.035 ( -0.925 -1.729 1.969) 2.779 3.035 ( -0.925 1.729 1.969) 2.779 3.511 ( 0.489 -1.177 2.841) 3.113 3.511 ( 0.489 1.177 2.841) 3.113 3.568 ( 1.277 -0.948 4.580) 4.849 3.568 ( 1.277 0.948 4.580) 4.849 3.663 ( -0.644 -0.962 3.038) 3.251 3.663 ( -0.644 0.962 3.038) 3.251 3.878 ( 0.563 -0.896 -1.217) 1.613 3.878 ( 0.563 0.896 -1.217) 1.613 4.008 ( -0.034 -2.139 0.177) 2.146 4.008 ( -0.034 2.139 0.177) 2.146 4.158 ( 0.389 -1.546 -0.109) 1.598 4.158 ( 0.389 1.546 -0.109) 1.598 4.265 ( 0.295 -0.922 0.238) 0.997 4.265 ( 0.295 0.922 0.238) 0.997 4.623 ( 0.127 -0.918 -4.365) 4.462 4.623 ( 0.127 0.918 -4.365) 4.462 4.852 ( -0.255 -1.095 1.965) 2.264 4.852 ( -0.255 1.095 1.965) 2.264 5.250 ( 0.893 -0.904 -0.049) 1.271 5.250 ( 0.893 0.904 -0.049) 1.271 5.457 ( 1.245 -3.393 -1.310) 3.844 5.457 ( 1.245 3.393 -1.310) 3.844 5.586 ( 2.804 -1.302 0.437) 3.122 5.586 ( 2.804 1.302 0.437) 3.122 5.752 ( -1.440 -1.640 0.215) 2.193 5.752 ( -1.440 1.640 0.215) 2.193 8.299 ( -0.002 -0.745 -0.180) 0.766 8.299 ( -0.002 0.745 -0.180) 0.766 8.368 ( 1.439 -0.348 -0.776) 1.672 8.368 ( 1.439 0.348 -0.776) 1.672 8.528 ( -0.159 -1.813 -0.411) 1.866 8.528 ( -0.159 1.813 -0.411) 1.866 8.778 ( -4.988 -6.530 -3.481) 8.924 8.778 ( -4.988 6.530 -3.481) 8.924 ======================= Grid point 70 (34/75) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -5.865 0.000 9.145) 10.864 0.576 ( -0.451 0.000 10.481) 10.490 0.756 ( 1.690 0.000 3.870) 4.223 0.877 ( 3.282 0.000 -0.361) 3.302 0.885 ( 0.239 0.000 2.840) 2.850 0.939 ( -0.421 0.000 -0.944) 1.034 0.964 ( -1.883 0.000 15.551) 15.665 1.030 ( 0.351 0.000 6.833) 6.842 1.036 ( 1.561 0.000 1.796) 2.380 1.138 ( 1.227 0.000 -1.293) 1.782 1.148 ( -1.769 0.000 1.212) 2.145 1.181 ( -0.265 0.000 -3.267) 3.278 1.294 ( 0.883 0.000 -0.027) 0.884 1.441 ( -0.030 0.000 -2.051) 2.051 1.459 ( -0.189 0.000 1.663) 1.673 1.672 ( 1.593 0.000 -0.274) 1.616 1.672 ( -1.017 0.000 -2.992) 3.160 1.767 ( 2.605 0.000 -1.061) 2.813 1.800 ( -1.937 0.000 0.615) 2.032 1.841 ( -0.582 0.000 1.608) 1.710 1.881 ( -0.011 0.000 -2.220) 2.220 1.985 ( -3.123 0.000 -2.741) 4.155 2.052 ( 0.388 0.000 -0.865) 0.948 2.096 ( 0.433 0.000 1.986) 2.033 2.104 ( 4.003 0.000 0.511) 4.036 2.133 ( -0.301 0.000 1.548) 1.577 2.210 ( 2.095 0.000 -4.459) 4.927 2.323 ( 0.510 0.000 -5.546) 5.569 2.444 ( -0.688 0.000 7.887) 7.917 2.595 ( 1.213 0.000 -0.307) 1.251 2.599 ( -1.480 0.000 2.047) 2.526 2.648 ( -0.881 0.000 -0.816) 1.201 2.737 ( 0.731 0.000 1.359) 1.543 2.841 ( -1.169 0.000 2.438) 2.703 2.890 ( 1.355 0.000 0.572) 1.471 2.985 ( -2.002 0.000 -3.125) 3.712 3.212 ( 0.127 0.000 14.993) 14.993 3.334 ( -0.726 0.000 14.223) 14.241 3.535 ( -1.037 0.000 3.465) 3.617 3.576 ( 1.768 0.000 1.201) 2.137 3.645 ( -0.368 0.000 4.278) 4.294 3.682 ( -0.118 0.000 0.257) 0.283 3.746 ( -1.063 0.000 3.728) 3.876 3.795 ( -0.039 0.000 -1.532) 1.532 3.865 ( 1.446 0.000 0.411) 1.503 3.925 ( 1.355 0.000 -0.637) 1.497 3.950 ( -0.149 0.000 -1.520) 1.527 4.043 ( -0.279 0.000 -1.934) 1.954 4.115 ( -0.662 0.000 -0.021) 0.662 4.214 ( -1.318 0.000 0.574) 1.438 4.272 ( 1.252 0.000 -0.623) 1.399 4.296 ( -0.313 0.000 0.155) 0.349 4.482 ( -0.187 0.000 -7.247) 7.250 4.509 ( 1.444 0.000 -7.575) 7.711 4.871 ( -0.399 0.000 2.964) 2.991 5.023 ( 3.573 0.000 -1.140) 3.750 5.221 ( -0.835 0.000 0.705) 1.093 5.285 ( 1.110 0.000 -1.110) 1.570 5.349 ( -0.157 0.000 0.500) 0.524 5.437 ( 0.284 0.000 -1.352) 1.381 5.633 ( 0.841 0.000 0.806) 1.165 5.638 ( -2.193 0.000 -0.635) 2.283 5.669 ( 0.022 0.000 1.956) 1.956 5.776 ( -1.142 0.000 0.633) 1.305 8.275 ( 0.237 0.000 -0.330) 0.406 8.304 ( -0.164 0.000 -1.069) 1.082 8.341 ( -1.963 0.000 0.067) 1.965 8.367 ( 0.371 0.000 -0.854) 0.931 8.497 ( 1.495 0.000 -0.045) 1.495 8.505 ( -1.728 0.000 0.171) 1.736 8.608 ( 2.016 0.000 0.356) 2.047 8.670 ( -4.009 0.000 -2.136) 4.543 ======================= Grid point 71 (35/75) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 9.668 0.000 8.537) 12.898 0.620 ( 3.384 0.000 8.402) 9.058 0.801 ( 2.110 0.000 5.041) 5.464 0.893 ( 0.269 0.000 2.278) 2.294 0.919 ( 1.098 0.000 -0.407) 1.171 0.932 ( -2.943 0.000 10.301) 10.713 0.975 ( 3.288 0.000 -0.099) 3.289 1.052 ( 0.617 0.000 6.692) 6.720 1.091 ( 3.425 0.000 1.057) 3.584 1.125 ( -0.495 0.000 1.551) 1.628 1.175 ( -0.084 0.000 -3.702) 3.702 1.195 ( 4.122 0.000 4.015) 5.755 1.325 ( 2.501 0.000 -0.025) 2.501 1.438 ( 0.081 0.000 -2.179) 2.180 1.446 ( -1.132 0.000 0.848) 1.414 1.641 ( -1.556 0.000 -2.244) 2.731 1.681 ( -0.920 0.000 0.116) 0.927 1.753 ( -2.869 0.000 1.626) 3.298 1.819 ( 2.566 0.000 -1.503) 2.974 1.833 ( -0.376 0.000 1.741) 1.781 1.867 ( -1.337 0.000 -1.359) 1.906 1.927 ( -1.912 0.000 -4.950) 5.307 2.039 ( -1.510 0.000 -1.487) 2.119 2.100 ( -0.199 0.000 2.172) 2.182 2.124 ( -1.139 0.000 1.920) 2.232 2.163 ( 2.303 0.000 -1.022) 2.520 2.240 ( 1.387 0.000 -4.322) 4.539 2.318 ( -0.327 0.000 -5.992) 6.001 2.438 ( -0.817 0.000 6.350) 6.402 2.579 ( -0.870 0.000 0.456) 0.983 2.610 ( -1.578 0.000 -0.174) 1.587 2.630 ( 1.201 0.000 -0.367) 1.256 2.737 ( -0.886 0.000 2.591) 2.738 2.818 ( -1.152 0.000 5.278) 5.403 2.923 ( 1.552 0.000 0.794) 1.744 2.949 ( -0.832 0.000 -3.944) 4.030 3.238 ( 0.313 0.000 15.531) 15.534 3.338 ( -0.355 0.000 12.549) 12.554 3.515 ( -1.446 0.000 3.213) 3.523 3.598 ( -0.062 0.000 1.258) 1.260 3.639 ( -0.761 0.000 4.442) 4.507 3.683 ( 0.198 0.000 0.126) 0.235 3.726 ( -1.311 0.000 4.025) 4.233 3.798 ( 0.589 0.000 -1.519) 1.629 3.862 ( -2.105 0.000 1.052) 2.353 3.927 ( -0.709 0.000 0.526) 0.882 3.949 ( 0.228 0.000 -1.903) 1.916 4.030 ( -0.778 0.000 -2.216) 2.348 4.098 ( -1.073 0.000 -0.169) 1.086 4.184 ( -1.737 0.000 0.422) 1.787 4.276 ( -1.056 0.000 0.310) 1.100 4.290 ( 0.124 0.000 0.049) 0.133 4.470 ( 0.059 0.000 -7.597) 7.598 4.529 ( 1.279 0.000 -7.361) 7.471 4.865 ( -0.491 0.000 2.735) 2.779 5.056 ( -0.371 0.000 -1.902) 1.938 5.203 ( -0.990 0.000 0.474) 1.097 5.266 ( -2.339 0.000 0.354) 2.365 5.351 ( 0.095 0.000 0.583) 0.591 5.442 ( 0.388 0.000 -1.416) 1.468 5.610 ( 0.033 0.000 -0.217) 0.219 5.641 ( -0.302 0.000 0.479) 0.566 5.669 ( -0.239 0.000 2.813) 2.823 5.767 ( -0.084 0.000 0.432) 0.440 8.279 ( 0.313 0.000 -0.159) 0.351 8.292 ( -0.766 0.000 -0.965) 1.231 8.310 ( -0.940 0.000 0.317) 0.992 8.358 ( -1.191 0.000 -0.658) 1.360 8.504 ( 1.517 0.000 -0.059) 1.518 8.535 ( 1.966 0.000 0.975) 2.194 8.658 ( 2.844 0.000 0.682) 2.924 8.666 ( 3.345 0.000 -4.135) 5.318 ======================= Grid point 72 (36/75) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 9.630 0.000 5.006) 10.853 0.697 ( 3.021 0.000 3.628) 4.721 0.854 ( 2.346 0.000 6.157) 6.589 0.866 ( -4.053 0.000 6.984) 8.075 0.900 ( 0.752 0.000 2.534) 2.643 0.937 ( 0.282 0.000 0.046) 0.286 1.020 ( 0.502 0.000 0.551) 0.746 1.076 ( 1.473 0.000 6.674) 6.834 1.124 ( 1.045 0.000 2.279) 2.507 1.163 ( 2.783 0.000 1.088) 2.988 1.174 ( 0.537 0.000 -1.731) 1.812 1.281 ( 3.593 0.000 5.205) 6.324 1.388 ( 3.786 0.000 -0.918) 3.896 1.425 ( -0.965 0.000 0.314) 1.015 1.442 ( 0.836 0.000 -3.026) 3.140 1.611 ( -1.454 0.000 -1.807) 2.319 1.632 ( -4.080 0.000 -0.746) 4.148 1.712 ( -1.195 0.000 3.130) 3.350 1.817 ( -3.065 0.000 -4.169) 5.174 1.831 ( -0.142 0.000 2.787) 2.791 1.840 ( 0.089 0.000 -2.657) 2.658 1.932 ( 2.029 0.000 -1.371) 2.449 1.992 ( -3.004 0.000 -2.059) 3.642 2.096 ( -1.746 0.000 1.282) 2.166 2.103 ( 0.729 0.000 0.814) 1.092 2.183 ( -0.430 0.000 -0.078) 0.437 2.254 ( 0.716 0.000 -4.610) 4.665 2.300 ( -0.640 0.000 -6.619) 6.650 2.434 ( -0.285 0.000 6.029) 6.036 2.566 ( -0.457 0.000 0.896) 1.006 2.587 ( -0.329 0.000 -0.153) 0.363 2.645 ( 0.039 0.000 -0.624) 0.626 2.729 ( 0.275 0.000 2.934) 2.947 2.813 ( -0.350 0.000 7.214) 7.223 2.940 ( 0.202 0.000 -1.047) 1.066 2.960 ( 2.257 0.000 -1.921) 2.964 3.250 ( -1.043 0.000 16.074) 16.108 3.350 ( -0.238 0.000 12.502) 12.504 3.490 ( -1.095 0.000 1.868) 2.166 3.567 ( -3.156 0.000 1.406) 3.455 3.629 ( -0.807 0.000 4.432) 4.505 3.689 ( 0.359 0.000 0.195) 0.408 3.714 ( -0.255 0.000 3.069) 3.080 3.787 ( -5.283 0.000 3.577) 6.380 3.812 ( 0.886 0.000 -0.935) 1.288 3.916 ( -0.599 0.000 1.760) 1.859 3.952 ( 0.349 0.000 -2.172) 2.200 4.011 ( -0.820 0.000 -2.184) 2.333 4.075 ( -1.146 0.000 0.014) 1.146 4.154 ( -1.171 0.000 0.331) 1.217 4.259 ( -0.625 0.000 0.478) 0.787 4.283 ( -0.989 0.000 0.537) 1.126 4.469 ( 0.728 0.000 -7.872) 7.905 4.536 ( 0.272 0.000 -7.457) 7.462 4.861 ( -0.172 0.000 2.745) 2.750 5.020 ( -2.349 0.000 1.017) 2.560 5.189 ( -0.443 0.000 0.259) 0.513 5.234 ( -0.914 0.000 0.495) 1.040 5.353 ( 0.103 0.000 0.908) 0.914 5.448 ( 0.364 0.000 -1.456) 1.501 5.624 ( -1.307 0.000 0.744) 1.504 5.628 ( 1.362 0.000 -1.517) 2.039 5.668 ( -0.284 0.000 3.362) 3.374 5.770 ( 0.417 0.000 0.257) 0.490 8.280 ( -0.343 0.000 -0.824) 0.892 8.289 ( 0.706 0.000 -0.633) 0.948 8.298 ( -0.480 0.000 -0.120) 0.495 8.330 ( -1.438 0.000 -0.086) 1.440 8.545 ( 2.330 0.000 -0.517) 2.387 8.575 ( 1.906 0.000 0.553) 1.985 8.708 ( 1.992 0.000 0.684) 2.106 8.748 ( 5.023 0.000 -6.265) 8.030 ======================= Grid point 73 (37/75) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -4.150 0.000 2.898) 5.062 0.742 ( 1.615 0.000 1.673) 2.325 0.846 ( 1.647 0.000 3.994) 4.320 0.850 ( -2.267 0.000 1.281) 2.604 0.941 ( 0.482 0.000 2.150) 2.204 0.967 ( 3.648 0.000 7.058) 7.945 0.991 ( -3.385 0.000 1.576) 3.734 1.121 ( 1.741 0.000 8.006) 8.193 1.149 ( 1.048 0.000 2.318) 2.544 1.187 ( 0.717 0.000 -1.378) 1.553 1.218 ( 3.219 0.000 1.532) 3.565 1.333 ( 1.114 0.000 3.947) 4.101 1.408 ( -1.035 0.000 0.821) 1.321 1.450 ( 1.997 0.000 -1.689) 2.616 1.468 ( 1.755 0.000 -3.972) 4.342 1.541 ( -3.724 0.000 -1.763) 4.120 1.573 ( -2.092 0.000 -2.403) 3.186 1.719 ( 1.382 0.000 4.461) 4.670 1.760 ( -1.753 0.000 -5.541) 5.811 1.833 ( 0.011 0.000 3.752) 3.752 1.845 ( 0.763 0.000 -1.753) 1.912 1.927 ( -3.114 0.000 -1.820) 3.607 1.957 ( 0.612 0.000 -0.243) 0.659 2.063 ( -1.761 0.000 -0.062) 1.762 2.128 ( 1.299 0.000 -1.435) 1.936 2.155 ( -1.969 0.000 2.228) 2.973 2.250 ( -0.738 0.000 -5.627) 5.675 2.295 ( 1.399 0.000 -5.699) 5.868 2.436 ( -0.372 0.000 6.887) 6.897 2.567 ( 0.347 0.000 2.054) 2.083 2.590 ( 0.233 0.000 0.031) 0.235 2.633 ( -0.876 0.000 -1.632) 1.852 2.755 ( 1.703 0.000 1.894) 2.547 2.816 ( -0.312 0.000 7.860) 7.866 2.934 ( -0.652 0.000 -0.083) 0.657 3.012 ( 2.872 0.000 -2.132) 3.577 3.241 ( -1.740 0.000 15.787) 15.882 3.345 ( -1.833 0.000 13.552) 13.676 3.493 ( 1.386 0.000 0.942) 1.676 3.499 ( -3.378 0.000 1.485) 3.690 3.617 ( -1.057 0.000 4.349) 4.476 3.695 ( 0.180 0.000 0.271) 0.326 3.700 ( -3.510 0.000 4.698) 5.865 3.720 ( 0.407 0.000 2.074) 2.114 3.825 ( 0.377 0.000 -0.494) 0.621 3.906 ( -0.677 0.000 2.237) 2.337 3.959 ( 0.746 0.000 -2.077) 2.207 3.998 ( -0.188 0.000 -1.987) 1.996 4.060 ( -0.258 0.000 0.330) 0.419 4.145 ( 0.232 0.000 0.401) 0.463 4.250 ( -0.580 0.000 0.304) 0.654 4.261 ( -0.843 0.000 0.554) 1.009 4.479 ( 1.232 0.000 -8.215) 8.307 4.524 ( -0.490 0.000 -7.374) 7.390 4.864 ( 0.064 0.000 2.978) 2.978 4.984 ( -1.559 0.000 2.011) 2.544 5.189 ( 0.428 0.000 0.157) 0.456 5.224 ( -0.338 0.000 0.012) 0.338 5.357 ( 0.132 0.000 0.985) 0.994 5.451 ( 0.133 0.000 -1.404) 1.410 5.600 ( -1.166 0.000 1.250) 1.709 5.649 ( 0.915 0.000 -1.644) 1.882 5.665 ( -0.472 0.000 3.330) 3.363 5.784 ( 0.958 0.000 0.109) 0.964 8.279 ( 0.399 0.000 -0.655) 0.767 8.283 ( -0.687 0.000 -0.644) 0.941 8.306 ( -0.995 0.000 0.151) 1.006 8.309 ( 1.060 0.000 -0.496) 1.171 8.582 ( 1.359 0.000 -0.679) 1.519 8.599 ( 0.468 0.000 -0.415) 0.625 8.729 ( 0.021 0.000 0.390) 0.391 8.830 ( 4.048 0.000 -6.494) 7.652 ======================= Grid point 74 (38/75) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -5.772 0.000 3.676) 6.843 0.755 ( -1.320 0.000 0.891) 1.593 0.810 ( -1.148 0.000 3.050) 3.259 0.860 ( -0.255 0.000 -1.322) 1.347 0.908 ( -4.822 0.000 2.954) 5.655 0.957 ( 0.096 0.000 8.180) 8.180 1.014 ( 0.522 0.000 6.552) 6.573 1.139 ( -1.237 0.000 8.752) 8.839 1.168 ( 0.468 0.000 -1.128) 1.221 1.190 ( -0.241 0.000 -1.689) 1.706 1.281 ( 1.225 0.000 3.560) 3.765 1.329 ( -2.032 0.000 1.790) 2.708 1.379 ( -1.287 0.000 2.389) 2.714 1.416 ( -3.743 0.000 -3.032) 4.817 1.476 ( 0.136 0.000 -2.148) 2.153 1.548 ( 2.444 0.000 -3.439) 4.218 1.549 ( 0.780 0.000 -3.583) 3.667 1.740 ( 0.072 0.000 -5.343) 5.344 1.773 ( 3.613 0.000 5.419) 6.513 1.839 ( -0.035 0.000 4.128) 4.129 1.859 ( 0.637 0.000 -0.459) 0.785 1.885 ( -0.846 0.000 -0.967) 1.285 1.971 ( 1.320 0.000 -1.222) 1.798 2.026 ( -1.756 0.000 -1.015) 2.028 2.131 ( -0.765 0.000 -2.262) 2.388 2.131 ( -0.724 0.000 2.890) 2.979 2.224 ( -1.036 0.000 -6.397) 6.480 2.324 ( 1.487 0.000 -4.061) 4.324 2.441 ( 0.062 0.000 8.014) 8.014 2.580 ( 0.621 0.000 3.060) 3.122 2.581 ( -1.072 0.000 -0.452) 1.164 2.621 ( -0.026 0.000 -1.627) 1.627 2.782 ( 0.679 0.000 -0.119) 0.689 2.815 ( -0.799 0.000 7.502) 7.545 2.917 ( -1.099 0.000 0.396) 1.169 3.047 ( 0.760 0.000 -2.380) 2.499 3.224 ( -1.689 0.000 15.269) 15.362 3.324 ( -1.799 0.000 14.503) 14.614 3.464 ( -0.102 0.000 1.453) 1.457 3.532 ( 1.766 0.000 1.843) 2.552 3.603 ( -0.403 0.000 3.338) 3.362 3.674 ( 0.101 0.000 5.405) 5.406 3.696 ( -0.069 0.000 0.444) 0.450 3.732 ( 0.607 0.000 1.480) 1.600 3.824 ( -0.318 0.000 -0.425) 0.531 3.896 ( -0.646 0.000 2.161) 2.255 3.970 ( 0.219 0.000 -1.181) 1.201 4.005 ( 1.217 0.000 -2.120) 2.444 4.071 ( 1.263 0.000 0.432) 1.335 4.165 ( 1.741 0.000 0.559) 1.829 4.235 ( -0.589 0.000 0.065) 0.593 4.259 ( 0.286 0.000 0.292) 0.408 4.492 ( 0.733 0.000 -8.275) 8.307 4.507 ( -0.013 0.000 -7.195) 7.195 4.869 ( 0.026 0.000 3.232) 3.232 4.960 ( -1.258 0.000 2.146) 2.487 5.204 ( 0.947 0.000 0.213) 0.970 5.220 ( 0.028 0.000 -0.197) 0.199 5.360 ( -0.029 0.000 0.890) 0.891 5.448 ( -0.251 0.000 -1.299) 1.323 5.586 ( -0.310 0.000 1.304) 1.340 5.659 ( 0.442 0.000 -1.359) 1.429 5.659 ( -0.405 0.000 3.095) 3.121 5.804 ( 0.938 0.000 -0.063) 0.940 8.271 ( -0.482 0.000 -0.667) 0.823 8.293 ( 0.009 0.000 0.014) 0.017 8.294 ( 0.770 0.000 -0.495) 0.916 8.329 ( 1.002 0.000 -0.603) 1.169 8.589 ( -1.393 0.000 -1.006) 1.718 8.593 ( -0.059 0.000 -0.564) 0.567 8.708 ( -2.200 0.000 -0.073) 2.202 8.882 ( 1.939 0.000 -6.576) 6.856 ======================= Grid point 75 (39/75) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -2.380 0.000 4.753) 5.315 0.700 ( -4.064 0.000 2.831) 4.953 0.776 ( -3.539 0.000 6.999) 7.842 0.843 ( -1.280 0.000 -0.706) 1.462 0.860 ( 0.078 0.000 1.460) 1.462 0.963 ( -0.473 0.000 10.824) 10.835 1.020 ( -0.313 0.000 5.148) 5.158 1.103 ( -3.103 0.000 8.676) 9.214 1.134 ( -4.694 0.000 -2.323) 5.237 1.177 ( -0.966 0.000 -2.182) 2.386 1.235 ( -3.376 0.000 1.387) 3.650 1.268 ( -4.006 0.000 1.423) 4.251 1.337 ( -3.883 0.000 -2.350) 4.539 1.409 ( 2.288 0.000 4.145) 4.735 1.459 ( -1.278 0.000 -2.193) 2.538 1.590 ( 2.335 0.000 -2.722) 3.587 1.596 ( 3.840 0.000 -2.781) 4.741 1.738 ( 0.181 0.000 -5.033) 5.036 1.833 ( -0.414 0.000 4.276) 4.296 1.867 ( 0.379 0.000 -0.152) 0.409 1.872 ( 1.223 0.000 4.760) 4.915 1.881 ( 3.874 0.000 -0.228) 3.881 2.009 ( 0.336 0.000 -1.642) 1.676 2.009 ( 2.594 0.000 -1.509) 3.001 2.105 ( -1.545 0.000 -0.955) 1.816 2.134 ( 0.483 0.000 1.993) 2.050 2.195 ( -1.008 0.000 -6.343) 6.422 2.329 ( -0.310 0.000 -4.223) 4.234 2.452 ( -0.264 0.000 8.860) 8.864 2.567 ( 0.054 0.000 -0.810) 0.812 2.601 ( 1.291 0.000 3.805) 4.018 2.626 ( 0.701 0.000 -1.318) 1.492 2.762 ( -2.656 0.000 0.478) 2.699 2.822 ( 1.000 0.000 3.616) 3.752 2.896 ( -1.056 0.000 0.550) 1.191 3.043 ( -0.558 0.000 -2.639) 2.697 3.213 ( -1.374 0.000 14.584) 14.649 3.317 ( -0.752 0.000 15.955) 15.972 3.490 ( 2.145 0.000 1.386) 2.554 3.550 ( -0.013 0.000 2.948) 2.948 3.620 ( 1.362 0.000 2.396) 2.756 3.693 ( -0.332 0.000 0.535) 0.630 3.713 ( 3.242 0.000 5.725) 6.579 3.745 ( 0.537 0.000 1.496) 1.589 3.815 ( -0.581 0.000 -0.470) 0.748 3.888 ( -0.272 0.000 1.511) 1.535 3.966 ( -0.320 0.000 -0.940) 0.993 4.029 ( 1.253 0.000 -1.739) 2.143 4.100 ( 1.439 0.000 0.344) 1.480 4.204 ( 1.831 0.000 0.637) 1.938 4.233 ( 0.311 0.000 -0.109) 0.329 4.271 ( 0.875 0.000 0.132) 0.885 4.484 ( -0.026 0.000 -7.119) 7.119 4.510 ( 0.659 0.000 -8.049) 8.076 4.872 ( -0.131 0.000 3.340) 3.342 4.943 ( -0.581 0.000 2.431) 2.499 5.222 ( 0.766 0.000 0.461) 0.894 5.227 ( 0.771 0.000 -0.281) 0.821 5.358 ( -0.198 0.000 0.693) 0.721 5.440 ( -0.333 0.000 -1.260) 1.303 5.592 ( 0.683 0.000 0.983) 1.197 5.658 ( -0.050 0.000 2.708) 2.709 5.664 ( 0.263 0.000 -1.222) 1.250 5.815 ( 0.080 0.000 -0.193) 0.209 8.265 ( 0.050 0.000 -0.720) 0.722 8.292 ( 0.250 0.000 -0.275) 0.371 8.321 ( 1.648 0.000 -0.553) 1.738 8.346 ( 0.854 0.000 -0.623) 1.057 8.548 ( -2.512 0.000 -1.059) 2.726 8.582 ( -0.892 0.000 -0.127) 0.901 8.650 ( -3.561 0.000 -0.540) 3.602 8.878 ( -1.766 0.000 -7.059) 7.276 ======================= Grid point 76 (40/75) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -3.998 0.000 5.918) 7.142 0.616 ( -4.492 0.000 8.495) 9.609 0.740 ( -0.675 0.000 4.576) 4.626 0.825 ( 0.578 0.000 0.240) 0.626 0.874 ( 0.626 0.000 2.571) 2.646 0.968 ( -0.529 0.000 14.036) 14.046 1.000 ( -4.320 0.000 -0.698) 4.376 1.030 ( -1.906 0.000 1.935) 2.716 1.051 ( -3.275 0.000 9.939) 10.465 1.143 ( -1.282 0.000 -4.414) 4.597 1.186 ( -2.275 0.000 0.965) 2.471 1.206 ( -2.178 0.000 -0.536) 2.243 1.288 ( -0.633 0.000 -0.781) 1.005 1.442 ( -0.068 0.000 -2.310) 2.311 1.447 ( 1.114 0.000 2.782) 2.996 1.632 ( 2.304 0.000 -1.581) 2.794 1.663 ( 2.678 0.000 -2.167) 3.445 1.736 ( 0.516 0.000 -3.513) 3.550 1.825 ( -0.811 0.000 2.256) 2.397 1.854 ( -1.179 0.000 1.411) 1.839 1.876 ( 0.591 0.000 -1.171) 1.311 2.002 ( 5.933 0.000 2.944) 6.623 2.030 ( 1.749 0.000 -1.283) 2.169 2.038 ( -0.956 0.000 -2.291) 2.482 2.081 ( 0.149 0.000 1.973) 1.978 2.139 ( -0.288 0.000 1.217) 1.251 2.183 ( 0.818 0.000 -5.579) 5.639 2.319 ( 0.233 0.000 -5.235) 5.240 2.449 ( -0.875 0.000 8.792) 8.835 2.578 ( 0.831 0.000 -0.681) 1.074 2.624 ( -0.529 0.000 4.633) 4.663 2.643 ( 1.099 0.000 -1.032) 1.507 2.721 ( -0.315 0.000 -0.389) 0.501 2.844 ( 0.566 0.000 1.702) 1.794 2.881 ( -0.417 0.000 0.541) 0.683 3.022 ( -1.327 0.000 -2.758) 3.061 3.205 ( -1.143 0.000 14.505) 14.550 3.327 ( -0.394 0.000 15.959) 15.963 3.536 ( 2.210 0.000 1.251) 2.539 3.547 ( -0.603 0.000 3.162) 3.219 3.642 ( 0.383 0.000 3.404) 3.425 3.686 ( -0.359 0.000 0.451) 0.577 3.753 ( -0.044 0.000 2.368) 2.369 3.802 ( 4.667 0.000 2.867) 5.477 3.802 ( -0.534 0.000 -0.813) 0.973 3.895 ( 1.014 0.000 0.741) 1.255 3.958 ( -0.427 0.000 -1.114) 1.193 4.044 ( 0.467 0.000 -1.670) 1.734 4.119 ( 0.370 0.000 0.162) 0.404 4.226 ( 0.199 0.000 0.700) 0.727 4.247 ( 1.187 0.000 -0.247) 1.213 4.289 ( 0.838 0.000 0.076) 0.842 4.483 ( 0.769 0.000 -6.825) 6.868 4.506 ( 0.066 0.000 -8.138) 8.138 4.873 ( -0.201 0.000 3.232) 3.238 4.958 ( 2.143 0.000 2.075) 2.983 5.230 ( -0.056 0.000 0.725) 0.727 5.251 ( 1.778 0.000 -0.392) 1.821 5.354 ( -0.292 0.000 0.523) 0.599 5.435 ( -0.003 0.000 -1.308) 1.308 5.612 ( 1.172 0.000 0.756) 1.395 5.663 ( 0.233 0.000 2.198) 2.211 5.664 ( -0.336 0.000 -1.367) 1.407 5.803 ( -1.231 0.000 -0.036) 1.232 8.270 ( 0.368 0.000 -0.612) 0.714 8.300 ( 0.567 0.000 -0.775) 0.960 8.351 ( 1.359 0.000 -0.641) 1.503 8.358 ( 0.323 0.000 -0.821) 0.882 8.501 ( -1.833 0.000 -0.513) 1.903 8.555 ( -2.585 0.000 0.363) 2.611 8.593 ( -1.029 0.000 -0.573) 1.178 8.791 ( -6.217 0.000 -5.707) 8.439 ======================= Grid point 77 (41/75) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -2.493 7.456 7.336) 10.753 0.624 ( 0.294 4.120 9.362) 10.233 0.711 ( 1.044 -4.077 5.996) 7.325 0.840 ( 1.541 -5.715 1.770) 6.178 0.867 ( 0.370 -0.476 2.003) 2.092 0.934 ( 2.986 -4.291 5.433) 7.540 0.969 ( -0.221 2.944 -0.281) 2.965 1.038 ( -2.185 4.480 7.668) 9.145 1.060 ( 0.356 1.033 3.277) 3.454 1.134 ( -1.570 -0.571 0.726) 1.822 1.160 ( 1.146 2.993 0.839) 3.313 1.224 ( -0.963 2.643 -2.395) 3.694 1.357 ( 0.319 4.633 1.954) 5.038 1.393 ( 0.488 -2.684 -0.434) 2.762 1.429 ( -0.366 -4.159 0.781) 4.247 1.615 ( -0.060 -4.607 -1.073) 4.731 1.706 ( 0.558 1.640 -1.242) 2.131 1.755 ( 1.347 -1.156 -1.241) 2.166 1.791 ( -1.836 -0.421 0.616) 1.982 1.827 ( -0.606 -1.331 0.888) 1.711 1.889 ( 0.818 1.115 -1.961) 2.400 1.973 ( -2.056 -1.849 -3.025) 4.098 2.046 ( 0.192 -0.212 0.452) 0.535 2.086 ( 1.420 -1.538 0.888) 2.274 2.093 ( 1.396 -0.599 1.466) 2.111 2.112 ( 0.054 -1.063 0.816) 1.341 2.232 ( 2.232 1.956 -4.334) 5.252 2.304 ( 1.181 -1.808 -5.180) 5.612 2.466 ( -1.032 2.169 6.519) 6.947 2.560 ( -1.245 -2.520 3.161) 4.230 2.624 ( 0.671 1.373 -0.515) 1.613 2.649 ( -0.226 -0.213 -1.091) 1.134 2.744 ( -0.038 1.426 2.125) 2.560 2.826 ( -1.146 -1.668 2.749) 3.414 2.923 ( 0.653 2.795 -0.521) 2.917 2.983 ( -1.584 -0.380 -2.697) 3.151 3.229 ( 0.154 1.947 15.050) 15.176 3.317 ( -0.469 -1.865 14.512) 14.639 3.541 ( -0.940 0.811 3.038) 3.281 3.573 ( 1.092 -0.375 1.232) 1.689 3.653 ( 0.079 0.878 3.667) 3.771 3.696 ( -0.280 1.509 1.460) 2.118 3.728 ( -0.732 -1.862 3.731) 4.233 3.801 ( 0.890 -1.319 -1.898) 2.477 3.837 ( 0.615 -1.005 1.901) 2.236 3.900 ( 0.633 -1.563 0.528) 1.767 3.968 ( -0.181 1.379 -0.990) 1.707 4.028 ( -0.415 -1.496 -1.430) 2.110 4.127 ( -0.530 1.204 -0.061) 1.316 4.198 ( -0.670 -2.013 0.524) 2.185 4.262 ( 0.229 -0.377 0.068) 0.446 4.284 ( -0.134 -0.898 0.085) 0.912 4.488 ( 0.055 0.555 -7.337) 7.358 4.507 ( 1.167 -0.277 -7.593) 7.687 4.875 ( -0.252 0.636 2.578) 2.667 4.960 ( 1.335 -4.481 1.091) 4.801 5.240 ( -0.120 1.206 0.169) 1.223 5.288 ( 1.241 -1.054 -0.743) 1.789 5.379 ( -0.112 3.777 -0.672) 3.838 5.459 ( 0.845 1.049 -2.290) 2.657 5.616 ( -0.938 -0.745 0.905) 1.501 5.634 ( 0.577 -0.427 -0.357) 0.802 5.699 ( -0.573 2.271 1.205) 2.634 5.765 ( -0.985 -1.189 0.682) 1.688 8.281 ( 0.143 0.637 -0.244) 0.697 8.305 ( -0.067 -0.217 -0.516) 0.564 8.346 ( -1.028 0.555 -0.958) 1.511 8.365 ( 0.321 -0.291 -1.005) 1.094 8.510 ( 1.810 1.545 0.049) 2.380 8.541 ( -1.626 3.292 -1.146) 3.846 8.592 ( 1.191 -1.489 0.312) 1.932 8.657 ( -3.655 -1.586 -2.344) 4.622 ======================= Grid point 78 (42/75) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 5.213 6.254 8.124) 11.502 0.679 ( 3.899 5.152 5.942) 8.778 0.751 ( 2.320 -4.508 7.130) 8.748 0.876 ( 0.771 -2.633 2.114) 3.464 0.891 ( 2.076 -1.288 0.697) 2.541 0.958 ( -1.738 0.492 6.896) 7.129 0.989 ( 1.850 1.261 0.248) 2.252 1.013 ( -0.251 -2.729 4.817) 5.542 1.106 ( 2.522 1.013 1.720) 3.216 1.127 ( 1.466 1.920 0.698) 2.514 1.197 ( 1.354 1.573 2.552) 3.290 1.218 ( 1.736 2.875 -0.765) 3.445 1.364 ( 0.068 -0.263 3.081) 3.093 1.396 ( 0.243 1.011 -1.660) 1.959 1.431 ( 0.638 -3.403 -0.703) 3.533 1.583 ( -2.426 -4.882 -0.587) 5.483 1.715 ( 0.094 2.189 -0.452) 2.237 1.749 ( -1.813 0.328 0.913) 2.056 1.788 ( 1.328 -2.291 0.232) 2.658 1.825 ( 0.229 -1.574 0.038) 1.591 1.891 ( -1.404 1.917 -1.639) 2.887 1.922 ( -1.384 -0.478 -4.318) 4.560 2.027 ( -2.089 -0.674 -0.385) 2.228 2.086 ( -0.210 -1.996 1.065) 2.273 2.118 ( 0.908 0.010 0.738) 1.170 2.150 ( 2.292 -0.934 -0.719) 2.577 2.263 ( 1.245 1.997 -3.775) 4.448 2.315 ( 0.338 -0.515 -5.588) 5.622 2.451 ( -1.191 1.437 5.640) 5.941 2.543 ( -0.793 -3.104 1.888) 3.718 2.619 ( -1.916 0.750 -0.572) 2.135 2.638 ( 0.333 0.384 -0.509) 0.719 2.741 ( -0.610 0.809 3.135) 3.294 2.804 ( -1.090 -1.540 5.255) 5.584 2.939 ( 0.797 1.368 -0.214) 1.598 2.955 ( -0.569 0.477 -3.090) 3.178 3.253 ( 0.117 1.655 15.356) 15.445 3.325 ( -0.293 -1.417 13.269) 13.348 3.523 ( -1.312 1.032 2.693) 3.168 3.583 ( -0.432 -1.435 1.297) 1.982 3.652 ( -0.580 1.276 3.788) 4.039 3.693 ( -0.157 0.991 1.236) 1.592 3.715 ( -0.925 -0.881 3.632) 3.850 3.807 ( -0.385 -2.028 -1.131) 2.353 3.830 ( -1.243 -0.230 1.714) 2.129 3.906 ( -0.089 -1.597 0.879) 1.826 3.965 ( -0.108 1.100 -1.088) 1.551 4.016 ( -0.672 -1.417 -1.565) 2.216 4.111 ( -1.007 1.424 -0.165) 1.752 4.177 ( -1.458 -1.126 0.404) 1.886 4.261 ( -0.359 -0.845 0.281) 0.960 4.281 ( -0.224 -0.888 0.218) 0.941 4.480 ( 0.225 1.037 -7.598) 7.672 4.522 ( 1.073 -0.807 -7.431) 7.552 4.873 ( -0.214 0.997 2.373) 2.583 4.975 ( -0.001 -5.353 0.763) 5.407 5.238 ( -0.083 1.605 -0.158) 1.615 5.291 ( -1.109 -0.183 -0.292) 1.161 5.365 ( -1.016 3.765 -0.400) 3.920 5.464 ( -0.054 1.019 -2.355) 2.566 5.587 ( -1.189 -0.986 1.526) 2.171 5.631 ( -0.834 -1.162 0.477) 1.507 5.702 ( 0.492 2.514 1.141) 2.804 5.760 ( 0.202 -0.745 0.389) 0.865 8.284 ( 0.247 0.483 -0.207) 0.581 8.301 ( -0.215 0.016 -0.682) 0.715 8.318 ( -1.464 1.324 -0.455) 2.026 8.355 ( -1.181 -0.386 -0.725) 1.438 8.531 ( 0.993 2.769 -0.861) 3.065 8.547 ( 1.633 1.375 1.021) 2.366 8.638 ( 3.271 -1.847 -0.410) 3.778 8.654 ( 3.024 -1.572 -3.220) 4.689 ======================= Grid point 79 (43/75) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 3.826 -1.059 7.396) 8.394 0.738 ( 1.436 -2.495 3.308) 4.386 0.829 ( 2.875 1.226 4.195) 5.231 0.868 ( -1.161 0.010 4.007) 4.172 0.903 ( -0.721 0.788 5.206) 5.314 0.958 ( 1.395 1.794 -0.004) 2.272 1.010 ( -0.022 -1.849 2.556) 3.155 1.032 ( 1.545 -3.359 5.654) 6.756 1.141 ( 1.983 1.477 0.246) 2.485 1.180 ( 2.290 0.860 -0.301) 2.465 1.211 ( 1.031 3.128 1.453) 3.600 1.283 ( 2.927 -0.175 2.202) 3.667 1.372 ( 0.561 0.040 3.878) 3.919 1.407 ( 1.425 0.057 -2.338) 2.739 1.449 ( 1.303 -1.896 -3.840) 4.476 1.539 ( -2.106 -4.446 1.554) 5.159 1.699 ( -1.512 4.032 -1.596) 4.593 1.728 ( -0.480 1.964 2.292) 3.057 1.806 ( 0.175 -1.699 0.951) 1.955 1.817 ( -1.750 -1.095 -2.778) 3.461 1.850 ( -0.430 0.690 -1.176) 1.430 1.907 ( -1.161 -2.029 -2.394) 3.347 1.990 ( -0.906 0.765 -0.988) 1.544 2.076 ( -0.960 -2.063 -0.119) 2.278 2.136 ( 0.986 2.139 -0.280) 2.372 2.178 ( 0.292 -0.240 0.543) 0.662 2.270 ( 0.021 1.446 -3.760) 4.028 2.301 ( -0.914 0.018 -5.595) 5.669 2.442 ( -0.194 1.046 5.055) 5.166 2.534 ( -0.241 -3.189 1.498) 3.531 2.592 ( -0.568 0.717 -0.348) 0.979 2.638 ( -0.257 -0.899 -0.462) 1.042 2.738 ( 0.290 1.140 3.426) 3.623 2.800 ( -0.248 -1.433 6.728) 6.884 2.948 ( 0.280 0.863 -0.884) 1.266 2.965 ( 1.808 0.341 -1.792) 2.568 3.263 ( -0.959 1.515 15.599) 15.702 3.336 ( -0.482 -1.570 13.202) 13.304 3.499 ( -1.235 1.002 1.677) 2.311 3.553 ( -2.710 -1.367 1.383) 3.335 3.641 ( -1.011 1.274 4.120) 4.430 3.695 ( 0.162 0.225 1.198) 1.230 3.705 ( -0.572 -0.606 2.717) 2.842 3.760 ( -3.609 -2.409 3.155) 5.365 3.827 ( 0.415 1.608 -0.607) 1.768 3.901 ( -0.552 -1.618 1.274) 2.132 3.962 ( 0.064 0.934 -1.369) 1.659 4.001 ( -0.575 -0.969 -1.474) 1.855 4.090 ( -1.090 1.493 -0.073) 1.850 4.149 ( -1.308 -0.869 0.385) 1.616 4.255 ( -0.260 -0.224 0.272) 0.437 4.272 ( -0.739 -0.874 0.408) 1.215 4.479 ( 0.630 1.122 -7.830) 7.936 4.527 ( 0.305 -0.984 -7.535) 7.606 4.873 ( -0.025 1.335 2.337) 2.691 4.967 ( -0.698 -3.981 1.320) 4.252 5.236 ( -0.119 1.738 -0.163) 1.750 5.254 ( -2.074 2.527 0.862) 3.381 5.353 ( -0.158 1.345 0.109) 1.359 5.457 ( -0.263 0.111 -1.978) 1.999 5.579 ( -0.317 -2.260 1.551) 2.760 5.614 ( -0.721 -1.707 1.332) 2.282 5.713 ( 0.415 2.908 0.563) 2.991 5.768 ( 0.498 -0.391 0.113) 0.643 8.291 ( 0.031 0.566 -0.140) 0.584 8.293 ( -0.049 0.797 -1.296) 1.522 8.300 ( -0.316 0.210 -0.122) 0.399 8.328 ( -1.345 -0.313 -0.212) 1.397 8.561 ( 1.678 1.554 -0.289) 2.306 8.581 ( 1.687 0.655 0.078) 1.812 8.698 ( 2.589 -0.874 0.006) 2.733 8.730 ( 4.793 -1.811 -5.538) 7.545 ======================= Grid point 80 (44/75) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -1.080 -3.347 5.538) 6.560 0.769 ( 1.329 -7.355 4.105) 8.528 0.803 ( -2.346 2.356 1.678) 3.724 0.847 ( -2.709 -0.473 0.891) 2.891 0.927 ( 0.327 0.496 8.524) 8.545 0.967 ( -0.760 -1.028 2.996) 3.257 1.013 ( 0.305 1.815 0.339) 1.871 1.079 ( 2.497 -2.095 4.439) 5.507 1.186 ( 1.928 1.346 1.074) 2.585 1.207 ( 0.821 1.587 0.222) 1.800 1.234 ( 1.148 0.940 2.013) 2.501 1.309 ( -0.069 -3.444 0.556) 3.490 1.391 ( 0.704 2.630 3.708) 4.600 1.444 ( 0.680 -1.390 -2.603) 3.028 1.466 ( 1.788 -2.510 -3.523) 4.681 1.503 ( -1.497 0.188 0.554) 1.607 1.678 ( -0.048 6.067 -2.290) 6.485 1.712 ( -1.372 1.148 -0.228) 1.803 1.785 ( 0.073 1.597 -1.689) 2.325 1.814 ( 0.106 -1.557 2.279) 2.763 1.849 ( -0.496 -1.543 0.386) 1.667 1.875 ( -0.689 -1.566 -2.639) 3.145 1.986 ( 0.025 1.005 -0.891) 1.343 2.050 ( -1.624 -1.685 -0.623) 2.422 2.149 ( -0.290 2.053 -0.074) 2.075 2.166 ( -0.952 0.990 2.073) 2.487 2.253 ( -1.139 0.402 -5.137) 5.277 2.288 ( 0.567 -0.879 -4.539) 4.658 2.449 ( 0.127 1.541 5.547) 5.759 2.542 ( 0.843 -2.530 2.044) 3.360 2.591 ( 0.189 0.294 -0.433) 0.557 2.627 ( -0.745 -0.858 -1.134) 1.606 2.760 ( 1.184 0.634 2.646) 2.967 2.805 ( -0.120 -1.161 7.053) 7.149 2.950 ( -0.026 1.683 -0.139) 1.689 3.008 ( 2.374 -0.657 -1.783) 3.041 3.256 ( -1.708 1.605 15.326) 15.504 3.330 ( -1.835 -1.697 13.871) 14.095 3.493 ( 0.415 0.040 1.076) 1.154 3.498 ( -2.278 -0.089 1.328) 2.638 3.624 ( -1.289 0.815 4.275) 4.538 3.678 ( -2.382 -1.853 4.363) 5.305 3.702 ( 0.205 0.705 0.651) 0.981 3.722 ( -0.247 -0.095 2.030) 2.047 3.834 ( 0.233 1.004 -0.360) 1.092 3.891 ( -0.557 -1.555 1.511) 2.238 3.967 ( 0.607 0.709 -1.406) 1.688 3.993 ( -0.036 -0.528 -1.391) 1.488 4.075 ( -0.208 1.569 0.197) 1.595 4.135 ( 0.018 -1.102 0.443) 1.188 4.250 ( -0.439 0.018 0.222) 0.492 4.257 ( -0.562 -0.370 0.304) 0.738 4.486 ( 0.969 0.733 -8.109) 8.200 4.518 ( -0.250 -0.683 -7.511) 7.546 4.877 ( 0.040 1.369 2.513) 2.862 4.955 ( -0.730 -2.599 1.683) 3.181 5.227 ( -0.786 2.713 0.929) 2.973 5.234 ( -0.078 1.284 0.143) 1.294 5.355 ( 0.221 0.457 0.229) 0.557 5.449 ( -0.342 -1.027 -1.823) 2.120 5.572 ( -0.424 -1.739 1.924) 2.628 5.609 ( -0.146 -2.038 1.642) 2.621 5.719 ( 0.175 3.084 0.210) 3.097 5.780 ( 0.780 -0.540 -0.009) 0.949 8.285 ( -0.144 0.658 -0.388) 0.777 8.292 ( -0.104 0.690 -0.686) 0.979 8.305 ( -0.590 -0.062 -0.090) 0.600 8.309 ( 0.602 -0.079 -0.539) 0.812 8.584 ( 0.579 0.359 -0.049) 0.683 8.602 ( 0.355 0.062 -0.623) 0.719 8.733 ( 0.968 0.677 -0.684) 1.365 8.808 ( 3.749 -2.231 -5.724) 7.197 ======================= Grid point 81 (45/75) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -3.957 -0.977 5.497) 6.843 0.765 ( -2.676 0.428 2.058) 3.403 0.787 ( -0.753 -6.988 3.742) 7.963 0.797 ( -1.255 -1.711 2.891) 3.586 0.901 ( -2.710 -0.006 4.617) 5.354 0.953 ( -1.313 -3.300 5.497) 6.544 1.020 ( -0.124 4.538 3.260) 5.589 1.121 ( 1.195 -1.408 2.133) 2.822 1.188 ( -0.809 0.492 -1.888) 2.112 1.213 ( -1.416 2.360 2.784) 3.914 1.267 ( 0.725 -1.006 3.381) 3.602 1.301 ( -0.196 -3.952 -0.078) 3.958 1.397 ( -0.451 2.390 2.178) 3.265 1.424 ( -0.768 0.740 -1.743) 2.043 1.459 ( -2.509 0.251 -0.143) 2.526 1.516 ( 1.664 -1.379 -4.035) 4.577 1.670 ( -0.233 6.573 -4.223) 7.816 1.724 ( 2.476 0.346 -1.289) 2.813 1.797 ( 0.893 1.190 1.268) 1.954 1.814 ( 0.201 -2.026 1.725) 2.668 1.850 ( 0.510 -0.574 1.887) 2.037 1.880 ( 0.884 -0.573 -1.035) 1.477 1.986 ( 0.371 0.551 -0.986) 1.189 2.016 ( -1.516 -1.120 -0.783) 2.041 2.118 ( -1.949 0.947 0.442) 2.211 2.157 ( -0.687 0.821 0.797) 1.334 2.227 ( -0.833 0.542 -5.661) 5.748 2.301 ( 0.735 -2.396 -2.879) 3.816 2.462 ( 0.422 2.286 6.431) 6.839 2.563 ( 0.572 -1.878 2.428) 3.123 2.589 ( -0.074 0.658 -0.490) 0.824 2.617 ( 0.048 -0.559 -1.096) 1.231 2.777 ( 0.204 -0.143 1.169) 1.195 2.806 ( -0.761 -0.980 6.481) 6.599 2.945 ( -0.476 2.802 -0.164) 2.847 3.036 ( 0.612 -1.286 -2.103) 2.540 3.238 ( -1.806 1.435 15.021) 15.197 3.307 ( -1.897 -1.719 14.512) 14.736 3.476 ( 0.336 1.230 1.498) 1.967 3.525 ( 1.847 -0.864 1.513) 2.540 3.606 ( -0.791 0.516 3.833) 3.947 3.656 ( -0.296 -1.694 4.873) 5.168 3.705 ( 0.022 0.767 0.912) 1.192 3.729 ( 0.487 -0.367 1.483) 1.603 3.834 ( -0.165 1.036 -0.289) 1.088 3.884 ( -0.370 -1.216 1.441) 1.922 3.977 ( 0.410 0.699 -0.858) 1.180 4.000 ( 1.009 -0.458 -1.484) 1.852 4.086 ( 1.225 1.597 0.322) 2.038 4.152 ( 1.509 -1.431 0.557) 2.152 4.240 ( -0.308 0.447 -0.008) 0.543 4.256 ( 0.235 -0.326 0.140) 0.425 4.494 ( 0.668 0.278 -8.141) 8.173 4.505 ( 0.120 -0.200 -7.366) 7.370 4.880 ( -0.084 1.151 2.692) 2.929 4.942 ( -0.866 -1.804 1.853) 2.727 5.222 ( 0.094 1.567 0.640) 1.695 5.235 ( 0.162 1.388 0.405) 1.455 5.361 ( 0.343 0.578 0.207) 0.703 5.441 ( -0.244 -1.340 -1.658) 2.146 5.571 ( 0.122 -0.982 1.782) 2.038 5.608 ( -0.172 -2.219 1.813) 2.871 5.721 ( 0.026 3.196 0.084) 3.197 5.795 ( 0.697 -0.991 -0.114) 1.217 8.279 ( -0.318 0.827 -0.552) 1.044 8.294 ( -0.265 0.078 -0.039) 0.279 8.300 ( 0.894 0.639 -0.558) 1.233 8.325 ( 0.885 -0.412 -0.666) 1.182 8.578 ( -1.215 -0.456 -0.296) 1.331 8.594 ( -1.013 -0.549 -0.361) 1.207 8.730 ( -1.080 2.526 -1.465) 3.113 8.854 ( 1.548 -2.895 -5.810) 6.673 ======================= Grid point 82 (46/75) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -1.922 1.113 6.288) 6.669 0.706 ( -3.547 0.789 3.250) 4.875 0.737 ( -3.438 -4.662 8.970) 10.678 0.808 ( 0.676 -4.550 2.498) 5.235 0.866 ( -1.158 0.894 1.211) 1.898 0.930 ( -1.726 -4.693 5.167) 7.190 1.013 ( -1.057 4.340 5.970) 7.457 1.130 ( -0.671 1.501 3.022) 3.440 1.155 ( -4.428 1.075 1.101) 4.688 1.166 ( -1.163 0.278 -2.341) 2.629 1.229 ( -3.309 -0.454 1.361) 3.606 1.314 ( -0.245 1.184 1.582) 1.991 1.371 ( -3.479 2.745 -1.685) 4.741 1.384 ( -0.991 -0.264 1.659) 1.950 1.452 ( 0.406 -0.875 0.649) 1.163 1.530 ( 1.444 -3.430 -2.973) 4.763 1.677 ( 1.265 4.661 -3.388) 5.900 1.750 ( 0.276 1.098 -4.218) 4.367 1.816 ( 0.417 -0.905 2.955) 3.119 1.852 ( 0.544 -1.182 2.684) 2.983 1.865 ( 3.037 -0.522 2.510) 3.974 1.891 ( 0.577 0.075 -0.590) 0.829 2.002 ( 0.543 -0.553 -1.061) 1.314 2.008 ( 1.811 -0.568 -0.411) 1.942 2.091 ( -0.753 0.257 -1.235) 1.469 2.144 ( -0.699 -0.301 1.256) 1.469 2.206 ( -0.611 1.398 -5.273) 5.489 2.299 ( -0.374 -2.894 -3.149) 4.293 2.475 ( -0.062 2.485 7.093) 7.516 2.563 ( -0.060 -0.971 1.183) 1.531 2.607 ( 1.334 0.618 2.018) 2.497 2.623 ( 0.692 -0.235 -1.271) 1.466 2.762 ( -1.816 0.302 1.073) 2.131 2.805 ( 0.527 -1.487 3.730) 4.050 2.933 ( -0.622 3.395 -0.564) 3.497 3.032 ( -0.522 -1.326 -2.424) 2.812 3.225 ( -1.371 1.319 14.661) 14.784 3.298 ( -0.865 -1.951 15.624) 15.769 3.504 ( 1.977 1.481 1.507) 2.893 3.551 ( 0.472 -0.082 2.566) 2.610 3.614 ( 1.121 -0.235 3.016) 3.226 3.679 ( 2.032 -2.712 4.849) 5.916 3.705 ( -0.154 0.787 1.401) 1.614 3.741 ( 0.535 -0.595 1.629) 1.815 3.829 ( -0.289 1.399 -0.294) 1.458 3.881 ( -0.072 -0.881 0.955) 1.302 3.980 ( -0.035 1.236 -0.600) 1.374 4.020 ( 1.031 -0.867 -1.264) 1.847 4.114 ( 1.264 1.398 0.249) 1.901 4.183 ( 1.354 -1.925 0.590) 2.426 4.242 ( 0.528 0.778 -0.123) 0.949 4.266 ( 0.764 -0.476 -0.007) 0.900 4.489 ( 0.127 0.535 -7.266) 7.287 4.507 ( 0.621 -0.299 -7.943) 7.972 4.879 ( -0.266 0.845 2.727) 2.867 4.929 ( -0.558 -1.430 2.132) 2.627 5.231 ( 0.887 0.922 0.221) 1.298 5.240 ( 0.164 0.987 0.647) 1.191 5.368 ( 0.391 1.357 0.099) 1.415 5.438 ( 0.170 -0.662 -1.643) 1.779 5.583 ( 0.952 -0.733 1.194) 1.694 5.609 ( 0.105 -2.235 1.804) 2.875 5.720 ( -0.136 3.100 0.037) 3.103 5.802 ( -0.067 -1.370 -0.159) 1.381 8.275 ( -0.005 0.953 -0.596) 1.124 8.294 ( 0.253 0.160 -0.306) 0.428 8.323 ( 1.466 0.222 -0.591) 1.596 8.341 ( 0.818 -0.537 -0.673) 1.188 8.540 ( -2.355 -0.332 -0.355) 2.404 8.570 ( -1.236 -1.252 0.054) 1.760 8.689 ( -2.857 3.902 -1.951) 5.215 8.846 ( -1.892 -3.412 -6.102) 7.242 ======================= Grid point 83 (47/75) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -2.462 2.592 6.773) 7.659 0.644 ( -2.969 1.875 8.056) 8.788 0.704 ( -1.144 -3.357 6.988) 7.836 0.820 ( 0.348 -3.893 2.394) 4.584 0.859 ( 0.453 0.349 0.775) 0.964 0.903 ( -1.153 -5.947 6.192) 8.662 0.996 ( -1.596 2.818 3.774) 4.973 1.059 ( -3.584 4.225 1.658) 5.783 1.106 ( -3.079 2.533 6.322) 7.475 1.148 ( -0.126 1.378 -2.055) 2.477 1.173 ( -2.369 -0.990 0.905) 2.722 1.264 ( -3.115 3.565 -1.542) 4.979 1.350 ( 0.191 6.541 1.195) 6.652 1.379 ( 0.443 -5.146 1.211) 5.305 1.440 ( -0.846 -2.398 -0.066) 2.544 1.581 ( 3.102 -4.401 -0.865) 5.454 1.697 ( 0.941 2.315 -2.510) 3.542 1.743 ( -0.001 0.371 -3.384) 3.404 1.817 ( -0.816 -0.261 2.539) 2.679 1.844 ( -0.952 -0.821 0.786) 1.482 1.879 ( 0.152 0.295 -0.591) 0.677 1.961 ( 3.657 -3.407 0.317) 5.008 2.026 ( 1.776 -0.242 -0.037) 1.793 2.049 ( 1.967 -0.772 0.558) 2.185 2.077 ( -0.638 1.054 0.042) 1.233 2.131 ( -0.985 -1.069 1.175) 1.869 2.201 ( 1.109 1.834 -5.183) 5.608 2.292 ( 0.406 -2.653 -4.441) 5.189 2.475 ( -0.738 2.583 7.235) 7.718 2.570 ( 0.158 -1.461 2.301) 2.730 2.622 ( -0.180 0.202 1.923) 1.942 2.637 ( 0.885 -0.482 -1.570) 1.866 2.740 ( -0.105 2.101 0.858) 2.272 2.826 ( 0.778 -1.694 2.122) 2.824 2.922 ( -0.387 3.485 -0.775) 3.591 3.013 ( -1.129 -1.087 -2.534) 2.980 3.219 ( -0.919 1.628 14.748) 14.866 3.307 ( -0.345 -2.167 15.735) 15.887 3.542 ( 1.459 0.743 1.643) 2.320 3.554 ( -0.239 0.634 2.676) 2.760 3.640 ( 0.883 0.099 3.376) 3.490 3.700 ( -0.235 1.416 1.227) 1.889 3.727 ( 0.861 -3.378 3.773) 5.137 3.765 ( 2.369 -2.174 1.508) 3.551 3.825 ( 0.069 1.691 0.218) 1.707 3.886 ( 0.572 -0.954 0.528) 1.232 3.975 ( -0.342 1.568 -0.689) 1.747 4.032 ( 0.279 -1.229 -1.266) 1.786 4.129 ( 0.310 1.136 0.092) 1.181 4.200 ( 0.341 -2.349 0.598) 2.447 4.255 ( 0.579 0.597 -0.027) 0.832 4.280 ( 0.579 -0.755 -0.030) 0.952 4.488 ( 0.638 0.525 -7.043) 7.091 4.505 ( 0.201 -0.201 -7.988) 7.993 4.877 ( -0.297 0.606 2.688) 2.771 4.933 ( 0.847 -2.161 2.073) 3.112 5.241 ( -0.052 0.762 0.533) 0.931 5.257 ( 1.703 0.272 -0.244) 1.742 5.376 ( 0.348 2.550 -0.140) 2.577 5.445 ( 0.715 0.386 -1.786) 1.962 5.608 ( 1.300 -0.385 0.784) 1.567 5.618 ( 0.635 -1.998 1.022) 2.332 5.714 ( -0.619 2.669 0.171) 2.745 5.790 ( -1.184 -1.436 0.081) 1.863 8.277 ( 0.254 0.815 -0.459) 0.969 8.301 ( 0.472 -0.011 -0.578) 0.746 8.350 ( 1.227 -0.106 -0.748) 1.441 8.353 ( 0.405 -0.450 -0.939) 1.117 8.502 ( -1.112 0.612 -0.028) 1.270 8.554 ( -0.274 -1.110 0.158) 1.154 8.623 ( -3.393 3.699 -1.783) 5.326 8.765 ( -5.569 -2.810 -4.986) 7.985 ======================= Grid point 84 (48/75) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.114 -7.266 6.582) 9.805 0.613 ( 0.114 7.266 6.582) 9.805 0.711 ( 1.648 -6.202 5.346) 8.352 0.711 ( 1.648 6.202 5.346) 8.352 0.884 ( 1.488 -2.063 3.755) 4.536 0.884 ( 1.488 2.063 3.755) 4.536 1.029 ( -1.374 -3.195 0.098) 3.480 1.029 ( -1.374 3.195 0.098) 3.480 1.110 ( -0.024 -2.367 1.441) 2.771 1.110 ( -0.024 2.367 1.441) 2.771 1.254 ( -0.560 -5.416 2.315) 5.916 1.254 ( -0.560 5.416 2.315) 5.916 1.325 ( -0.297 -4.861 2.197) 5.343 1.325 ( -0.297 4.861 2.197) 5.343 1.504 ( 0.030 -7.559 -0.338) 7.567 1.504 ( 0.030 7.559 -0.338) 7.567 1.733 ( 0.618 -1.371 -1.256) 1.959 1.733 ( 0.618 1.371 -1.256) 1.959 1.800 ( -1.389 -1.337 0.469) 1.984 1.800 ( -1.389 1.337 0.469) 1.984 1.926 ( 0.523 -2.856 -2.385) 3.757 1.926 ( 0.523 2.856 -2.385) 3.757 2.054 ( -0.256 -1.178 1.353) 1.812 2.054 ( -0.256 1.178 1.353) 1.812 2.099 ( 0.852 -0.628 0.564) 1.199 2.099 ( 0.852 0.628 0.564) 1.199 2.269 ( 2.080 -2.087 -4.907) 5.724 2.269 ( 2.080 2.087 -4.907) 5.724 2.512 ( -1.476 -2.797 4.997) 5.914 2.512 ( -1.476 2.797 4.997) 5.914 2.641 ( 0.526 -0.589 -1.240) 1.471 2.641 ( 0.526 0.589 -1.240) 1.471 2.785 ( -0.959 -2.721 2.887) 4.081 2.785 ( -0.959 2.721 2.887) 4.081 2.965 ( -0.529 -1.726 -1.769) 2.527 2.965 ( -0.529 1.726 -1.769) 2.527 3.274 ( -0.013 -2.781 14.963) 15.219 3.274 ( -0.013 2.781 14.963) 15.219 3.560 ( -0.239 -1.068 1.856) 2.155 3.560 ( -0.239 1.068 1.856) 2.155 3.681 ( 0.092 -2.366 3.527) 4.248 3.681 ( 0.092 2.366 3.527) 4.248 3.742 ( 0.281 -3.119 2.414) 3.954 3.742 ( 0.281 3.119 2.414) 3.954 3.866 ( 0.322 -2.335 0.059) 2.358 3.866 ( 0.322 2.335 0.059) 2.358 3.997 ( -0.472 -1.852 -0.704) 2.037 3.997 ( -0.472 1.852 -0.704) 2.037 4.157 ( -0.374 -2.175 0.195) 2.216 4.157 ( -0.374 2.175 0.195) 2.216 4.268 ( -0.166 -0.821 0.066) 0.840 4.268 ( -0.166 0.821 0.066) 0.840 4.499 ( 0.604 -0.638 -7.497) 7.548 4.499 ( 0.604 0.638 -7.497) 7.548 4.900 ( 0.110 -2.323 1.938) 3.027 4.900 ( 0.110 2.323 1.938) 3.027 5.263 ( 0.392 -1.463 -0.000) 1.515 5.263 ( 0.392 1.463 -0.000) 1.515 5.443 ( 0.569 -2.740 -1.768) 3.310 5.443 ( 0.569 2.740 -1.768) 3.310 5.621 ( 0.132 -0.931 -0.001) 0.940 5.621 ( 0.132 0.931 -0.001) 0.940 5.737 ( -0.712 -1.938 0.834) 2.227 5.737 ( -0.712 1.938 0.834) 2.227 8.295 ( -0.037 -0.829 -0.142) 0.842 8.295 ( -0.037 0.829 -0.142) 0.842 8.357 ( 0.005 -0.596 -1.317) 1.446 8.357 ( 0.005 0.596 -1.317) 1.446 8.546 ( 2.235 -2.193 0.080) 3.132 8.546 ( 2.235 2.193 0.080) 3.132 8.614 ( -3.296 -3.178 -2.303) 5.125 8.614 ( -3.296 3.178 -2.303) 5.125 ======================= Grid point 86 (49/75) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.942 -7.078 6.889) 9.921 0.636 ( 0.942 7.078 6.889) 9.921 0.789 ( 5.243 -5.719 3.840) 8.657 0.789 ( 5.243 5.719 3.840) 8.657 0.914 ( 1.036 -2.916 3.868) 4.953 0.914 ( 1.036 2.916 3.868) 4.953 1.006 ( -1.342 -0.372 1.078) 1.761 1.006 ( -1.342 0.372 1.078) 1.761 1.131 ( 1.902 -1.255 1.373) 2.661 1.131 ( 1.902 1.255 1.373) 2.661 1.249 ( 0.067 -2.970 1.626) 3.387 1.249 ( 0.067 2.970 1.626) 3.387 1.344 ( 1.975 -4.282 1.643) 4.993 1.344 ( 1.975 4.282 1.643) 4.993 1.485 ( -1.678 -5.845 -0.356) 6.092 1.485 ( -1.678 5.845 -0.356) 6.092 1.748 ( 0.838 -1.614 0.402) 1.862 1.748 ( 0.838 1.614 0.402) 1.862 1.783 ( -0.383 -2.541 -0.101) 2.572 1.783 ( -0.383 2.541 -0.101) 2.572 1.913 ( -1.454 -0.662 -3.157) 3.538 1.913 ( -1.454 0.662 -3.157) 3.538 2.040 ( -0.773 -2.264 0.572) 2.460 2.040 ( -0.773 2.264 0.572) 2.460 2.132 ( 2.046 -1.115 -0.171) 2.337 2.132 ( 2.046 1.115 -0.171) 2.337 2.296 ( 1.084 -1.571 -4.495) 4.884 2.296 ( 1.084 1.571 -4.495) 4.884 2.489 ( -1.339 -2.777 3.901) 4.972 2.489 ( -1.339 2.777 3.901) 4.972 2.634 ( -1.094 -0.775 -0.800) 1.561 2.634 ( -1.094 0.775 -0.800) 1.561 2.769 ( -0.815 -2.119 4.524) 5.062 2.769 ( -0.815 2.119 4.524) 5.062 2.957 ( -0.037 -0.481 -1.691) 1.758 2.957 ( -0.037 0.481 -1.691) 1.758 3.291 ( -0.166 -2.315 14.610) 14.794 3.291 ( -0.166 2.315 14.610) 14.794 3.551 ( -1.003 -1.979 1.696) 2.792 3.551 ( -1.003 1.979 1.696) 2.792 3.681 ( -0.460 -1.756 3.172) 3.654 3.681 ( -0.460 1.756 3.172) 3.654 3.739 ( -0.847 -3.262 2.549) 4.225 3.739 ( -0.847 3.262 2.549) 4.225 3.869 ( -0.114 -2.605 0.087) 2.609 3.869 ( -0.114 2.605 0.087) 2.609 3.988 ( -0.379 -1.546 -0.729) 1.751 3.988 ( -0.379 1.546 -0.729) 1.751 4.144 ( -0.971 -2.147 0.127) 2.360 4.144 ( -0.971 2.147 0.127) 2.360 4.264 ( -0.280 -0.849 0.145) 0.905 4.264 ( -0.280 0.849 0.145) 0.905 4.502 ( 0.635 -1.316 -7.543) 7.683 4.502 ( 0.635 1.316 -7.543) 7.683 4.904 ( 0.111 -2.705 1.743) 3.220 4.904 ( 0.111 2.705 1.743) 3.220 5.266 ( -0.104 -1.712 0.089) 1.718 5.266 ( -0.104 1.712 0.089) 1.718 5.440 ( -0.636 -3.468 -1.878) 3.995 5.440 ( -0.636 3.468 -1.878) 3.995 5.601 ( -1.697 -1.951 1.014) 2.778 5.601 ( -1.697 1.951 1.014) 2.778 5.740 ( 0.630 -1.612 0.436) 1.785 5.740 ( 0.630 1.612 0.436) 1.785 8.294 ( 0.035 -0.604 -0.249) 0.654 8.294 ( 0.035 0.604 -0.249) 0.654 8.342 ( -1.281 -1.093 -0.916) 1.917 8.342 ( -1.281 1.093 -0.916) 1.917 8.570 ( 0.182 -0.206 0.204) 0.342 8.570 ( 0.182 0.206 0.204) 0.342 8.619 ( 3.891 -1.186 -2.439) 4.743 8.619 ( 3.891 1.186 -2.439) 4.743 ======================= Grid point 88 (50/75) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.094 -4.552 7.085) 8.422 0.652 ( -0.094 4.552 7.085) 8.422 0.863 ( 0.619 -0.884 0.412) 1.155 0.863 ( 0.619 0.884 0.412) 1.155 0.943 ( 1.071 -3.949 8.246) 9.205 0.943 ( 1.071 3.949 8.246) 9.205 0.993 ( 1.022 -1.909 0.490) 2.220 0.993 ( 1.022 1.909 0.490) 2.220 1.171 ( 1.917 -1.646 -0.043) 2.527 1.171 ( 1.917 1.646 -0.043) 2.527 1.261 ( 0.609 -2.307 1.850) 3.019 1.261 ( 0.609 2.307 1.850) 3.019 1.399 ( 3.138 -2.513 -2.635) 4.807 1.399 ( 3.138 2.513 -2.635) 4.807 1.454 ( -1.022 -4.700 2.635) 5.485 1.454 ( -1.022 4.700 2.635) 5.485 1.761 ( -0.349 -0.343 0.563) 0.746 1.761 ( -0.349 0.343 0.563) 0.746 1.778 ( 0.370 -1.300 -0.289) 1.383 1.778 ( 0.370 1.300 -0.289) 1.383 1.874 ( -1.823 -1.923 -3.028) 4.024 1.874 ( -1.823 1.923 -3.028) 4.024 2.027 ( -0.704 -2.979 -0.379) 3.084 2.027 ( -0.704 2.979 -0.379) 3.084 2.166 ( 1.299 -1.255 -0.229) 1.820 2.166 ( 1.299 1.255 -0.229) 1.820 2.294 ( -0.792 -0.948 -3.838) 4.032 2.294 ( -0.792 0.948 -3.838) 4.032 2.476 ( -0.173 -2.817 3.107) 4.198 2.476 ( -0.173 2.817 3.107) 4.198 2.614 ( -0.635 -1.617 -0.503) 1.808 2.614 ( -0.635 1.617 -0.503) 1.808 2.767 ( 0.049 -1.980 5.163) 5.529 2.767 ( 0.049 1.980 5.163) 5.529 2.963 ( 0.900 -0.617 -1.243) 1.654 2.963 ( 0.900 0.617 -1.243) 1.654 3.299 ( -0.800 -2.315 14.533) 14.737 3.299 ( -0.800 2.315 14.533) 14.737 3.524 ( -1.859 -1.728 1.408) 2.902 3.524 ( -1.859 1.728 1.408) 2.902 3.670 ( -1.119 -1.917 3.607) 4.235 3.670 ( -1.119 1.917 3.607) 4.235 3.722 ( -0.935 -1.692 2.084) 2.843 3.722 ( -0.935 1.692 2.084) 2.843 3.864 ( -0.320 -2.343 0.172) 2.371 3.864 ( -0.320 2.343 0.172) 2.371 3.981 ( -0.194 -1.168 -0.786) 1.422 3.981 ( -0.194 1.168 -0.786) 1.422 4.122 ( -1.162 -1.926 0.142) 2.254 4.122 ( -1.162 1.926 0.142) 2.254 4.258 ( -0.318 -0.614 0.177) 0.713 4.258 ( -0.318 0.614 0.177) 0.713 4.504 ( 0.437 -1.490 -7.700) 7.855 4.504 ( 0.437 1.490 -7.700) 7.855 4.908 ( 0.062 -2.627 1.704) 3.132 4.908 ( 0.062 2.627 1.704) 3.132 5.260 ( -0.527 -1.159 0.563) 1.392 5.260 ( -0.527 1.159 0.563) 1.392 5.418 ( -1.232 -4.264 -1.544) 4.700 5.418 ( -1.232 4.264 -1.544) 4.700 5.578 ( -0.680 -1.811 2.000) 2.782 5.578 ( -0.680 1.811 2.000) 2.782 5.752 ( 0.553 -1.481 -0.022) 1.581 5.752 ( 0.553 1.481 -0.022) 1.581 8.296 ( 0.227 -0.228 -0.386) 0.503 8.296 ( 0.227 0.228 -0.386) 0.503 8.316 ( -1.094 -1.028 -0.519) 1.589 8.316 ( -1.094 1.028 -0.519) 1.589 8.585 ( 0.950 -0.690 0.027) 1.174 8.585 ( 0.950 0.690 0.027) 1.174 8.697 ( 4.155 -1.275 -3.016) 5.290 8.697 ( 4.155 1.275 -3.016) 5.290 ======================= Grid point 90 (51/75) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.411 -3.998 6.878) 7.966 0.655 ( -0.411 3.998 6.878) 7.966 0.832 ( -2.872 -1.205 1.287) 3.370 0.832 ( -2.872 1.205 1.287) 3.370 0.945 ( -1.453 -1.283 5.876) 6.188 0.945 ( -1.453 1.283 5.876) 6.188 1.046 ( 2.932 -1.891 1.127) 3.666 1.046 ( 2.932 1.891 1.127) 3.666 1.207 ( 1.776 -0.978 -0.071) 2.029 1.207 ( 1.776 0.978 -0.071) 2.029 1.260 ( -1.018 -2.022 1.557) 2.748 1.260 ( -1.018 2.022 1.557) 2.748 1.426 ( 0.562 -0.803 -0.657) 1.180 1.426 ( 0.562 0.803 -0.657) 1.180 1.473 ( 1.567 -3.051 0.217) 3.437 1.473 ( 1.567 3.051 0.218) 3.437 1.734 ( -1.247 -2.427 -1.638) 3.183 1.734 ( -1.247 2.427 -1.638) 3.183 1.800 ( 1.192 -1.255 0.965) 1.982 1.800 ( 1.192 1.255 0.965) 1.982 1.846 ( -0.659 -2.443 -2.183) 3.342 1.846 ( -0.659 2.443 -2.183) 3.342 2.011 ( -0.884 -2.183 -0.459) 2.400 2.011 ( -0.884 2.183 -0.459) 2.400 2.175 ( -0.504 -0.395 1.003) 1.190 2.175 ( -0.504 0.395 1.003) 1.190 2.267 ( -1.055 -1.192 -3.857) 4.172 2.267 ( -1.055 1.192 -3.857) 4.172 2.490 ( 1.054 -2.935 3.254) 4.507 2.490 ( 1.054 2.935 3.254) 4.507 2.605 ( -0.291 -1.302 -0.916) 1.619 2.605 ( -0.291 1.302 -0.916) 1.619 2.780 ( 0.399 -1.521 4.904) 5.149 2.780 ( 0.399 1.521 4.904) 5.149 2.985 ( 1.229 -1.894 -0.884) 2.424 2.985 ( 1.229 1.894 -0.884) 2.424 3.292 ( -1.754 -2.324 14.549) 14.837 3.292 ( -1.754 2.324 14.549) 14.837 3.495 ( -0.869 -0.202 1.187) 1.485 3.495 ( -0.869 0.202 1.187) 1.485 3.646 ( -1.702 -1.616 4.292) 4.892 3.646 ( -1.702 1.616 4.292) 4.892 3.715 ( -0.036 -0.650 1.323) 1.474 3.715 ( -0.036 0.650 1.323) 1.474 3.859 ( -0.152 -1.804 0.390) 1.852 3.859 ( -0.152 1.804 0.390) 1.852 3.981 ( 0.279 -0.802 -0.914) 1.248 3.981 ( 0.279 0.802 -0.914) 1.248 4.108 ( -0.145 -1.868 0.300) 1.898 4.108 ( -0.145 1.868 0.300) 1.898 4.252 ( -0.328 -0.163 0.115) 0.384 4.252 ( -0.328 0.163 0.115) 0.384 4.502 ( 0.347 -0.999 -7.824) 7.895 4.502 ( 0.347 0.999 -7.824) 7.895 4.910 ( -0.114 -2.320 1.798) 2.938 4.910 ( -0.114 2.320 1.798) 2.938 5.250 ( -0.495 -0.556 0.998) 1.245 5.250 ( -0.495 0.556 0.998) 1.245 5.398 ( -0.507 -3.922 -1.233) 4.142 5.398 ( -0.507 3.922 -1.233) 4.142 5.575 ( -0.133 -1.613 2.138) 2.681 5.575 ( -0.133 1.613 2.138) 2.681 5.761 ( 0.426 -1.676 -0.143) 1.735 5.761 ( 0.426 1.676 -0.143) 1.735 8.297 ( -0.318 -0.438 0.010) 0.541 8.297 ( -0.318 0.438 0.010) 0.541 8.305 ( 0.208 -0.240 -0.890) 0.945 8.305 ( 0.208 0.240 -0.890) 0.945 8.595 ( -0.085 -0.764 0.039) 0.770 8.595 ( -0.085 0.764 0.039) 0.770 8.762 ( 2.775 -2.548 -3.521) 5.157 8.762 ( 2.775 2.548 -3.521) 5.157 ======================= Grid point 92 (52/75) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -1.620 -6.175 6.981) 9.460 0.646 ( -1.620 6.175 6.981) 9.460 0.779 ( -2.697 -0.795 3.202) 4.261 0.779 ( -2.697 0.795 3.202) 4.261 0.912 ( -2.103 -1.417 4.337) 5.024 0.912 ( -2.103 1.417 4.337) 5.024 1.088 ( 1.234 -2.694 0.634) 3.031 1.088 ( 1.234 2.694 0.634) 3.031 1.217 ( -1.259 -2.713 -0.368) 3.014 1.217 ( -1.259 2.713 -0.368) 3.014 1.253 ( 0.623 -0.455 2.150) 2.284 1.253 ( 0.623 0.455 2.150) 2.284 1.428 ( -0.593 -0.849 1.667) 1.962 1.428 ( -0.593 0.849 1.667) 1.962 1.482 ( -0.482 -2.160 -2.620) 3.430 1.482 ( -0.482 2.160 -2.620) 3.430 1.730 ( 0.909 -2.222 -2.534) 3.491 1.730 ( 0.909 2.222 -2.534) 3.491 1.811 ( 0.142 -0.983 -0.044) 0.995 1.811 ( 0.142 0.983 -0.044) 0.995 1.853 ( 1.243 -1.807 0.920) 2.379 1.853 ( 1.243 1.807 0.920) 2.379 1.994 ( -0.594 -0.963 -0.387) 1.196 1.994 ( -0.594 0.963 -0.387) 1.196 2.150 ( -1.923 -1.627 0.235) 2.530 2.150 ( -1.923 1.627 0.235) 2.530 2.253 ( -0.160 -2.464 -2.882) 3.795 2.253 ( -0.160 2.464 -2.882) 3.795 2.514 ( 0.795 -3.299 3.872) 5.148 2.514 ( 0.795 3.299 3.872) 5.148 2.603 ( 0.349 -0.877 -1.018) 1.388 2.603 ( 0.349 0.877 -1.018) 1.388 2.786 ( -0.442 -1.064 3.961) 4.125 2.786 ( -0.442 1.064 3.961) 4.125 2.999 ( 0.222 -2.847 -1.238) 3.112 2.999 ( 0.222 2.847 -1.238) 3.112 3.271 ( -1.950 -2.157 14.666) 14.951 3.271 ( -1.950 2.157 14.666) 14.951 3.502 ( 1.274 -1.561 1.401) 2.454 3.502 ( 1.274 1.561 1.401) 2.454 3.625 ( -0.823 -1.592 4.448) 4.796 3.625 ( -0.823 1.592 4.448) 4.796 3.719 ( 0.215 -0.728 1.267) 1.477 3.719 ( 0.215 0.728 1.267) 1.477 3.858 ( -0.074 -1.580 0.328) 1.616 3.858 ( -0.074 1.580 0.328) 1.616 3.990 ( 0.710 -0.665 -0.786) 1.251 3.990 ( 0.710 0.665 -0.786) 1.251 4.120 ( 1.248 -2.013 0.417) 2.405 4.120 ( 1.248 2.013 0.417) 2.405 4.249 ( 0.059 -0.485 -0.032) 0.490 4.249 ( 0.059 0.485 -0.032) 0.490 4.500 ( 0.424 -0.324 -7.771) 7.789 4.500 ( 0.424 0.324 -7.771) 7.789 4.907 ( -0.382 -1.899 1.908) 2.719 4.907 ( -0.382 1.899 1.908) 2.719 5.244 ( -0.190 -0.653 1.077) 1.273 5.244 ( -0.190 0.653 1.077) 1.273 5.395 ( 0.330 -3.115 -1.163) 3.341 5.395 ( 0.330 3.115 -1.163) 3.341 5.576 ( 0.001 -1.369 2.052) 2.466 5.576 ( 0.001 1.369 2.052) 2.466 5.768 ( 0.255 -2.103 -0.150) 2.123 5.768 ( 0.255 2.103 -0.150) 2.123 8.292 ( -0.127 -0.437 -0.219) 0.505 8.292 ( -0.127 0.437 -0.219) 0.505 8.314 ( 0.674 -0.851 -0.726) 1.306 8.314 ( 0.674 0.851 -0.726) 1.306 8.580 ( -1.417 -0.652 0.066) 1.561 8.580 ( -1.417 0.652 0.066) 1.561 8.791 ( 0.517 -3.927 -3.884) 5.548 8.791 ( 0.517 3.927 -3.884) 5.548 ======================= Grid point 94 (53/75) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -1.451 -6.818 7.936) 10.563 0.620 ( -1.451 6.818 7.936) 10.563 0.736 ( -2.255 -2.788 4.848) 6.030 0.736 ( -2.255 2.788 4.848) 6.030 0.885 ( -1.262 -1.360 3.030) 3.553 0.885 ( -1.262 1.360 3.030) 3.553 1.094 ( -0.793 -4.133 1.574) 4.493 1.094 ( -0.793 4.133 1.574) 4.493 1.179 ( -2.491 -1.314 -0.705) 2.903 1.179 ( -2.491 1.314 -0.705) 2.903 1.260 ( -0.220 -4.443 2.283) 5.000 1.260 ( -0.220 4.443 2.283) 5.000 1.407 ( -2.284 -2.047 1.096) 3.257 1.407 ( -2.284 2.047 1.096) 3.257 1.463 ( -0.082 -3.744 -1.702) 4.114 1.463 ( -0.082 3.744 -1.702) 4.114 1.741 ( 0.221 -2.457 -4.067) 4.757 1.741 ( 0.221 2.457 -4.067) 4.757 1.825 ( 0.968 -1.544 3.047) 3.550 1.825 ( 0.968 1.544 3.047) 3.550 1.876 ( 0.974 -1.421 0.194) 1.734 1.876 ( 0.974 1.421 0.194) 1.734 1.997 ( 1.054 -0.250 -0.008) 1.083 1.997 ( 1.054 0.250 -0.008) 1.083 2.118 ( -1.015 -2.111 -0.615) 2.422 2.118 ( -1.015 2.111 -0.615) 2.422 2.245 ( -0.348 -2.852 -2.943) 4.113 2.245 ( -0.348 2.852 -2.943) 4.113 2.527 ( 0.048 -2.882 4.225) 5.114 2.527 ( 0.048 2.882 4.225) 5.114 2.617 ( 0.947 -0.474 -0.355) 1.117 2.617 ( 0.947 0.474 -0.355) 1.117 2.778 ( -0.351 -1.426 2.615) 2.999 2.778 ( -0.351 1.426 2.615) 2.999 2.993 ( -0.456 -3.008 -1.755) 3.513 2.993 ( -0.456 3.008 -1.755) 3.513 3.258 ( -1.183 -2.288 15.035) 15.255 3.258 ( -1.183 2.288 15.035) 15.255 3.535 ( 1.548 -1.671 1.717) 2.852 3.535 ( 1.548 1.671 1.717) 2.852 3.631 ( 0.925 -2.189 4.481) 5.072 3.631 ( 0.925 2.189 4.481) 5.072 3.724 ( 0.151 -1.173 1.578) 1.972 3.724 ( 0.151 1.173 1.578) 1.972 3.857 ( 0.011 -1.658 0.078) 1.660 3.857 ( 0.011 1.658 0.078) 1.660 4.002 ( 0.503 -1.180 -0.575) 1.405 4.002 ( 0.503 1.180 -0.575) 1.405 4.146 ( 1.078 -2.122 0.363) 2.408 4.146 ( 1.078 2.122 0.363) 2.408 4.255 ( 0.623 -0.684 -0.131) 0.935 4.255 ( 0.623 0.684 -0.131) 0.935 4.499 ( 0.419 -0.567 -7.619) 7.652 4.499 ( 0.419 0.567 -7.619) 7.652 4.901 ( -0.455 -1.533 2.017) 2.575 4.901 ( -0.455 1.533 2.017) 2.575 5.245 ( 0.186 -0.412 0.809) 0.926 5.245 ( 0.186 0.412 0.809) 0.926 5.407 ( 0.963 -2.579 -1.261) 3.028 5.407 ( 0.963 2.579 -1.261) 3.028 5.582 ( 0.528 -0.835 1.785) 2.040 5.582 ( 0.528 0.835 1.785) 2.040 5.769 ( -0.237 -2.358 -0.099) 2.372 5.769 ( -0.237 2.358 -0.099) 2.372 8.291 ( 0.080 -0.622 -0.371) 0.729 8.291 ( 0.080 0.622 -0.371) 0.729 8.330 ( 1.032 -0.589 -0.706) 1.382 8.330 ( 1.032 0.589 -0.706) 1.382 8.547 ( -1.751 -1.059 0.108) 2.049 8.547 ( -1.751 1.059 0.108) 2.049 8.770 ( -2.204 -4.829 -4.086) 6.698 8.770 ( -2.204 4.829 -4.086) 6.698 ======================= Grid point 96 (54/75) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.573 -5.731 8.034) 9.885 0.613 ( -0.573 5.731 8.034) 9.885 0.707 ( -1.273 -5.145 5.174) 7.407 0.707 ( -1.273 5.145 5.174) 7.407 0.868 ( -0.605 -0.364 3.483) 3.554 0.868 ( -0.605 0.364 3.483) 3.554 1.065 ( -2.092 -4.095 0.573) 4.634 1.065 ( -2.092 4.095 0.573) 4.634 1.128 ( -2.096 -2.883 0.193) 3.569 1.128 ( -2.096 2.883 0.193) 3.569 1.259 ( -0.258 -6.945 3.226) 7.663 1.259 ( -0.258 6.945 3.226) 7.663 1.352 ( -2.567 -4.933 0.326) 5.571 1.352 ( -2.567 4.933 0.326) 5.571 1.485 ( 1.645 -6.367 0.028) 6.576 1.485 ( 1.645 6.367 0.028) 6.576 1.733 ( -0.297 -1.545 -3.024) 3.409 1.733 ( -0.297 1.545 -3.024) 3.409 1.827 ( -1.207 -1.153 1.839) 2.483 1.827 ( -1.207 1.153 1.839) 2.483 1.903 ( 1.793 -2.691 -0.782) 3.327 1.903 ( 1.793 2.691 -0.782) 3.327 2.030 ( 1.949 -0.773 0.888) 2.277 2.030 ( 1.949 0.773 0.888) 2.277 2.105 ( -0.701 -1.676 0.255) 1.835 2.105 ( -0.701 1.676 0.255) 1.835 2.242 ( 0.865 -2.701 -4.472) 5.295 2.242 ( 0.865 2.701 -4.472) 5.295 2.527 ( -0.670 -3.028 5.422) 6.246 2.527 ( -0.670 3.028 5.422) 6.246 2.629 ( 0.564 -0.450 -1.164) 1.369 2.629 ( 0.564 0.450 -1.164) 1.369 2.786 ( 0.512 -2.721 2.055) 3.448 2.786 ( 0.512 2.721 2.055) 3.448 2.980 ( -0.684 -2.729 -1.919) 3.405 2.980 ( -0.684 2.729 -1.919) 3.405 3.260 ( -0.493 -2.775 15.241) 15.499 3.260 ( -0.493 2.775 15.241) 15.499 3.557 ( 0.460 -0.563 1.948) 2.079 3.557 ( 0.460 0.563 1.948) 2.079 3.663 ( 1.391 -2.831 4.175) 5.232 3.663 ( 1.391 2.831 4.175) 5.232 3.731 ( 0.351 -1.897 2.025) 2.797 3.731 ( 0.351 1.897 2.025) 2.797 3.860 ( 0.262 -1.970 -0.052) 1.988 3.860 ( 0.262 1.970 -0.052) 1.988 4.005 ( -0.136 -1.722 -0.575) 1.821 4.005 ( -0.136 1.722 -0.575) 1.821 4.158 ( 0.214 -2.108 0.257) 2.134 4.158 ( 0.214 2.108 0.257) 2.134 4.267 ( 0.392 -0.761 -0.063) 0.858 4.267 ( 0.392 0.761 -0.063) 0.858 4.498 ( 0.417 -0.543 -7.530) 7.561 4.498 ( 0.417 0.543 -7.530) 7.561 4.897 ( -0.141 -1.699 2.069) 2.681 4.897 ( -0.141 1.699 2.069) 2.681 5.253 ( 0.499 -0.566 0.342) 0.829 5.253 ( 0.499 0.566 0.342) 0.829 5.427 ( 1.150 -2.465 -1.521) 3.117 5.427 ( 1.150 2.465 -1.521) 3.117 5.602 ( 1.244 -0.083 1.052) 1.631 5.602 ( 1.244 0.083 1.052) 1.631 5.757 ( -0.991 -2.201 0.172) 2.420 5.757 ( -0.991 2.201 0.172) 2.420 8.294 ( 0.173 -0.854 -0.289) 0.918 8.294 ( 0.173 0.854 -0.289) 0.918 8.348 ( 0.899 -0.052 -1.011) 1.354 8.348 ( 0.899 0.052 -1.011) 1.354 8.525 ( -0.211 -1.786 0.141) 1.804 8.525 ( -0.211 1.786 0.141) 1.804 8.699 ( -4.383 -4.343 -3.536) 7.111 8.699 ( -4.383 4.343 -3.536) 7.111 ======================= Grid point 105 (55/75) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -2.515 0.000 7.433) 7.847 0.675 ( 0.567 0.000 -1.704) 1.796 0.848 ( -0.350 0.000 4.694) 4.707 0.888 ( 2.156 0.000 0.895) 2.334 0.926 ( 0.976 0.000 1.268) 1.600 0.992 ( -1.678 0.000 -5.200) 5.464 0.999 ( 0.831 0.000 6.676) 6.728 1.072 ( 0.538 0.000 1.844) 1.921 1.093 ( -0.395 0.000 -1.108) 1.176 1.141 ( -1.007 0.000 -4.149) 4.270 1.189 ( -1.741 0.000 2.370) 2.941 1.199 ( 2.103 0.000 3.100) 3.746 1.345 ( 1.359 0.000 3.439) 3.698 1.439 ( -0.989 0.000 -3.793) 3.920 1.502 ( -0.712 0.000 8.968) 8.996 1.616 ( -0.040 0.000 -2.328) 2.328 1.664 ( 1.684 0.000 0.199) 1.696 1.726 ( 1.656 0.000 -4.029) 4.356 1.806 ( -1.800 0.000 0.065) 1.801 1.821 ( 0.439 0.000 -2.299) 2.341 1.856 ( 0.773 0.000 0.828) 1.132 1.906 ( -3.247 0.000 -3.970) 5.129 2.067 ( -0.634 0.000 2.143) 2.235 2.123 ( 1.406 0.000 -2.153) 2.571 2.138 ( 2.037 0.000 2.088) 2.917 2.142 ( 0.854 0.000 0.092) 0.859 2.157 ( -0.126 0.000 1.237) 1.243 2.221 ( -0.292 0.000 -4.332) 4.342 2.563 ( -1.348 0.000 3.558) 3.805 2.590 ( 1.706 0.000 -0.158) 1.714 2.612 ( -1.873 0.000 0.181) 1.882 2.631 ( -0.168 0.000 -1.118) 1.131 2.788 ( 1.465 0.000 3.503) 3.797 2.866 ( 0.045 0.000 -3.320) 3.321 2.891 ( -0.004 0.000 2.155) 2.155 2.928 ( -1.159 0.000 -1.866) 2.197 3.488 ( -0.611 0.000 9.921) 9.940 3.570 ( -1.456 0.000 6.537) 6.697 3.584 ( 2.054 0.000 -0.950) 2.263 3.635 ( -0.429 0.000 6.112) 6.127 3.663 ( -0.262 0.000 -2.915) 2.926 3.714 ( 0.056 0.000 -2.612) 2.613 3.742 ( 0.048 0.000 5.948) 5.949 3.834 ( -0.209 0.000 -0.004) 0.209 3.900 ( 1.058 0.000 2.751) 2.948 3.911 ( -0.742 0.000 -1.642) 1.802 3.913 ( 0.934 0.000 0.037) 0.935 3.987 ( -0.626 0.000 -3.832) 3.883 4.141 ( -0.820 0.000 2.935) 3.047 4.207 ( -0.807 0.000 -1.807) 1.979 4.265 ( 1.091 0.000 0.335) 1.141 4.306 ( -0.166 0.000 1.080) 1.093 4.330 ( -0.228 0.000 -6.727) 6.730 4.363 ( 1.056 0.000 -5.279) 5.383 4.933 ( -0.768 0.000 2.966) 3.064 4.987 ( 1.454 0.000 -2.288) 2.711 5.239 ( -0.922 0.000 1.010) 1.368 5.262 ( 0.915 0.000 -1.162) 1.479 5.369 ( -0.225 0.000 1.427) 1.444 5.403 ( 0.251 0.000 -1.790) 1.808 5.631 ( -1.027 0.000 -0.043) 1.027 5.634 ( 0.773 0.000 -0.214) 0.802 5.727 ( 0.289 0.000 2.869) 2.883 5.771 ( -0.692 0.000 -1.269) 1.446 8.272 ( 0.422 0.000 0.142) 0.445 8.283 ( -0.292 0.000 -0.882) 0.929 8.345 ( -0.871 0.000 0.300) 0.921 8.353 ( 0.358 0.000 -0.539) 0.647 8.499 ( 1.609 0.000 0.191) 1.620 8.504 ( -1.560 0.000 -0.222) 1.575 8.618 ( 2.458 0.000 0.651) 2.543 8.636 ( -3.021 0.000 -1.200) 3.250 ======================= Grid point 106 (56/75) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 6.805 0.000 7.527) 10.147 0.703 ( 1.506 0.000 -0.628) 1.631 0.888 ( 3.194 0.000 1.586) 3.566 0.907 ( -0.803 0.000 -0.574) 0.987 0.930 ( -0.217 0.000 2.725) 2.733 0.968 ( 0.260 0.000 -2.953) 2.965 1.046 ( 3.076 0.000 6.508) 7.198 1.105 ( 1.292 0.000 -2.667) 2.963 1.113 ( 2.451 0.000 1.516) 2.882 1.135 ( 0.943 0.000 -1.861) 2.087 1.174 ( 0.582 0.000 2.455) 2.523 1.252 ( 2.993 0.000 0.772) 3.091 1.375 ( 1.150 0.000 2.460) 2.716 1.410 ( -1.277 0.000 -4.117) 4.311 1.489 ( -1.355 0.000 8.269) 8.379 1.600 ( -1.279 0.000 -1.626) 2.069 1.665 ( -1.674 0.000 -0.859) 1.881 1.721 ( -1.286 0.000 -8.244) 8.343 1.781 ( -0.709 0.000 1.532) 1.688 1.844 ( -1.514 0.000 -0.683) 1.661 1.856 ( 2.314 0.000 -0.979) 2.513 1.882 ( 1.356 0.000 3.266) 3.536 2.032 ( -2.833 0.000 0.877) 2.966 2.120 ( -1.021 0.000 -1.648) 1.939 2.133 ( -2.203 0.000 -0.054) 2.204 2.163 ( 0.969 0.000 -2.215) 2.418 2.186 ( 2.527 0.000 1.984) 3.213 2.196 ( -1.628 0.000 -5.616) 5.847 2.544 ( -1.295 0.000 3.983) 4.188 2.575 ( -1.495 0.000 -0.248) 1.515 2.605 ( -1.369 0.000 -0.373) 1.419 2.633 ( 1.664 0.000 0.650) 1.786 2.807 ( 0.144 0.000 3.861) 3.864 2.847 ( -0.897 0.000 -5.286) 5.362 2.900 ( 0.644 0.000 2.939) 3.009 2.931 ( 1.317 0.000 -0.702) 1.493 3.496 ( 0.269 0.000 6.472) 6.477 3.554 ( -1.083 0.000 8.243) 8.313 3.614 ( 0.447 0.000 -0.004) 0.447 3.625 ( -1.297 0.000 6.927) 7.047 3.659 ( 0.356 0.000 -3.666) 3.684 3.709 ( -0.174 0.000 -2.478) 2.484 3.739 ( -0.816 0.000 5.779) 5.836 3.822 ( -0.722 0.000 -0.416) 0.833 3.900 ( -0.189 0.000 -2.041) 2.050 3.908 ( -0.785 0.000 3.051) 3.150 3.930 ( 0.590 0.000 0.595) 0.838 3.968 ( -0.747 0.000 -4.204) 4.269 4.122 ( -1.398 0.000 3.155) 3.451 4.184 ( -1.372 0.000 -0.684) 1.534 4.282 ( 0.375 0.000 0.613) 0.718 4.299 ( -0.468 0.000 1.067) 1.165 4.316 ( -0.214 0.000 -6.553) 6.557 4.375 ( 0.827 0.000 -6.456) 6.509 4.921 ( -0.635 0.000 2.618) 2.694 5.005 ( 0.548 0.000 -2.883) 2.935 5.218 ( -1.174 0.000 0.934) 1.500 5.262 ( -0.769 0.000 -0.600) 0.976 5.371 ( 0.234 0.000 1.371) 1.391 5.408 ( 0.398 0.000 -1.780) 1.824 5.614 ( -0.575 0.000 0.302) 0.649 5.642 ( 0.034 0.000 -0.011) 0.036 5.735 ( 0.158 0.000 3.144) 3.148 5.761 ( -0.187 0.000 -1.169) 1.183 8.273 ( -0.568 0.000 -0.848) 1.021 8.279 ( 0.286 0.000 0.140) 0.318 8.321 ( -1.380 0.000 0.674) 1.536 8.348 ( -0.767 0.000 -0.257) 0.809 8.502 ( 1.231 0.000 -0.178) 1.244 8.552 ( 3.246 0.000 0.598) 3.301 8.604 ( 0.191 0.000 -1.800) 1.810 8.675 ( 3.032 0.000 1.073) 3.217 ======================= Grid point 107 (57/75) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 1.223 0.000 -1.230) 1.735 0.764 ( 4.962 0.000 2.799) 5.698 0.868 ( -2.962 0.000 -1.265) 3.221 0.891 ( -1.664 0.000 -1.378) 2.160 0.986 ( 3.750 0.000 4.612) 5.944 0.993 ( 2.627 0.000 2.694) 3.763 1.101 ( 1.096 0.000 6.679) 6.768 1.121 ( 1.141 0.000 -4.381) 4.527 1.169 ( 4.240 0.000 1.681) 4.561 1.184 ( 3.723 0.000 1.752) 4.114 1.207 ( 1.036 0.000 2.535) 2.738 1.312 ( 2.993 0.000 -1.865) 3.527 1.390 ( 0.239 0.000 0.448) 0.508 1.391 ( -0.042 0.000 -2.984) 2.984 1.478 ( -0.642 0.000 7.138) 7.167 1.566 ( -2.133 0.000 -2.305) 3.140 1.602 ( -4.501 0.000 -1.739) 4.826 1.670 ( -2.458 0.000 -8.485) 8.834 1.784 ( 0.717 0.000 3.904) 3.969 1.820 ( -0.270 0.000 0.250) 0.369 1.908 ( 0.742 0.000 4.237) 4.302 1.923 ( 3.340 0.000 0.035) 3.340 1.969 ( -3.485 0.000 0.341) 3.501 2.084 ( -2.457 0.000 -0.848) 2.599 2.084 ( -1.973 0.000 -3.688) 4.182 2.154 ( -1.767 0.000 -7.156) 7.371 2.179 ( 1.352 0.000 -1.974) 2.393 2.226 ( 0.795 0.000 2.695) 2.810 2.527 ( -0.289 0.000 3.265) 3.278 2.565 ( 0.161 0.000 -0.154) 0.222 2.588 ( -0.221 0.000 0.113) 0.248 2.638 ( -1.221 0.000 -0.048) 1.221 2.811 ( 0.005 0.000 4.527) 4.527 2.853 ( 2.153 0.000 -4.966) 5.413 2.921 ( 0.990 0.000 3.499) 3.637 2.958 ( 1.441 0.000 -0.685) 1.595 3.501 ( -0.332 0.000 1.836) 1.866 3.547 ( -0.863 0.000 10.513) 10.548 3.588 ( -2.919 0.000 0.718) 3.006 3.607 ( -1.329 0.000 8.435) 8.539 3.668 ( 0.796 0.000 -3.712) 3.796 3.703 ( -0.139 0.000 -2.453) 2.457 3.732 ( -0.600 0.000 5.942) 5.972 3.817 ( 0.524 0.000 -1.733) 1.810 3.870 ( -3.537 0.000 4.996) 6.121 3.893 ( -0.321 0.000 -2.746) 2.765 3.936 ( 0.021 0.000 0.550) 0.550 3.953 ( -0.193 0.000 -3.630) 3.635 4.099 ( -1.171 0.000 2.893) 3.121 4.158 ( -1.120 0.000 -0.282) 1.155 4.279 ( -0.549 0.000 1.879) 1.958 4.291 ( -0.664 0.000 0.574) 0.878 4.308 ( 0.210 0.000 -6.832) 6.835 4.377 ( 0.212 0.000 -6.991) 6.994 4.918 ( 0.030 0.000 2.635) 2.635 5.002 ( -0.383 0.000 -2.270) 2.302 5.202 ( -0.575 0.000 0.857) 1.032 5.241 ( -1.107 0.000 -0.017) 1.107 5.379 ( 0.332 0.000 1.484) 1.520 5.414 ( 0.449 0.000 -1.717) 1.774 5.613 ( 0.439 0.000 -0.227) 0.494 5.636 ( -0.653 0.000 0.465) 0.801 5.738 ( -0.249 0.000 3.265) 3.275 5.761 ( 0.353 0.000 -1.296) 1.343 8.264 ( -0.146 0.000 -0.641) 0.657 8.285 ( 0.188 0.000 0.085) 0.207 8.299 ( -0.790 0.000 0.207) 0.816 8.329 ( -1.034 0.000 0.079) 1.037 8.537 ( 2.090 0.000 -0.243) 2.104 8.588 ( 0.681 0.000 0.358) 0.769 8.655 ( 4.381 0.000 -2.577) 5.083 8.726 ( 1.771 0.000 1.208) 2.143 ======================= Grid point 108 (58/75) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.466 0.000 -1.019) 2.668 0.784 ( -4.282 0.000 2.142) 4.788 0.822 ( 0.800 0.000 -1.809) 1.978 0.847 ( -2.587 0.000 -0.852) 2.723 1.035 ( 0.425 0.000 3.597) 3.622 1.061 ( 3.048 0.000 5.009) 5.863 1.121 ( 0.151 0.000 5.800) 5.802 1.135 ( 0.486 0.000 -4.047) 4.076 1.208 ( -0.493 0.000 3.314) 3.350 1.265 ( 3.778 0.000 3.454) 5.119 1.270 ( 5.384 0.000 3.232) 6.280 1.349 ( 0.525 0.000 -2.613) 2.665 1.396 ( 0.593 0.000 -1.987) 2.074 1.398 ( 0.814 0.000 -1.720) 1.903 1.464 ( -2.994 0.000 2.935) 4.193 1.503 ( -3.843 0.000 -3.700) 5.335 1.516 ( -1.996 0.000 0.766) 2.138 1.628 ( -0.740 0.000 -6.585) 6.627 1.819 ( 2.256 0.000 4.864) 5.362 1.834 ( 1.471 0.000 0.486) 1.549 1.900 ( -2.329 0.000 -0.621) 2.411 1.930 ( -0.044 0.000 5.656) 5.656 1.950 ( -0.750 0.000 -0.913) 1.182 2.045 ( -1.491 0.000 -0.461) 1.561 2.058 ( 0.048 0.000 -5.084) 5.084 2.112 ( -1.653 0.000 -7.240) 7.426 2.219 ( -1.592 0.000 3.078) 3.466 2.220 ( 2.958 0.000 -1.924) 3.528 2.537 ( 0.574 0.000 3.155) 3.207 2.577 ( 1.001 0.000 -0.031) 1.001 2.590 ( 0.131 0.000 -0.270) 0.300 2.605 ( -1.781 0.000 -1.008) 2.047 2.820 ( 0.166 0.000 4.079) 4.082 2.890 ( 1.517 0.000 -3.782) 4.075 2.940 ( 0.346 0.000 3.957) 3.972 2.985 ( 1.364 0.000 -1.132) 1.772 3.499 ( 0.426 0.000 0.155) 0.453 3.523 ( -3.231 0.000 0.916) 3.358 3.540 ( -1.271 0.000 11.396) 11.467 3.599 ( -0.488 0.000 8.636) 8.650 3.678 ( 0.717 0.000 -3.201) 3.280 3.698 ( 0.025 0.000 -2.820) 2.820 3.727 ( -0.905 0.000 6.974) 7.033 3.804 ( -3.157 0.000 5.769) 6.576 3.831 ( 0.594 0.000 -1.425) 1.544 3.889 ( 0.872 0.000 -4.676) 4.757 3.934 ( -0.308 0.000 0.645) 0.715 3.952 ( 0.258 0.000 -2.381) 2.395 4.088 ( -0.251 0.000 2.790) 2.801 4.145 ( -0.001 0.000 -0.834) 0.834 4.262 ( -1.443 0.000 1.007) 1.760 4.280 ( -0.326 0.000 1.861) 1.889 4.310 ( 0.852 0.000 -7.033) 7.085 4.370 ( -0.030 0.000 -6.698) 6.698 4.927 ( 0.390 0.000 2.910) 2.936 4.988 ( -0.758 0.000 -1.501) 1.682 5.200 ( 0.311 0.000 0.781) 0.841 5.223 ( -0.691 0.000 -0.202) 0.720 5.385 ( 0.112 0.000 1.619) 1.623 5.420 ( 0.262 0.000 -1.640) 1.660 5.622 ( -0.815 0.000 0.887) 1.205 5.625 ( 0.754 0.000 -0.762) 1.072 5.733 ( -0.630 0.000 3.157) 3.219 5.771 ( 0.806 0.000 -1.504) 1.706 8.267 ( 0.522 0.000 -0.478) 0.708 8.276 ( -0.797 0.000 0.003) 0.797 8.302 ( 0.724 0.000 -0.308) 0.787 8.310 ( -0.915 0.000 0.273) 0.955 8.572 ( 1.384 0.000 -0.191) 1.397 8.593 ( -0.244 0.000 -0.371) 0.444 8.732 ( 3.606 0.000 -2.772) 4.548 8.740 ( -0.536 0.000 0.829) 0.987 ======================= Grid point 109 (59/75) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -4.081 0.000 3.718) 5.521 0.791 ( -1.849 0.000 1.860) 2.623 0.820 ( 2.598 0.000 -1.319) 2.913 0.839 ( 0.914 0.000 -0.171) 0.930 1.013 ( -2.921 0.000 6.205) 6.858 1.110 ( 0.825 0.000 3.138) 3.244 1.118 ( -0.905 0.000 0.857) 1.247 1.128 ( -0.017 0.000 -1.782) 1.782 1.190 ( -2.278 0.000 5.324) 5.790 1.285 ( -3.923 0.000 2.041) 4.422 1.321 ( -2.359 0.000 -4.701) 5.259 1.338 ( -1.659 0.000 1.587) 2.295 1.383 ( -0.124 0.000 0.364) 0.385 1.420 ( 1.845 0.000 -0.538) 1.922 1.434 ( 0.559 0.000 1.720) 1.809 1.459 ( 2.377 0.000 -2.170) 3.218 1.528 ( 1.560 0.000 1.865) 2.431 1.620 ( 0.439 0.000 -6.230) 6.245 1.848 ( -0.596 0.000 0.008) 0.596 1.863 ( 0.711 0.000 0.410) 0.821 1.898 ( 3.098 0.000 3.628) 4.771 1.930 ( 0.232 0.000 -2.986) 2.995 1.938 ( -0.116 0.000 5.783) 5.784 2.022 ( -0.908 0.000 1.273) 1.564 2.059 ( 0.338 0.000 -4.346) 4.359 2.079 ( -0.727 0.000 -6.230) 6.272 2.184 ( -2.046 0.000 2.045) 2.893 2.269 ( 1.808 0.000 -1.977) 2.679 2.556 ( 1.061 0.000 3.311) 3.476 2.571 ( -1.500 0.000 -0.576) 1.607 2.590 ( 0.014 0.000 -1.370) 1.370 2.598 ( 1.185 0.000 0.036) 1.185 2.813 ( -1.564 0.000 3.099) 3.472 2.897 ( -0.187 0.000 -2.717) 2.724 2.938 ( -1.027 0.000 3.900) 4.033 2.997 ( -0.114 0.000 -2.260) 2.263 3.488 ( -0.171 0.000 0.912) 0.928 3.520 ( -0.692 0.000 9.898) 9.923 3.533 ( 1.547 0.000 3.251) 3.601 3.608 ( 0.271 0.000 7.443) 7.448 3.686 ( 0.336 0.000 -2.932) 2.951 3.699 ( 0.383 0.000 -3.008) 3.032 3.703 ( -2.082 0.000 7.792) 8.066 3.787 ( 0.549 0.000 5.476) 5.503 3.830 ( -0.221 0.000 -1.308) 1.327 3.921 ( 2.374 0.000 -4.353) 4.958 3.925 ( -0.721 0.000 0.762) 1.049 3.955 ( 0.516 0.000 -2.060) 2.124 4.099 ( 1.018 0.000 2.568) 2.763 4.156 ( 1.278 0.000 -2.205) 2.548 4.238 ( -0.896 0.000 0.684) 1.127 4.280 ( 0.022 0.000 2.207) 2.207 4.324 ( 1.360 0.000 -6.395) 6.538 4.362 ( -0.034 0.000 -6.161) 6.161 4.937 ( 0.255 0.000 3.195) 3.205 4.971 ( -0.812 0.000 -1.114) 1.379 5.213 ( 0.907 0.000 0.636) 1.108 5.214 ( -0.158 0.000 -0.472) 0.498 5.386 ( -0.238 0.000 1.578) 1.595 5.419 ( -0.158 0.000 -1.581) 1.589 5.609 ( -0.489 0.000 0.926) 1.047 5.638 ( 0.597 0.000 -0.801) 0.999 5.724 ( -0.646 0.000 2.948) 3.018 5.785 ( 0.793 0.000 -1.790) 1.958 8.262 ( -0.540 0.000 -0.081) 0.546 8.282 ( 1.048 0.000 -0.514) 1.167 8.296 ( -0.536 0.000 0.233) 0.584 8.318 ( 0.919 0.000 -0.459) 1.028 8.575 ( -1.537 0.000 -0.429) 1.596 8.587 ( 0.188 0.000 0.025) 0.189 8.707 ( -2.786 0.000 0.197) 2.793 8.778 ( 1.289 0.000 -3.321) 3.563 ======================= Grid point 110 (60/75) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -1.264 0.000 5.170) 5.322 0.754 ( -2.023 0.000 2.505) 3.220 0.853 ( 0.314 0.000 1.540) 1.571 0.873 ( 2.138 0.000 -0.211) 2.148 0.956 ( -3.575 0.000 8.193) 8.938 1.068 ( -4.477 0.000 -1.822) 4.833 1.084 ( -2.226 0.000 -4.450) 4.976 1.140 ( -3.082 0.000 4.368) 5.346 1.148 ( 0.080 0.000 5.646) 5.647 1.194 ( -3.559 0.000 -0.303) 3.572 1.258 ( -3.278 0.000 -4.868) 5.868 1.269 ( -3.365 0.000 1.933) 3.881 1.365 ( -2.597 0.000 0.699) 2.690 1.445 ( 0.988 0.000 -2.307) 2.509 1.459 ( 1.260 0.000 7.367) 7.474 1.553 ( 4.892 0.000 0.295) 4.901 1.566 ( 2.218 0.000 0.449) 2.263 1.629 ( 1.450 0.000 -5.571) 5.756 1.843 ( 0.212 0.000 -1.700) 1.713 1.852 ( -1.105 0.000 -1.939) 2.232 1.911 ( -2.541 0.000 2.208) 3.366 1.964 ( 2.426 0.000 -2.316) 3.354 1.983 ( 3.965 0.000 4.670) 6.126 2.026 ( 1.353 0.000 4.483) 4.682 2.052 ( -0.053 0.000 -6.390) 6.390 2.084 ( 1.688 0.000 -1.174) 2.056 2.159 ( -0.589 0.000 0.810) 1.001 2.271 ( -1.330 0.000 -1.944) 2.355 2.555 ( 0.209 0.000 -0.337) 0.396 2.573 ( 0.111 0.000 2.580) 2.582 2.592 ( 0.490 0.000 -2.056) 2.113 2.634 ( 2.463 0.000 0.686) 2.557 2.769 ( -2.949 0.000 2.315) 3.749 2.885 ( -0.565 0.000 -2.119) 2.193 2.917 ( -1.400 0.000 3.498) 3.768 2.980 ( -0.971 0.000 -2.987) 3.141 3.505 ( -1.518 0.000 12.212) 12.306 3.510 ( 1.849 0.000 0.422) 1.896 3.587 ( 2.485 0.000 2.199) 3.318 3.617 ( -0.569 0.000 7.896) 7.917 3.683 ( -0.204 0.000 -2.790) 2.798 3.689 ( 0.101 0.000 6.560) 6.560 3.705 ( 0.619 0.000 -3.050) 3.113 3.821 ( 2.061 0.000 5.006) 5.414 3.826 ( 0.075 0.000 -1.345) 1.347 3.909 ( -0.823 0.000 0.675) 1.065 3.939 ( -0.023 0.000 -1.553) 1.553 3.979 ( 1.776 0.000 -3.346) 3.788 4.126 ( 1.210 0.000 2.271) 2.573 4.186 ( 1.946 0.000 -3.404) 3.921 4.233 ( 0.205 0.000 0.696) 0.725 4.287 ( 0.450 0.000 1.986) 2.037 4.338 ( 0.538 0.000 -5.395) 5.422 4.356 ( 0.280 0.000 -5.969) 5.976 4.942 ( -0.113 0.000 3.376) 3.378 4.958 ( -0.279 0.000 -0.921) 0.962 5.218 ( 0.668 0.000 -0.633) 0.921 5.233 ( 0.954 0.000 0.591) 1.122 5.381 ( -0.435 0.000 1.460) 1.523 5.411 ( -0.374 0.000 -1.578) 1.622 5.607 ( 0.182 0.000 0.508) 0.539 5.646 ( 0.294 0.000 -0.616) 0.682 5.718 ( -0.300 0.000 2.779) 2.795 5.793 ( 0.167 0.000 -1.943) 1.950 8.257 ( 0.031 0.000 -0.032) 0.044 8.287 ( -0.176 0.000 -0.153) 0.233 8.308 ( 1.478 0.000 -0.614) 1.601 8.335 ( 0.847 0.000 -0.432) 0.951 8.536 ( -2.232 0.000 -0.200) 2.241 8.584 ( -0.347 0.000 0.351) 0.493 8.639 ( -4.025 0.000 -0.361) 4.041 8.770 ( -1.708 0.000 -3.503) 3.897 ======================= Grid point 111 (61/75) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -2.649 0.000 5.198) 5.834 0.707 ( -3.008 0.000 0.432) 3.039 0.857 ( 0.334 0.000 2.593) 2.614 0.883 ( -2.565 0.000 5.275) 5.865 0.908 ( -0.306 0.000 0.544) 0.625 0.996 ( -1.617 0.000 4.070) 4.379 1.030 ( -1.982 0.000 -5.652) 5.990 1.091 ( -2.264 0.000 2.690) 3.516 1.125 ( -2.204 0.000 0.106) 2.206 1.171 ( 0.299 0.000 3.113) 3.128 1.189 ( -3.323 0.000 -3.591) 4.893 1.223 ( -2.063 0.000 2.469) 3.217 1.327 ( -0.422 0.000 2.613) 2.647 1.452 ( 0.060 0.000 -2.881) 2.881 1.490 ( 0.724 0.000 9.288) 9.316 1.608 ( 1.289 0.000 -2.948) 3.218 1.616 ( 2.813 0.000 0.173) 2.819 1.677 ( 3.433 0.000 -2.345) 4.157 1.830 ( -0.738 0.000 -2.970) 3.060 1.841 ( -0.861 0.000 -0.168) 0.877 1.860 ( -1.887 0.000 -0.500) 1.952 1.966 ( -1.945 0.000 -4.437) 4.845 2.047 ( 2.031 0.000 3.279) 3.857 2.076 ( 2.954 0.000 -3.470) 4.557 2.086 ( 3.343 0.000 4.553) 5.648 2.122 ( 1.699 0.000 0.983) 1.963 2.155 ( -0.113 0.000 0.501) 0.513 2.235 ( -1.307 0.000 -3.025) 3.295 2.569 ( 0.799 0.000 -0.150) 0.813 2.575 ( -0.218 0.000 3.316) 3.323 2.611 ( 1.798 0.000 -2.245) 2.876 2.652 ( -1.667 0.000 -0.776) 1.839 2.747 ( 1.419 0.000 3.694) 3.957 2.872 ( -0.525 0.000 -1.847) 1.920 2.897 ( -0.923 0.000 2.502) 2.667 2.957 ( -1.164 0.000 -3.112) 3.322 3.494 ( -1.210 0.000 11.771) 11.833 3.547 ( 1.885 0.000 -0.416) 1.930 3.594 ( -1.628 0.000 4.916) 5.178 3.627 ( 0.494 0.000 6.563) 6.582 3.673 ( -0.403 0.000 -2.780) 2.809 3.712 ( 0.415 0.000 -2.874) 2.904 3.719 ( 1.541 0.000 5.733) 5.936 3.831 ( 0.401 0.000 -0.801) 0.896 3.867 ( 1.888 0.000 3.728) 4.179 3.901 ( 0.090 0.000 0.189) 0.209 3.929 ( -0.793 0.000 -1.218) 1.454 3.996 ( 0.341 0.000 -3.265) 3.283 4.144 ( 0.242 0.000 2.445) 2.457 4.212 ( 0.835 0.000 -3.143) 3.252 4.245 ( 0.861 0.000 0.584) 1.041 4.300 ( 0.526 0.000 1.426) 1.520 4.337 ( 0.249 0.000 -6.128) 6.133 4.356 ( 0.306 0.000 -5.098) 5.107 4.941 ( -0.449 0.000 3.322) 3.352 4.963 ( 0.979 0.000 -1.224) 1.567 5.238 ( 1.385 0.000 -0.865) 1.633 5.246 ( 0.153 0.000 0.836) 0.850 5.374 ( -0.416 0.000 1.406) 1.466 5.404 ( -0.105 0.000 -1.695) 1.699 5.617 ( 0.811 0.000 -0.010) 0.812 5.645 ( -0.324 0.000 -0.450) 0.555 5.719 ( 0.096 0.000 2.722) 2.723 5.786 ( -0.585 0.000 -1.717) 1.814 8.263 ( 0.492 0.000 0.053) 0.495 8.286 ( 0.004 0.000 -0.543) 0.543 8.336 ( 1.371 0.000 -0.753) 1.564 8.348 ( 0.463 0.000 -0.255) 0.529 8.498 ( -1.363 0.000 0.129) 1.369 8.558 ( -3.615 0.000 -0.039) 3.615 8.588 ( 0.516 0.000 0.098) 0.526 8.710 ( -3.827 0.000 -2.545) 4.596 ======================= Grid point 112 (62/75) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -1.031 4.671 6.251) 7.872 0.700 ( 0.292 2.744 -1.542) 3.161 0.843 ( 0.087 -5.039 3.465) 6.116 0.867 ( 1.034 -5.057 1.588) 5.400 0.895 ( -0.339 2.898 2.148) 3.623 0.967 ( 0.787 -0.438 -2.825) 2.965 1.011 ( 0.971 1.692 5.523) 5.857 1.089 ( 0.247 0.269 2.869) 2.892 1.119 ( -0.374 1.464 -1.034) 1.831 1.153 ( -1.405 0.778 -4.132) 4.433 1.174 ( -1.466 -0.165 3.147) 3.476 1.217 ( 1.819 1.512 0.260) 2.380 1.362 ( 0.930 0.860 0.391) 1.326 1.414 ( -0.948 -2.601 -2.949) 4.045 1.507 ( -0.949 1.636 9.999) 10.176 1.614 ( -0.351 -0.878 0.539) 1.088 1.672 ( 2.117 0.720 -1.783) 2.860 1.707 ( 1.339 -1.668 -3.755) 4.322 1.802 ( -1.662 0.049 0.660) 1.789 1.833 ( 0.279 1.262 -2.636) 2.936 1.846 ( 0.304 -1.187 1.245) 1.746 1.897 ( -2.397 -1.218 -3.689) 4.564 2.069 ( -0.636 0.307 1.826) 1.958 2.104 ( 0.391 -1.857 -0.352) 1.930 2.114 ( 1.456 -0.742 1.263) 2.066 2.135 ( -0.142 -0.875 0.594) 1.067 2.169 ( 2.131 0.505 -0.944) 2.385 2.209 ( -0.102 -1.427 -3.810) 4.070 2.551 ( -0.808 -0.341 2.083) 2.260 2.575 ( -0.665 -1.222 -0.583) 1.508 2.626 ( 0.598 0.854 0.599) 1.202 2.638 ( -0.493 0.019 -0.367) 0.615 2.806 ( 0.739 2.134 3.727) 4.358 2.878 ( -0.203 0.087 -0.318) 0.388 2.890 ( 0.106 0.812 -0.481) 0.949 2.930 ( -0.823 -0.002 -2.081) 2.238 3.505 ( -0.389 1.795 9.605) 9.779 3.565 ( -1.076 -0.637 7.027) 7.137 3.587 ( 1.262 0.324 -0.244) 1.326 3.615 ( -0.294 -1.397 3.639) 3.909 3.685 ( -0.338 1.761 -0.524) 1.868 3.719 ( 0.006 0.467 -2.473) 2.516 3.753 ( 0.237 1.021 4.844) 4.956 3.813 ( 0.041 -2.293 1.443) 2.710 3.873 ( 0.274 -0.754 0.551) 0.974 3.898 ( 0.630 -1.362 -1.107) 1.865 3.947 ( -0.250 1.994 0.004) 2.010 3.986 ( -0.431 -0.240 -2.713) 2.758 4.149 ( -0.638 0.947 2.582) 2.824 4.200 ( -0.525 -1.010 -0.858) 1.425 4.265 ( 0.530 0.139 0.609) 0.819 4.292 ( -0.080 -1.197 1.010) 1.568 4.333 ( -0.051 0.408 -6.714) 6.726 4.356 ( 0.916 -0.648 -5.811) 5.918 4.925 ( -0.464 -0.516 2.214) 2.320 4.960 ( 0.722 -2.356 -0.999) 2.659 5.249 ( -0.558 0.850 0.731) 1.253 5.268 ( 0.925 0.248 -1.098) 1.457 5.383 ( -0.402 1.637 1.028) 1.974 5.415 ( 0.498 0.750 -1.968) 2.164 5.627 ( -0.606 -0.242 0.393) 0.762 5.633 ( 0.451 -0.208 -0.090) 0.505 5.733 ( 0.116 0.717 1.907) 2.040 5.764 ( -0.565 -0.701 -0.864) 1.248 8.280 ( 0.224 0.755 0.191) 0.810 8.290 ( -0.087 0.604 -0.785) 0.994 8.339 ( -0.698 -0.499 0.152) 0.871 8.348 ( 0.376 -0.592 -0.666) 0.967 8.514 ( 1.862 1.686 0.332) 2.533 8.524 ( -1.735 2.054 -0.617) 2.759 8.602 ( 2.078 -1.645 0.670) 2.733 8.620 ( -2.800 -1.690 -1.234) 3.496 ======================= Grid point 113 (63/75) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 4.809 4.212 6.259) 8.947 0.727 ( 1.936 2.541 -1.272) 3.439 0.850 ( 0.370 -4.758 1.008) 4.878 0.888 ( 0.020 -3.607 -0.920) 3.722 0.924 ( 3.446 2.141 3.578) 5.410 0.981 ( 0.557 0.645 -2.073) 2.242 1.052 ( 2.279 0.691 5.963) 6.421 1.101 ( 0.160 -0.984 1.257) 1.605 1.135 ( 0.390 0.920 -2.418) 2.616 1.140 ( 3.250 1.602 -0.713) 3.693 1.168 ( 0.558 1.217 3.364) 3.621 1.263 ( 2.535 -0.198 -0.898) 2.697 1.370 ( -0.245 -0.916 0.601) 1.123 1.382 ( -1.620 -2.624 -3.464) 4.638 1.498 ( -0.875 1.809 8.442) 8.678 1.595 ( -1.355 -1.084 1.220) 2.121 1.680 ( -1.137 1.199 -2.613) 3.092 1.712 ( -0.350 -0.650 -7.164) 7.201 1.787 ( -0.111 0.829 2.138) 2.296 1.846 ( 1.154 -0.602 0.745) 1.499 1.851 ( -1.363 0.170 -1.432) 1.985 1.871 ( 1.476 -1.206 1.499) 2.425 2.033 ( -2.856 0.361 1.052) 3.065 2.088 ( -1.527 -2.835 -0.538) 3.265 2.120 ( -0.571 0.034 -1.252) 1.376 2.156 ( 1.080 -1.912 -0.281) 2.214 2.198 ( 0.725 1.211 -2.667) 3.018 2.207 ( 1.076 0.747 -3.189) 3.447 2.534 ( -1.280 -0.565 2.958) 3.272 2.555 ( -1.174 -1.467 0.007) 1.879 2.615 ( -1.423 0.620 -0.124) 1.557 2.640 ( 0.488 0.045 0.588) 0.765 2.819 ( 0.135 1.573 4.024) 4.322 2.870 ( -0.452 2.299 -4.355) 4.945 2.890 ( 0.422 -1.152 3.180) 3.409 2.930 ( 0.856 -0.331 -1.257) 1.556 3.514 ( 0.146 1.878 6.482) 6.751 3.555 ( -0.862 0.136 8.102) 8.149 3.603 ( -0.021 -1.055 0.376) 1.120 3.609 ( -0.882 -1.363 5.188) 5.436 3.677 ( -0.224 1.625 -1.397) 2.154 3.712 ( -0.384 0.154 -2.127) 2.167 3.752 ( -0.736 1.247 4.631) 4.852 3.813 ( -0.110 -1.320 0.724) 1.509 3.863 ( -1.129 -1.291 0.266) 1.736 3.903 ( -0.028 -2.083 -1.893) 2.814 3.945 ( -0.128 1.855 0.578) 1.947 3.977 ( -0.273 0.313 -1.962) 2.006 4.134 ( -1.241 1.249 2.812) 3.318 4.182 ( -1.193 -0.458 -0.207) 1.294 4.272 ( 0.038 -0.708 1.005) 1.230 4.289 ( -0.326 -0.964 0.740) 1.258 4.325 ( 0.047 0.887 -6.388) 6.450 4.366 ( 0.738 -0.970 -6.615) 6.727 4.919 ( -0.340 -0.034 1.993) 2.022 4.969 ( 0.324 -2.915 -1.200) 3.168 5.239 ( -0.449 1.592 0.318) 1.685 5.276 ( -0.147 0.624 -1.006) 1.193 5.373 ( -0.607 1.165 1.103) 1.715 5.419 ( 0.134 0.476 -1.965) 2.026 5.612 ( -0.713 0.005 0.804) 1.075 5.637 ( -0.168 -0.675 0.072) 0.700 5.740 ( 0.226 0.507 2.155) 2.225 5.758 ( -0.013 -0.319 -0.729) 0.795 8.279 ( -0.292 0.588 -0.415) 0.777 8.287 ( -0.006 0.684 -0.288) 0.742 8.320 ( -1.160 0.019 0.432) 1.239 8.344 ( -0.697 -0.514 -0.311) 0.920 8.516 ( 0.936 1.535 -0.602) 1.896 8.570 ( 3.004 1.881 0.883) 3.653 8.589 ( 0.348 -1.627 -1.767) 2.427 8.657 ( 3.010 -1.963 1.059) 3.746 ======================= Grid point 114 (64/75) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.278 0.916 1.572) 2.223 0.773 ( 2.364 0.455 0.633) 2.489 0.844 ( -1.686 -1.933 -0.331) 2.587 0.874 ( -0.954 -1.848 -1.564) 2.602 0.989 ( 1.720 1.027 2.691) 3.355 1.009 ( 3.103 0.872 2.211) 3.909 1.080 ( 0.166 -0.895 3.151) 3.280 1.134 ( 2.534 -2.221 2.368) 4.118 1.161 ( 2.661 1.330 -1.519) 3.340 1.188 ( 0.666 -0.430 4.128) 4.203 1.218 ( 3.489 2.803 0.340) 4.489 1.304 ( 1.810 -1.249 -1.289) 2.549 1.361 ( 0.259 -2.658 -3.109) 4.099 1.370 ( 0.916 -2.019 -0.011) 2.218 1.496 ( -0.516 2.076 6.417) 6.765 1.569 ( -1.768 -0.201 1.351) 2.235 1.636 ( -2.592 2.749 -4.051) 5.540 1.674 ( -2.320 0.493 -7.796) 8.149 1.796 ( 0.284 1.181 2.365) 2.658 1.830 ( 0.105 0.923 1.256) 1.562 1.882 ( 0.191 -2.504 3.149) 4.028 1.890 ( 0.713 -2.740 0.997) 3.001 1.986 ( -1.450 1.544 0.626) 2.209 2.053 ( -1.734 -2.280 -1.697) 3.329 2.103 ( -0.714 1.443 -2.989) 3.395 2.153 ( -0.622 -0.634 -5.593) 5.663 2.205 ( 0.699 2.217 -1.509) 2.772 2.235 ( 1.014 0.729 0.614) 1.392 2.514 ( -0.495 -0.915 2.331) 2.553 2.542 ( -0.221 -1.946 0.304) 1.982 2.595 ( -0.528 0.592 0.428) 0.901 2.635 ( -1.101 -0.696 0.065) 1.304 2.826 ( 0.212 1.787 4.569) 4.911 2.878 ( 1.876 2.286 -3.856) 4.860 2.907 ( 0.763 -1.358 3.312) 3.660 2.952 ( 1.374 -0.852 -1.113) 1.963 3.514 ( -0.718 1.388 1.857) 2.427 3.552 ( -0.696 0.530 9.957) 9.996 3.577 ( -2.677 -1.165 0.948) 3.070 3.596 ( -1.078 -1.115 8.057) 8.205 3.676 ( 0.345 0.937 -2.465) 2.660 3.703 ( -0.223 -0.083 -2.125) 2.138 3.742 ( -0.786 1.072 5.013) 5.187 3.811 ( -0.684 -1.849 1.503) 2.479 3.837 ( -1.071 -0.430 -0.103) 1.159 3.893 ( -0.682 -2.045 -2.602) 3.379 3.940 ( -0.315 1.837 0.478) 1.924 3.969 ( -0.339 0.589 -1.326) 1.490 4.112 ( -1.207 1.307 2.600) 3.151 4.157 ( -1.228 -0.308 0.160) 1.276 4.271 ( -0.201 -0.664 1.692) 1.829 4.281 ( -0.622 -0.838 0.422) 1.126 4.319 ( 0.130 1.082 -6.520) 6.611 4.367 ( 0.209 -1.084 -6.993) 7.079 4.919 ( 0.116 0.246 1.986) 2.005 4.970 ( -0.039 -2.626 -0.955) 2.794 5.234 ( -0.111 2.302 0.017) 2.305 5.262 ( -1.052 1.915 -0.130) 2.189 5.368 ( -0.053 -0.308 1.212) 1.252 5.417 ( -0.116 -0.380 -1.867) 1.909 5.607 ( 0.024 -0.308 0.911) 0.962 5.630 ( -0.437 -0.775 0.334) 0.950 5.745 ( -0.047 0.624 2.119) 2.209 5.760 ( 0.354 -0.102 -0.868) 0.943 8.273 ( -0.080 0.867 -0.668) 1.097 8.290 ( 0.237 0.414 -0.016) 0.478 8.300 ( -0.884 0.164 0.219) 0.925 8.326 ( -0.997 -0.434 0.047) 1.088 8.546 ( 1.932 1.038 -0.648) 2.287 8.587 ( 0.533 -0.290 -0.212) 0.643 8.654 ( 4.222 0.247 -1.522) 4.495 8.709 ( 2.014 -1.713 1.086) 2.858 ======================= Grid point 115 (65/75) ======================= q-point: ( 0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -0.040 -0.449 2.696) 2.734 0.796 ( -1.889 0.758 -1.157) 2.341 0.802 ( 0.933 -1.793 0.130) 2.026 0.842 ( -2.136 -0.707 -1.176) 2.539 1.029 ( 0.638 -0.268 3.971) 4.031 1.050 ( 1.747 -1.379 2.625) 3.441 1.088 ( 0.323 -0.640 2.405) 2.509 1.154 ( -0.600 -1.263 1.206) 1.846 1.171 ( -1.600 -1.787 1.981) 3.110 1.237 ( 3.815 -3.041 -1.179) 5.019 1.289 ( 3.635 1.552 1.975) 4.418 1.321 ( -0.036 -1.325 1.931) 2.342 1.387 ( 1.254 -0.778 -2.392) 2.810 1.402 ( 2.091 0.013 -1.230) 2.426 1.482 ( -1.575 2.218 4.309) 5.096 1.522 ( -2.954 1.577 1.305) 3.594 1.585 ( -1.707 4.709 -5.035) 7.102 1.632 ( -0.593 0.407 -5.871) 5.915 1.805 ( 0.900 -0.482 0.791) 1.292 1.839 ( -1.313 -2.355 0.719) 2.791 1.867 ( 1.194 0.211 2.948) 3.188 1.914 ( 0.811 -1.553 4.748) 5.061 1.969 ( -0.972 1.198 -0.964) 1.819 2.023 ( -1.159 -1.692 -2.074) 2.917 2.091 ( -0.230 2.533 -3.651) 4.449 2.126 ( -1.273 1.001 -5.916) 6.134 2.228 ( 0.259 1.070 1.388) 1.772 2.236 ( 0.553 1.119 -0.108) 1.252 2.522 ( 0.681 -1.054 2.009) 2.369 2.547 ( 0.663 -2.182 -0.404) 2.316 2.590 ( -0.113 -0.101 0.318) 0.352 2.609 ( -1.187 -0.303 -0.646) 1.385 2.837 ( 0.199 1.964 4.402) 4.824 2.911 ( 1.188 1.924 -3.150) 3.878 2.925 ( 0.557 -1.524 3.884) 4.209 2.977 ( 1.303 -0.889 -1.532) 2.199 3.503 ( -0.137 0.414 0.411) 0.599 3.520 ( -2.709 -0.336 1.002) 2.908 3.547 ( -1.090 0.796 10.640) 10.725 3.591 ( -0.576 -0.997 8.765) 8.840 3.683 ( 0.564 0.532 -2.416) 2.538 3.699 ( 0.090 0.007 -2.486) 2.487 3.732 ( -1.014 0.544 6.026) 6.135 3.779 ( -2.136 -2.023 4.850) 5.673 3.838 ( 0.491 0.591 -1.412) 1.607 3.878 ( -0.027 -1.299 -3.651) 3.875 3.941 ( 0.387 1.136 -0.084) 1.203 3.961 ( -0.205 0.487 -1.362) 1.461 4.099 ( -0.259 1.194 2.369) 2.665 4.141 ( -0.195 -0.512 -0.239) 0.598 4.261 ( -1.149 -0.095 0.994) 1.522 4.272 ( -0.208 -0.769 1.747) 1.920 4.318 ( 0.668 0.901 -7.032) 7.121 4.361 ( 0.065 -0.996 -6.817) 6.890 4.926 ( 0.282 0.124 2.152) 2.174 4.965 ( -0.329 -1.961 -0.683) 2.102 5.235 ( 0.247 2.667 0.051) 2.679 5.243 ( -0.800 2.246 0.365) 2.412 5.372 ( 0.213 -1.023 1.334) 1.695 5.411 ( -0.199 -1.264 -1.839) 2.240 5.609 ( -0.113 -0.512 1.424) 1.517 5.625 ( 0.008 -0.549 -0.052) 0.551 5.743 ( -0.316 0.950 1.883) 2.133 5.769 ( 0.625 -0.269 -1.125) 1.315 8.276 ( 0.408 0.863 -0.483) 1.070 8.283 ( -0.672 0.710 -0.007) 0.978 8.300 ( 0.615 -0.213 -0.277) 0.708 8.308 ( -0.799 -0.285 0.192) 0.870 8.577 ( 1.117 0.551 -0.382) 1.302 8.592 ( -0.161 -0.076 -0.428) 0.463 8.725 ( 3.029 -0.643 -2.060) 3.719 8.731 ( 0.126 -0.837 0.399) 0.936 ======================= Grid point 116 (66/75) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -3.020 1.388 4.458) 5.561 0.794 ( -1.896 0.086 0.945) 2.121 0.814 ( 1.925 -0.970 -0.537) 2.221 0.820 ( 0.732 -1.780 0.423) 1.971 1.008 ( -2.495 -0.305 5.643) 6.178 1.069 ( -1.575 -3.893 2.422) 4.848 1.105 ( 1.203 -1.485 1.400) 2.369 1.135 ( -0.294 1.410 -0.844) 1.669 1.148 ( -1.505 -2.725 3.598) 4.758 1.268 ( -0.648 -4.460 -3.207) 5.532 1.300 ( -2.499 1.072 2.058) 3.410 1.337 ( 0.677 -1.612 1.643) 2.399 1.376 ( -2.397 2.529 -1.849) 3.945 1.435 ( 1.407 -0.296 -3.294) 3.594 1.469 ( -0.071 2.422 4.777) 5.357 1.483 ( 0.120 1.968 2.805) 3.429 1.575 ( 0.941 3.674 -3.100) 4.898 1.634 ( 1.177 1.177 -5.858) 6.090 1.815 ( -0.439 -2.009 -0.272) 2.074 1.837 ( 2.242 -1.971 0.627) 3.050 1.910 ( 1.498 0.516 3.061) 3.447 1.931 ( 0.242 -0.436 4.987) 5.011 1.951 ( 0.249 1.235 -2.496) 2.796 2.004 ( -0.443 -1.500 -1.059) 1.888 2.075 ( -1.021 1.629 -1.980) 2.759 2.096 ( -1.025 1.314 -4.666) 4.955 2.204 ( -1.483 2.010 1.811) 3.086 2.266 ( 0.986 -0.562 -1.104) 1.583 2.533 ( 0.026 -1.070 0.815) 1.345 2.560 ( 0.565 -2.017 -1.238) 2.433 2.587 ( 0.319 0.591 0.696) 0.967 2.606 ( 0.733 -0.264 -0.355) 0.857 2.832 ( -1.359 2.140 3.820) 4.585 2.916 ( -0.082 1.404 -1.928) 2.387 2.923 ( -1.314 -1.089 3.151) 3.583 2.988 ( -0.129 -1.059 -2.416) 2.641 3.494 ( 0.118 0.618 1.446) 1.577 3.520 ( 1.038 -0.379 4.499) 4.633 3.538 ( -0.350 0.864 7.698) 7.755 3.593 ( -0.172 -1.477 7.621) 7.764 3.689 ( 0.168 0.513 -0.932) 1.077 3.700 ( 0.093 0.222 -1.717) 1.734 3.714 ( -0.999 0.831 4.610) 4.789 3.766 ( 0.119 -1.922 5.157) 5.505 3.838 ( -0.100 0.720 -1.213) 1.415 3.886 ( 0.651 -1.998 -2.384) 3.179 3.953 ( 0.820 1.316 -0.962) 1.824 3.963 ( 0.628 0.572 -1.730) 1.927 4.110 ( 0.995 1.129 2.052) 2.545 4.151 ( 1.219 -0.621 -1.288) 1.879 4.243 ( -0.662 0.497 0.785) 1.140 4.271 ( -0.073 -0.887 1.849) 2.052 4.329 ( 1.147 0.474 -6.518) 6.636 4.355 ( 0.164 -0.703 -6.388) 6.428 4.933 ( 0.065 -0.253 2.305) 2.320 4.956 ( -0.534 -1.368 -0.522) 1.558 5.233 ( -0.252 2.150 0.325) 2.189 5.243 ( 0.520 2.335 0.268) 2.407 5.377 ( 0.114 -0.824 1.289) 1.534 5.406 ( -0.106 -1.485 -1.743) 2.292 5.606 ( -0.263 -0.135 1.419) 1.449 5.628 ( 0.203 -0.924 0.013) 0.946 5.739 ( -0.331 1.374 1.520) 2.076 5.780 ( 0.591 -0.632 -1.403) 1.648 8.271 ( -0.440 0.924 -0.113) 1.030 8.288 ( 0.916 0.612 -0.476) 1.200 8.296 ( -0.476 -0.085 0.155) 0.508 8.314 ( 0.829 -0.412 -0.411) 1.013 8.575 ( -1.440 0.101 -0.075) 1.445 8.587 ( -0.237 -0.135 -0.076) 0.283 8.711 ( -2.016 0.555 -0.368) 2.123 8.763 ( 0.902 -1.566 -2.923) 3.436 ======================= Grid point 117 (67/75) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.245 2.532 5.327) 6.028 0.761 ( -1.516 0.778 2.115) 2.716 0.832 ( 0.183 -2.547 2.063) 3.283 0.850 ( 1.349 -2.363 0.288) 2.736 0.961 ( -2.938 0.556 7.132) 7.734 1.025 ( -2.818 -3.872 1.481) 5.012 1.094 ( -3.252 -1.785 1.933) 4.183 1.098 ( -1.478 0.586 -3.264) 3.631 1.166 ( 1.151 1.318 5.095) 5.387 1.216 ( -3.133 1.032 0.241) 3.308 1.255 ( -2.484 -0.047 0.031) 2.484 1.287 ( -4.910 2.364 -3.955) 6.734 1.346 ( 0.010 -2.159 -0.825) 2.311 1.428 ( -0.843 -2.394 -4.087) 4.811 1.483 ( 0.640 2.473 8.522) 8.897 1.539 ( 3.361 -0.510 4.075) 5.307 1.599 ( 1.781 2.417 -3.351) 4.499 1.651 ( 1.208 1.421 -4.978) 5.317 1.820 ( 0.630 -0.467 -0.962) 1.241 1.875 ( 0.592 0.017 -1.086) 1.237 1.901 ( -1.677 -0.712 0.640) 1.931 1.934 ( -0.110 -1.670 0.429) 1.728 1.991 ( 3.116 0.425 1.242) 3.382 2.019 ( 2.032 -0.696 1.293) 2.508 2.062 ( 0.167 0.098 -0.289) 0.348 2.083 ( 0.477 0.899 -2.622) 2.812 2.184 ( -0.913 1.997 0.945) 2.390 2.257 ( -1.660 -1.483 -1.217) 2.537 2.536 ( 0.673 -0.696 -0.204) 0.989 2.567 ( 0.596 -1.593 -0.967) 1.956 2.601 ( 0.240 1.096 -0.246) 1.149 2.632 ( 1.965 -0.398 0.546) 2.078 2.798 ( -2.178 2.898 3.217) 4.847 2.895 ( -1.335 -0.893 2.021) 2.581 2.908 ( -0.614 0.960 -0.977) 1.501 2.973 ( -0.855 -0.979 -2.922) 3.198 3.512 ( -0.420 0.880 9.470) 9.520 3.525 ( 1.019 1.297 2.886) 3.324 3.577 ( 2.199 -1.145 3.771) 4.513 3.597 ( -0.464 -1.736 5.753) 6.027 3.687 ( -0.006 0.800 2.031) 2.183 3.701 ( 0.319 0.901 -0.438) 1.052 3.716 ( 0.577 0.946 -0.120) 1.115 3.785 ( 1.063 -2.934 4.662) 5.610 3.838 ( 0.372 0.821 -0.877) 1.257 3.888 ( -0.083 -1.737 -0.753) 1.895 3.961 ( 0.122 1.553 -0.830) 1.765 3.982 ( 1.252 0.220 -2.423) 2.736 4.135 ( 1.119 0.997 1.864) 2.392 4.179 ( 1.655 -0.780 -1.970) 2.689 4.240 ( 0.271 0.751 0.546) 0.968 4.275 ( 0.353 -1.089 1.512) 1.896 4.340 ( 0.589 0.182 -5.723) 5.756 4.352 ( 0.346 -0.384 -6.134) 6.156 4.934 ( -0.262 -0.631 2.322) 2.421 4.947 ( -0.260 -1.082 -0.343) 1.164 5.234 ( 0.413 1.730 0.031) 1.779 5.253 ( 0.390 1.509 0.596) 1.669 5.380 ( 0.145 -0.007 0.910) 0.921 5.404 ( 0.119 -0.795 -1.482) 1.686 5.606 ( 0.223 0.033 0.854) 0.883 5.632 ( 0.200 -1.188 0.316) 1.246 5.735 ( -0.244 1.557 1.303) 2.045 5.785 ( 0.058 -0.897 -1.526) 1.771 8.267 ( 0.028 1.016 -0.079) 1.019 8.290 ( -0.112 0.148 -0.080) 0.202 8.309 ( 1.280 0.188 -0.655) 1.450 8.330 ( 0.821 -0.509 -0.369) 1.034 8.538 ( -2.088 0.381 0.150) 2.128 8.575 ( -0.849 -1.023 0.521) 1.428 8.657 ( -3.274 1.995 -1.144) 4.001 8.750 ( -1.833 -2.118 -3.195) 4.249 ======================= Grid point 118 (68/75) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -2.317 2.615 5.221) 6.283 0.729 ( -2.308 2.309 0.937) 3.396 0.834 ( 0.073 -3.621 2.837) 4.601 0.862 ( 0.006 -3.946 0.665) 4.002 0.916 ( -2.309 2.643 5.430) 6.466 0.981 ( -1.702 -2.540 0.130) 3.060 1.016 ( -2.854 1.250 2.579) 4.044 1.088 ( -0.096 -0.670 -0.099) 0.684 1.145 ( -2.403 1.511 1.942) 3.440 1.200 ( 0.147 2.539 1.746) 3.085 1.201 ( -3.278 1.639 -4.565) 5.854 1.206 ( -2.141 -0.714 1.728) 2.843 1.345 ( 0.510 0.309 -0.819) 1.014 1.422 ( 0.323 -3.490 -2.793) 4.481 1.503 ( 0.137 2.168 10.254) 10.481 1.598 ( 2.092 -1.279 2.304) 3.364 1.629 ( 1.892 1.467 -3.811) 4.501 1.677 ( 1.930 -0.256 -2.964) 3.546 1.828 ( 0.347 0.482 -1.153) 1.297 1.847 ( -2.816 -0.073 -0.061) 2.817 1.862 ( -1.312 0.605 -1.410) 2.019 1.936 ( -0.744 -3.081 -3.116) 4.445 2.049 ( 2.229 0.177 2.322) 3.223 2.069 ( 2.731 -0.586 -0.701) 2.880 2.082 ( 1.609 -0.337 1.163) 2.013 2.115 ( 2.468 -0.157 0.395) 2.504 2.162 ( -1.440 0.429 0.809) 1.706 2.222 ( -1.181 -1.469 -2.349) 3.012 2.553 ( 0.537 -0.298 0.558) 0.830 2.579 ( 0.498 -1.111 -0.760) 1.435 2.607 ( 0.892 0.692 -0.179) 1.143 2.650 ( -0.533 -0.838 0.116) 1.000 2.784 ( 0.599 3.517 3.548) 5.031 2.884 ( -0.216 -1.000 2.424) 2.631 2.892 ( -0.680 1.596 -2.131) 2.748 2.952 ( -0.903 -0.673 -2.989) 3.194 3.506 ( -0.954 1.380 11.208) 11.333 3.557 ( 1.504 0.762 0.562) 1.777 3.585 ( -1.276 -1.147 6.692) 6.909 3.610 ( 0.578 -1.116 2.973) 3.228 3.690 ( -0.073 1.371 -0.403) 1.431 3.715 ( 0.850 0.549 -1.764) 2.034 3.732 ( 0.993 1.081 3.390) 3.694 3.807 ( 0.503 -2.979 2.681) 4.039 3.854 ( 1.213 0.030 0.463) 1.299 3.888 ( 0.315 -1.220 -0.643) 1.414 3.956 ( -0.501 1.948 -0.614) 2.103 3.994 ( 0.185 -0.279 -2.515) 2.537 4.151 ( 0.224 0.832 2.136) 2.303 4.201 ( 0.627 -1.217 -1.464) 2.004 4.252 ( 0.742 0.696 0.271) 1.053 4.287 ( 0.512 -1.191 1.081) 1.688 4.339 ( 0.243 0.244 -6.218) 6.227 4.351 ( 0.277 -0.389 -5.557) 5.577 4.930 ( -0.338 -0.771 2.327) 2.475 4.948 ( 0.436 -1.424 -0.482) 1.565 5.248 ( 0.968 0.963 -0.431) 1.432 5.256 ( -0.142 0.751 0.766) 1.082 5.384 ( 0.109 1.049 0.940) 1.413 5.407 ( 0.441 0.205 -1.696) 1.764 5.617 ( 0.782 0.011 0.253) 0.822 5.635 ( -0.018 -0.911 0.321) 0.966 5.732 ( -0.161 1.258 1.447) 1.924 5.778 ( -0.568 -0.919 -1.303) 1.692 8.272 ( 0.434 0.953 0.036) 1.048 8.290 ( 0.107 0.344 -0.427) 0.558 8.333 ( 1.120 -0.297 -0.786) 1.400 8.343 ( 0.380 -0.560 -0.202) 0.706 8.506 ( -0.946 0.992 0.372) 1.420 8.562 ( -0.917 -0.860 0.619) 1.402 8.594 ( -2.236 1.861 -1.124) 3.119 8.691 ( -3.678 -2.064 -2.428) 4.866 ======================= Grid point 119 (69/75) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.406 -7.257 3.618) 8.119 0.720 ( 0.406 7.257 3.618) 8.119 0.771 ( 0.023 -4.865 0.249) 4.871 0.771 ( 0.023 4.865 0.249) 4.871 0.950 ( 0.390 -2.114 1.239) 2.482 0.950 ( 0.390 2.114 1.239) 2.482 1.058 ( 0.812 -3.140 4.686) 5.699 1.058 ( 0.812 3.140 4.686) 5.699 1.139 ( -0.823 -1.048 -0.132) 1.339 1.139 ( -0.823 1.048 -0.132) 1.339 1.218 ( -0.347 -2.418 -3.195) 4.022 1.218 ( -0.347 2.418 -3.195) 4.022 1.371 ( 0.174 -1.407 0.035) 1.418 1.371 ( 0.174 1.407 0.035) 1.418 1.567 ( -0.866 -4.063 6.033) 7.325 1.567 ( -0.866 4.063 6.033) 7.325 1.685 ( 1.739 -0.787 -3.589) 4.065 1.685 ( 1.739 0.787 -3.589) 4.065 1.818 ( -0.996 -1.633 1.347) 2.339 1.818 ( -0.996 1.633 1.347) 2.339 1.864 ( -0.519 -2.086 -3.074) 3.751 1.864 ( -0.519 2.086 -3.074) 3.751 2.079 ( -0.481 -0.916 0.951) 1.406 2.079 ( -0.481 0.916 0.951) 1.406 2.117 ( 0.527 -0.909 1.122) 1.537 2.117 ( 0.527 0.909 1.122) 1.537 2.182 ( 1.378 -1.205 -3.136) 3.631 2.182 ( 1.378 1.205 -3.136) 3.631 2.557 ( -0.899 -0.824 0.453) 1.301 2.557 ( -0.899 0.824 0.453) 1.301 2.633 ( 0.297 -0.272 0.135) 0.424 2.633 ( 0.297 0.272 0.135) 0.424 2.851 ( 0.037 -2.473 3.286) 4.113 2.851 ( 0.037 2.473 3.286) 4.113 2.918 ( -0.333 -1.414 -2.723) 3.086 2.918 ( -0.333 1.414 -2.723) 3.086 3.541 ( -0.229 -1.996 8.511) 8.745 3.541 ( -0.229 1.996 8.511) 8.745 3.596 ( -0.094 -0.738 1.550) 1.720 3.596 ( -0.094 0.738 1.550) 1.720 3.715 ( -0.299 -1.267 -0.835) 1.546 3.715 ( -0.299 1.267 -0.835) 1.546 3.774 ( 0.494 -1.591 2.727) 3.196 3.774 ( 0.494 1.591 2.727) 3.196 3.875 ( 0.214 -0.913 -0.377) 1.010 3.875 ( 0.214 0.913 -0.377) 1.010 3.975 ( -0.323 -1.113 -1.197) 1.666 3.975 ( -0.323 1.113 -1.197) 1.666 4.173 ( -0.392 -1.679 1.320) 2.172 4.173 ( -0.392 1.679 1.320) 2.172 4.273 ( 0.025 -0.822 0.775) 1.130 4.273 ( 0.025 0.822 0.775) 1.130 4.344 ( 0.461 -0.705 -6.558) 6.611 4.344 ( 0.461 0.705 -6.558) 6.611 4.927 ( 0.012 -0.985 0.697) 1.207 4.927 ( 0.012 0.985 0.697) 1.207 5.263 ( 0.141 -0.686 0.037) 0.701 5.263 ( 0.141 0.686 0.037) 0.701 5.413 ( 0.210 -1.169 -0.879) 1.477 5.413 ( 0.210 1.169 -0.879) 1.477 5.628 ( -0.033 -0.288 0.359) 0.461 5.628 ( -0.033 0.288 0.359) 0.461 5.749 ( -0.236 -0.946 0.284) 1.016 5.749 ( -0.236 0.946 0.284) 1.016 8.293 ( -0.002 -0.475 -0.047) 0.477 8.293 ( -0.002 0.475 -0.047) 0.477 8.337 ( -0.009 -0.421 -0.558) 0.698 8.337 ( -0.009 0.421 -0.558) 0.698 8.547 ( 1.307 -1.135 0.022) 1.732 8.547 ( 1.307 1.135 0.022) 1.732 8.585 ( -1.631 -1.402 -0.587) 2.229 8.585 ( -1.631 1.402 -0.587) 2.229 ======================= Grid point 121 (70/75) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.925 -4.582 3.563) 5.878 0.751 ( 0.925 4.582 3.563) 5.878 0.802 ( 3.141 -4.110 -1.392) 5.357 0.802 ( 3.141 4.110 -1.392) 5.357 0.970 ( 1.736 -1.952 0.522) 2.664 0.970 ( 1.736 1.952 0.522) 2.664 1.073 ( 0.152 -1.663 4.452) 4.755 1.073 ( 0.152 1.663 4.452) 4.755 1.151 ( 1.734 -0.236 0.842) 1.942 1.151 ( 1.734 0.236 0.842) 1.942 1.225 ( 1.612 -3.786 -2.560) 4.846 1.225 ( 1.612 3.786 -2.560) 4.846 1.353 ( -1.649 -0.270 -0.753) 1.833 1.353 ( -1.649 0.270 -0.753) 1.833 1.552 ( -1.040 -3.486 5.399) 6.510 1.552 ( -1.040 3.486 5.399) 6.510 1.699 ( -0.045 -0.977 -5.114) 5.207 1.699 ( -0.045 0.977 -5.114) 5.207 1.817 ( 0.579 -2.348 3.015) 3.865 1.817 ( 0.579 2.348 3.015) 3.865 1.856 ( -0.201 -0.473 -1.452) 1.540 1.856 ( -0.201 0.473 -1.452) 1.540 2.050 ( -2.046 -1.522 0.481) 2.595 2.050 ( -2.046 1.522 0.481) 2.595 2.127 ( 0.437 -1.015 -0.967) 1.468 2.127 ( 0.437 1.015 -0.967) 1.468 2.211 ( 1.734 -0.339 -3.160) 3.620 2.211 ( 1.734 0.339 -3.160) 3.620 2.535 ( -1.433 -0.700 1.406) 2.126 2.535 ( -1.433 0.700 1.406) 2.126 2.629 ( -0.695 -1.002 0.083) 1.222 2.629 ( -0.695 1.002 0.083) 1.222 2.858 ( 0.122 -2.362 3.924) 4.581 2.858 ( 0.122 2.362 3.924) 4.581 2.911 ( 0.197 -1.894 -2.782) 3.371 2.911 ( 0.197 1.894 -2.782) 3.371 3.549 ( -0.097 -1.459 7.306) 7.451 3.549 ( -0.097 1.459 7.306) 7.451 3.590 ( -0.854 -0.261 2.687) 2.831 3.590 ( -0.854 0.261 2.687) 2.831 3.705 ( -0.597 -1.169 -0.985) 1.641 3.705 ( -0.597 1.169 -0.985) 1.641 3.779 ( -0.276 -1.930 2.684) 3.317 3.779 ( -0.276 1.930 2.684) 3.317 3.869 ( -0.668 -1.484 -1.350) 2.114 3.869 ( -0.668 1.484 -1.350) 2.114 3.971 ( -0.069 -0.950 -0.505) 1.078 3.971 ( -0.069 0.950 -0.505) 1.078 4.161 ( -1.031 -1.658 1.564) 2.501 4.161 ( -1.031 1.658 1.564) 2.501 4.272 ( -0.217 -0.711 0.869) 1.144 4.272 ( -0.217 0.711 0.869) 1.144 4.345 ( 0.443 -1.279 -6.668) 6.804 4.345 ( 0.443 1.279 -6.668) 6.804 4.929 ( 0.091 -1.354 0.604) 1.486 4.929 ( 0.091 1.354 0.604) 1.486 5.266 ( 0.114 -1.343 -0.091) 1.351 5.266 ( 0.114 1.343 -0.091) 1.351 5.408 ( -0.606 -1.804 -1.054) 2.176 5.408 ( -0.606 1.804 -1.054) 2.176 5.621 ( -0.605 -0.939 0.672) 1.303 5.621 ( -0.605 0.939 0.672) 1.303 5.750 ( 0.229 -0.539 0.455) 0.742 5.750 ( 0.229 0.539 0.455) 0.742 8.289 ( -0.229 -0.476 -0.167) 0.554 8.289 ( -0.229 0.476 -0.167) 0.554 8.329 ( -0.708 -0.951 -0.251) 1.212 8.329 ( -0.708 0.951 -0.251) 1.212 8.552 ( 0.399 -2.324 -1.276) 2.681 8.552 ( 0.399 2.324 -1.276) 2.681 8.613 ( 3.048 -2.746 0.992) 4.221 8.613 ( 3.048 2.746 0.992) 4.221 ======================= Grid point 123 (71/75) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.161 -1.969 2.649) 3.304 0.759 ( -0.161 1.969 2.649) 3.304 0.838 ( 0.326 -1.549 -2.041) 2.583 0.838 ( 0.326 1.549 -2.041) 2.583 1.011 ( 1.788 -0.858 0.904) 2.180 1.011 ( 1.788 0.858 0.904) 2.180 1.086 ( 0.797 -1.835 3.297) 3.857 1.086 ( 0.797 1.835 3.297) 3.857 1.185 ( 0.936 -0.687 1.905) 2.231 1.185 ( 0.936 0.687 1.905) 2.231 1.267 ( 2.346 -2.594 -0.820) 3.592 1.267 ( 2.346 2.594 -0.820) 3.592 1.338 ( 1.361 -0.771 -1.377) 2.084 1.338 ( 1.361 0.771 -1.377) 2.084 1.542 ( -0.810 -2.599 4.474) 5.238 1.542 ( -0.810 2.599 4.474) 5.238 1.674 ( -1.617 -1.074 -6.509) 6.793 1.674 ( -1.617 1.074 -6.509) 6.793 1.824 ( -0.894 -2.039 1.301) 2.579 1.824 ( -0.894 2.039 1.301) 2.579 1.857 ( 0.835 -1.125 2.846) 3.172 1.857 ( 0.835 1.125 2.846) 3.172 2.016 ( -1.318 -1.885 -0.552) 2.365 2.016 ( -1.318 1.885 -0.552) 2.365 2.131 ( 0.256 -1.614 -3.647) 3.996 2.131 ( 0.256 1.614 -3.647) 3.996 2.236 ( 0.990 -0.896 -1.291) 1.857 2.236 ( 0.990 0.896 -1.291) 1.857 2.513 ( -0.676 -0.952 1.303) 1.750 2.513 ( -0.676 0.952 1.303) 1.750 2.613 ( -0.906 -1.425 0.315) 1.718 2.613 ( -0.906 1.425 0.315) 1.718 2.867 ( 0.506 -2.521 4.179) 4.907 2.867 ( 0.506 2.521 4.179) 4.907 2.925 ( 1.414 -2.141 -2.520) 3.596 2.925 ( 1.414 2.141 -2.520) 3.596 3.544 ( -1.394 -1.745 2.326) 3.225 3.544 ( -1.394 1.745 2.326) 3.225 3.573 ( -1.106 -1.245 7.856) 8.031 3.573 ( -1.106 1.245 7.856) 8.031 3.695 ( -0.175 -0.907 -1.612) 1.858 3.695 ( -0.175 0.907 -1.612) 1.858 3.769 ( -1.162 -2.068 3.729) 4.420 3.769 ( -1.162 2.068 3.729) 4.420 3.856 ( -0.267 -1.840 -2.261) 2.927 3.856 ( -0.267 1.840 -2.261) 2.927 3.966 ( -0.376 -0.872 -0.223) 0.975 3.966 ( -0.376 0.872 -0.223) 0.975 4.140 ( -1.264 -1.563 1.581) 2.557 4.140 ( -1.264 1.563 1.581) 2.557 4.268 ( -0.292 -0.447 1.024) 1.155 4.268 ( -0.292 0.447 1.024) 1.155 4.343 ( 0.179 -1.491 -6.859) 7.022 4.343 ( 0.179 1.491 -6.859) 7.022 4.933 ( 0.198 -1.404 0.610) 1.543 4.933 ( 0.198 1.404 0.610) 1.543 5.267 ( 0.027 -1.325 0.125) 1.332 5.267 ( 0.027 1.325 0.125) 1.332 5.391 ( -0.881 -2.267 -0.889) 2.590 5.391 ( -0.881 2.267 -0.889) 2.590 5.612 ( -0.264 -0.920 1.035) 1.410 5.612 ( -0.264 0.920 1.035) 1.410 5.755 ( 0.239 -0.483 0.297) 0.615 5.755 ( 0.239 0.483 0.297) 0.615 8.287 ( 0.065 -0.597 -0.370) 0.705 8.287 ( 0.065 0.597 -0.370) 0.705 8.313 ( -0.890 -0.999 0.095) 1.341 8.313 ( -0.890 0.999 0.095) 1.341 8.570 ( 1.312 -1.451 -1.109) 2.248 8.570 ( 1.312 1.451 -1.109) 2.248 8.674 ( 2.922 -1.902 0.433) 3.514 8.674 ( 2.922 1.902 0.433) 3.514 ======================= Grid point 125 (72/75) ======================= q-point: ( 0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.096 -1.833 3.185) 3.676 0.759 ( -0.096 1.833 3.185) 3.676 0.822 ( -1.268 -1.491 -1.875) 2.710 0.822 ( -1.268 1.491 -1.875) 2.710 1.033 ( 0.264 -0.533 2.024) 2.110 1.033 ( 0.264 0.533 2.024) 2.110 1.101 ( -0.136 -2.212 3.823) 4.419 1.101 ( -0.136 2.212 3.823) 4.419 1.187 ( 0.046 -2.104 -2.609) 3.352 1.187 ( 0.046 2.104 -2.609) 3.352 1.306 ( 1.565 -0.629 2.460) 2.983 1.306 ( 1.565 0.629 2.460) 2.983 1.391 ( 2.850 -0.954 -0.803) 3.110 1.391 ( 2.850 0.954 -0.803) 3.110 1.522 ( -1.784 -1.613 3.369) 4.139 1.522 ( -1.784 1.613 3.369) 4.139 1.636 ( -1.042 -0.734 -6.405) 6.531 1.636 ( -1.042 0.734 -6.405) 6.531 1.805 ( -0.625 -0.605 0.089) 0.874 1.805 ( -0.625 0.605 0.089) 0.874 1.886 ( 1.442 -1.370 4.326) 4.762 1.886 ( 1.442 1.370 4.326) 4.762 1.993 ( -1.047 -1.559 -1.506) 2.407 1.993 ( -1.047 1.559 -1.506) 2.407 2.127 ( -0.397 -1.148 -4.110) 4.286 2.127 ( -0.397 1.148 -4.110) 4.286 2.245 ( 0.073 -0.366 0.549) 0.664 2.245 ( 0.073 0.366 0.549) 0.664 2.518 ( 0.884 -0.791 0.457) 1.271 2.518 ( 0.884 0.791 0.457) 1.271 2.595 ( -0.791 -0.818 -0.058) 1.139 2.595 ( -0.791 0.818 -0.058) 1.139 2.882 ( 0.249 -2.766 4.446) 5.242 2.882 ( 0.249 2.766 4.446) 5.242 2.951 ( 1.309 -2.042 -2.467) 3.460 2.951 ( 1.309 2.042 -2.467) 3.460 3.512 ( -1.442 -0.547 0.821) 1.747 3.512 ( -1.442 0.547 0.821) 1.747 3.567 ( -0.795 -1.417 9.448) 9.587 3.567 ( -0.795 1.417 9.448) 9.587 3.695 ( 0.317 -0.596 -1.945) 2.059 3.695 ( 0.317 0.596 -1.945) 2.059 3.748 ( -1.406 -1.300 4.940) 5.298 3.748 ( -1.406 1.300 4.940) 5.298 3.854 ( 0.242 -1.249 -2.390) 2.707 3.854 ( 0.242 1.249 -2.390) 2.707 3.960 ( -0.054 -0.671 -0.594) 0.898 3.960 ( -0.054 0.671 -0.594) 0.898 4.124 ( -0.311 -1.386 1.212) 1.867 4.124 ( -0.311 1.386 1.212) 1.867 4.262 ( -0.492 -0.257 1.266) 1.383 4.262 ( -0.492 0.257 1.266) 1.383 4.339 ( 0.332 -1.336 -6.996) 7.130 4.339 ( 0.332 1.336 -6.996) 7.130 4.936 ( 0.064 -1.120 0.683) 1.313 4.936 ( 0.064 1.120 0.683) 1.313 5.267 ( -0.094 -0.677 0.506) 0.850 5.267 ( -0.094 0.677 0.506) 0.850 5.377 ( -0.376 -1.927 -0.699) 2.085 5.377 ( -0.376 1.927 -0.699) 2.085 5.612 ( -0.043 -0.716 1.137) 1.345 5.612 ( -0.043 0.716 1.137) 1.345 5.760 ( 0.196 -0.775 0.013) 0.799 5.760 ( 0.196 0.775 0.013) 0.799 8.291 ( 0.238 -0.571 -0.447) 0.764 8.291 ( 0.238 0.571 -0.447) 0.764 8.299 ( -0.449 -0.651 0.131) 0.802 8.299 ( -0.449 0.651 0.131) 0.802 8.588 ( 0.378 -0.477 -0.567) 0.832 8.588 ( 0.378 0.477 -0.567) 0.832 8.719 ( 1.624 -0.194 -0.654) 1.762 8.719 ( 1.624 0.194 -0.654) 1.762 ======================= Grid point 127 (73/75) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -1.006 -3.603 3.611) 5.199 0.754 ( -1.006 3.603 3.611) 5.199 0.806 ( -0.013 -0.488 -0.263) 0.555 0.806 ( -0.013 0.488 -0.263) 0.555 1.016 ( -2.337 -1.609 4.507) 5.326 1.016 ( -2.337 1.609 4.507) 5.326 1.101 ( 0.123 -1.225 1.274) 1.772 1.101 ( 0.123 1.225 1.274) 1.772 1.191 ( 0.537 -3.869 -2.010) 4.393 1.191 ( 0.537 3.869 -2.010) 4.393 1.317 ( -1.029 -0.939 1.908) 2.362 1.317 ( -1.029 0.939 1.908) 2.362 1.417 ( -0.529 -1.792 -2.732) 3.310 1.417 ( -0.529 1.792 -2.732) 3.310 1.497 ( -0.474 -0.605 4.845) 4.905 1.497 ( -0.474 0.605 4.845) 4.905 1.628 ( 0.873 -2.126 -5.506) 5.966 1.628 ( 0.873 2.126 -5.506) 5.966 1.809 ( 1.122 -1.089 -0.180) 1.574 1.809 ( 1.122 1.089 -0.180) 1.574 1.918 ( 0.974 -0.690 3.745) 3.931 1.918 ( 0.974 0.690 3.745) 3.931 1.976 ( -0.079 -1.572 -1.753) 2.356 1.976 ( -0.079 1.572 -1.753) 2.356 2.102 ( -1.528 -0.864 -2.361) 2.942 2.102 ( -1.528 0.864 -2.361) 2.942 2.243 ( -0.451 -2.043 0.653) 2.192 2.243 ( -0.451 2.043 0.653) 2.192 2.532 ( 0.349 -0.959 -0.823) 1.311 2.532 ( 0.349 0.959 -0.823) 1.311 2.595 ( 0.945 -0.587 0.069) 1.115 2.595 ( 0.945 0.587 0.069) 1.115 2.879 ( -1.193 -2.812 4.287) 5.264 2.879 ( -1.193 2.812 4.287) 5.264 2.958 ( -0.252 -2.206 -2.745) 3.531 2.958 ( -0.252 2.206 -2.745) 3.531 3.508 ( 0.875 -0.826 2.224) 2.528 3.508 ( 0.875 0.826 2.224) 2.528 3.563 ( -0.680 -1.748 8.327) 8.536 3.563 ( -0.680 1.748 8.327) 8.536 3.700 ( 0.367 -0.382 -1.376) 1.474 3.700 ( 0.367 0.382 -1.376) 1.474 3.733 ( -0.583 -1.500 4.944) 5.199 3.733 ( -0.583 1.500 4.944) 5.199 3.856 ( 0.208 -1.353 -1.838) 2.291 3.856 ( 0.208 1.353 -1.838) 2.291 3.967 ( 0.776 -0.241 -1.129) 1.392 3.967 ( 0.776 0.241 -1.129) 1.392 4.133 ( 1.064 -1.333 0.615) 1.813 4.133 ( 1.064 1.333 0.615) 1.813 4.255 ( -0.280 -0.841 1.196) 1.488 4.255 ( -0.280 0.841 1.196) 1.488 4.340 ( 0.636 -0.835 -6.666) 6.748 4.340 ( 0.636 0.835 -6.666) 6.748 4.936 ( -0.220 -0.700 0.754) 1.053 4.936 ( -0.220 0.700 0.754) 1.053 5.265 ( -0.199 -0.607 0.716) 0.959 5.265 ( -0.199 0.607 0.716) 0.959 5.376 ( 0.340 -1.223 -0.600) 1.404 5.376 ( 0.340 1.223 -0.600) 1.404 5.612 ( -0.085 -0.774 1.126) 1.369 5.612 ( -0.085 0.774 1.126) 1.369 5.763 ( 0.146 -1.240 -0.286) 1.281 5.763 ( 0.146 1.240 -0.286) 1.281 8.288 ( -0.269 -0.712 -0.130) 0.772 8.288 ( -0.269 0.712 -0.130) 0.772 8.303 ( 0.651 -0.813 -0.304) 1.085 8.303 ( 0.651 0.813 -0.304) 1.085 8.580 ( -1.059 -0.507 0.096) 1.178 8.580 ( -1.059 0.507 0.096) 1.178 8.731 ( -0.307 -1.718 -1.774) 2.489 8.731 ( -0.307 1.718 -1.774) 2.489 ======================= Grid point 129 (74/75) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.663 -4.471 3.759) 5.879 0.740 ( -0.663 4.471 3.759) 5.879 0.807 ( -0.387 -1.801 1.800) 2.575 0.807 ( -0.387 1.801 1.800) 2.575 0.975 ( -2.037 -1.387 5.105) 5.669 0.975 ( -2.037 1.387 5.105) 5.669 1.092 ( -1.444 -0.798 -0.887) 1.873 1.092 ( -1.444 0.798 -0.887) 1.873 1.200 ( -0.076 -2.154 1.599) 2.684 1.200 ( -0.076 2.154 1.599) 2.684 1.282 ( -2.142 -2.526 -0.421) 3.339 1.282 ( -2.142 2.526 -0.421) 3.339 1.367 ( -2.791 -3.958 -4.179) 6.397 1.367 ( -2.791 3.958 -4.179) 6.397 1.522 ( 1.648 -1.658 6.499) 6.906 1.522 ( 1.648 1.658 6.499) 6.906 1.644 ( 1.092 -2.125 -4.643) 5.221 1.644 ( 1.092 2.125 -4.643) 5.221 1.839 ( 1.530 -2.364 -0.608) 2.881 1.839 ( 1.530 2.364 -0.608) 2.881 1.912 ( -1.572 -1.100 0.385) 1.957 1.912 ( -1.572 1.100 0.385) 1.957 2.003 ( 2.515 -0.912 0.561) 2.733 2.003 ( 2.515 0.912 0.561) 2.733 2.079 ( -0.218 -1.309 -0.669) 1.486 2.079 ( -0.218 1.309 -0.669) 1.486 2.223 ( -1.684 -2.287 0.223) 2.849 2.223 ( -1.684 2.287 0.223) 2.849 2.540 ( 0.921 -1.094 -1.206) 1.871 2.540 ( 0.921 1.094 -1.206) 1.871 2.619 ( 0.989 -0.998 -0.026) 1.405 2.619 ( 0.989 0.998 -0.026) 1.405 2.854 ( -1.441 -3.004 3.895) 5.126 2.854 ( -1.441 3.004 3.895) 5.126 2.944 ( -0.668 -2.161 -2.983) 3.743 2.944 ( -0.668 2.161 -2.983) 3.743 3.533 ( 0.449 -1.103 7.240) 7.337 3.533 ( 0.449 1.103 7.240) 7.337 3.568 ( 0.774 -1.110 3.548) 3.797 3.568 ( 0.774 1.110 3.548) 3.797 3.706 ( 0.530 -0.635 -0.730) 1.104 3.706 ( 0.530 0.635 -0.730) 1.104 3.738 ( 0.404 -1.924 4.092) 4.540 3.738 ( 0.404 1.924 4.092) 4.540 3.858 ( 0.279 -1.479 -1.132) 1.883 3.858 ( 0.279 1.479 -1.132) 1.883 3.980 ( 0.607 -0.524 -1.331) 1.554 3.980 ( 0.607 0.524 -1.331) 1.554 4.158 ( 1.168 -1.458 0.472) 1.927 4.158 ( 1.168 1.458 0.472) 1.927 4.256 ( 0.322 -1.015 0.776) 1.318 4.256 ( 0.322 1.015 0.776) 1.318 4.345 ( 0.520 -0.385 -6.243) 6.277 4.345 ( 0.520 0.385 -6.243) 6.277 4.931 ( -0.323 -0.452 0.803) 0.977 4.931 ( -0.323 0.452 0.803) 0.977 5.262 ( -0.158 -0.803 0.646) 1.042 5.262 ( -0.158 0.803 0.646) 1.042 5.387 ( 0.829 -0.869 -0.525) 1.310 5.387 ( 0.829 0.869 -0.525) 1.310 5.613 ( 0.185 -0.815 0.952) 1.267 5.613 ( 0.185 0.815 0.952) 1.267 5.763 ( -0.133 -1.510 -0.402) 1.568 5.763 ( -0.133 1.510 -0.402) 1.568 8.285 ( 0.041 -0.781 -0.156) 0.797 8.285 ( 0.041 0.781 -0.156) 0.797 8.318 ( 0.877 -0.751 -0.409) 1.225 8.318 ( 0.877 0.751 -0.409) 1.225 8.553 ( -1.576 -1.229 0.530) 2.068 8.553 ( -1.576 1.229 0.530) 2.068 8.703 ( -2.305 -2.944 -2.345) 4.413 8.703 ( -2.305 2.944 -2.345) 4.413 ======================= Grid point 131 (75/75) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.016 -5.908 3.852) 7.126 0.732 ( -1.016 5.908 3.852) 7.126 0.789 ( -1.568 -3.847 1.696) 4.487 0.789 ( -1.568 3.847 1.696) 4.487 0.952 ( -0.936 -1.264 3.578) 3.908 0.952 ( -0.936 1.264 3.578) 3.908 1.056 ( -1.366 -2.635 0.997) 3.131 1.056 ( -1.366 2.635 0.997) 3.131 1.173 ( -2.410 -1.803 2.358) 3.824 1.173 ( -2.410 1.803 2.358) 3.824 1.242 ( -1.635 -0.348 -4.022) 4.356 1.242 ( -1.635 0.348 -4.022) 4.356 1.352 ( 1.240 -2.697 -0.818) 3.080 1.352 ( 1.240 2.697 -0.818) 3.080 1.558 ( 1.012 -3.164 6.450) 7.255 1.558 ( 1.012 3.164 6.450) 7.255 1.659 ( 1.188 -1.655 -3.871) 4.374 1.659 ( 1.188 1.655 -3.871) 4.374 1.843 ( -1.189 -0.588 0.072) 1.328 1.843 ( -1.189 0.588 0.072) 1.328 1.882 ( -1.003 -2.207 -2.085) 3.198 1.882 ( -1.003 2.207 -2.085) 3.198 2.055 ( 2.409 -0.665 0.781) 2.618 2.055 ( 2.409 0.665 0.781) 2.618 2.096 ( 1.561 -1.553 0.263) 2.218 2.096 ( 1.561 1.553 0.263) 2.218 2.187 ( -1.590 -2.165 -0.631) 2.759 2.187 ( -1.590 2.165 -0.631) 2.759 2.560 ( 0.808 -0.859 -0.899) 1.483 2.560 ( 0.808 0.859 -0.899) 1.483 2.627 ( 0.106 -1.407 0.435) 1.476 2.627 ( 0.106 1.407 0.435) 1.476 2.846 ( 0.040 -3.044 3.374) 4.545 2.846 ( 0.040 3.044 3.374) 4.545 2.929 ( -0.491 -1.955 -3.005) 3.619 2.929 ( -0.491 1.955 -3.005) 3.619 3.539 ( -0.530 -2.135 9.206) 9.465 3.539 ( -0.530 2.135 9.206) 9.465 3.590 ( 0.680 -1.259 1.351) 1.968 3.590 ( 0.680 1.259 1.351) 1.968 3.716 ( 0.388 -1.028 -1.200) 1.627 3.716 ( 0.388 1.028 -1.200) 1.627 3.756 ( 0.878 -2.019 3.792) 4.385 3.756 ( 0.878 2.019 3.792) 4.385 3.866 ( 0.598 -1.119 -0.506) 1.366 3.866 ( 0.598 1.119 -0.506) 1.366 3.983 ( -0.173 -1.014 -1.390) 1.729 3.983 ( -0.173 1.014 -1.390) 1.729 4.173 ( 0.294 -1.630 0.944) 1.906 4.173 ( 0.294 1.630 0.944) 1.906 4.267 ( 0.542 -0.991 0.494) 1.233 4.267 ( 0.542 0.991 0.494) 1.233 4.345 ( 0.266 -0.349 -6.234) 6.250 4.345 ( 0.266 0.349 -6.234) 6.250 4.927 ( -0.125 -0.594 0.792) 0.998 4.927 ( -0.125 0.594 0.792) 0.998 5.261 ( 0.027 -0.295 0.367) 0.471 5.261 ( 0.027 0.295 0.367) 0.471 5.403 ( 0.806 -0.784 -0.599) 1.274 5.403 ( 0.806 0.784 -0.599) 1.274 5.621 ( 0.484 -0.542 0.617) 0.953 5.621 ( 0.484 0.542 0.617) 0.953 5.757 ( -0.452 -1.386 -0.192) 1.471 5.757 ( -0.452 1.386 -0.192) 1.471 8.289 ( 0.323 -0.662 -0.132) 0.748 8.289 ( 0.323 0.662 -0.132) 0.748 8.332 ( 0.562 -0.398 -0.498) 0.850 8.332 ( 0.562 0.398 -0.498) 0.850 8.533 ( -0.278 -1.890 0.624) 2.009 8.533 ( -0.278 1.890 0.624) 2.009 8.643 ( -3.367 -3.073 -2.003) 4.979 8.643 ( -3.367 3.073 -2.003) 4.979 =================== 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 3/14112 10.0 8.117 12.346 13.022 0.000 -0.840 0.000 3/14112 20.0 2.463 3.928 4.532 0.000 -0.231 0.000 3/14112 30.0 1.380 2.228 2.656 0.000 -0.127 0.000 3/14112 40.0 0.952 1.543 1.891 0.000 -0.089 0.000 3/14112 50.0 0.727 1.182 1.479 0.000 -0.069 0.000 3/14112 60.0 0.591 0.961 1.220 0.000 -0.057 0.000 3/14112 70.0 0.499 0.812 1.041 0.000 -0.049 0.000 3/14112 80.0 0.432 0.705 0.910 0.000 -0.043 0.000 3/14112 90.0 0.383 0.624 0.810 0.000 -0.039 0.000 3/14112 100.0 0.343 0.560 0.730 0.000 -0.035 0.000 3/14112 110.0 0.312 0.509 0.665 0.000 -0.032 0.000 3/14112 120.0 0.286 0.467 0.611 0.000 -0.030 0.000 3/14112 130.0 0.264 0.431 0.565 0.000 -0.028 0.000 3/14112 140.0 0.246 0.401 0.526 0.000 -0.026 0.000 3/14112 150.0 0.230 0.375 0.492 0.000 -0.025 0.000 3/14112 160.0 0.216 0.352 0.462 0.000 -0.023 0.000 3/14112 170.0 0.204 0.332 0.435 0.000 -0.022 0.000 3/14112 180.0 0.193 0.314 0.412 0.000 -0.021 0.000 3/14112 190.0 0.183 0.298 0.391 0.000 -0.020 0.000 3/14112 200.0 0.174 0.283 0.372 0.000 -0.019 0.000 3/14112 210.0 0.166 0.270 0.355 0.000 -0.018 0.000 3/14112 220.0 0.159 0.258 0.339 0.000 -0.017 0.000 3/14112 230.0 0.152 0.247 0.325 0.000 -0.017 0.000 3/14112 240.0 0.146 0.237 0.312 0.000 -0.016 0.000 3/14112 250.0 0.140 0.228 0.300 0.000 -0.016 0.000 3/14112 260.0 0.135 0.219 0.288 0.000 -0.015 0.000 3/14112 270.0 0.130 0.212 0.278 0.000 -0.014 0.000 3/14112 280.0 0.126 0.204 0.268 0.000 -0.014 0.000 3/14112 290.0 0.122 0.197 0.259 0.000 -0.014 0.000 3/14112 300.0 0.118 0.191 0.251 0.000 -0.013 0.000 3/14112 310.0 0.114 0.185 0.243 0.000 -0.013 0.000 3/14112 320.0 0.111 0.179 0.236 0.000 -0.012 0.000 3/14112 330.0 0.108 0.174 0.229 0.000 -0.012 0.000 3/14112 340.0 0.105 0.169 0.222 0.000 -0.012 0.000 3/14112 350.0 0.102 0.164 0.216 0.000 -0.011 0.000 3/14112 360.0 0.099 0.160 0.210 0.000 -0.011 0.000 3/14112 370.0 0.096 0.156 0.204 0.000 -0.011 0.000 3/14112 380.0 0.094 0.152 0.199 0.000 -0.011 0.000 3/14112 390.0 0.092 0.148 0.194 0.000 -0.010 0.000 3/14112 400.0 0.090 0.144 0.190 0.000 -0.010 0.000 3/14112 410.0 0.087 0.141 0.185 0.000 -0.010 0.000 3/14112 420.0 0.085 0.138 0.181 0.000 -0.010 0.000 3/14112 430.0 0.084 0.134 0.177 0.000 -0.009 0.000 3/14112 440.0 0.082 0.131 0.173 0.000 -0.009 0.000 3/14112 450.0 0.080 0.129 0.169 0.000 -0.009 0.000 3/14112 460.0 0.078 0.126 0.165 0.000 -0.009 0.000 3/14112 470.0 0.077 0.123 0.162 0.000 -0.009 0.000 3/14112 480.0 0.075 0.121 0.159 0.000 -0.008 0.000 3/14112 490.0 0.074 0.118 0.155 0.000 -0.008 0.000 3/14112 500.0 0.072 0.116 0.152 0.000 -0.008 0.000 3/14112 510.0 0.071 0.114 0.149 0.000 -0.008 0.000 3/14112 520.0 0.070 0.112 0.147 0.000 -0.008 0.000 3/14112 530.0 0.068 0.110 0.144 0.000 -0.008 0.000 3/14112 540.0 0.067 0.108 0.141 0.000 -0.008 0.000 3/14112 550.0 0.066 0.106 0.139 0.000 -0.007 0.000 3/14112 560.0 0.065 0.104 0.136 0.000 -0.007 0.000 3/14112 570.0 0.064 0.102 0.134 0.000 -0.007 0.000 3/14112 580.0 0.063 0.100 0.132 0.000 -0.007 0.000 3/14112 590.0 0.062 0.099 0.129 0.000 -0.007 0.000 3/14112 600.0 0.061 0.097 0.127 0.000 -0.007 0.000 3/14112 610.0 0.060 0.096 0.125 0.000 -0.007 0.000 3/14112 620.0 0.059 0.094 0.123 0.000 -0.007 0.000 3/14112 630.0 0.058 0.093 0.121 0.000 -0.007 0.000 3/14112 640.0 0.057 0.091 0.120 0.000 -0.006 0.000 3/14112 650.0 0.056 0.090 0.118 0.000 -0.006 0.000 3/14112 660.0 0.055 0.088 0.116 0.000 -0.006 0.000 3/14112 670.0 0.054 0.087 0.114 0.000 -0.006 0.000 3/14112 680.0 0.054 0.086 0.113 0.000 -0.006 0.000 3/14112 690.0 0.053 0.085 0.111 0.000 -0.006 0.000 3/14112 700.0 0.052 0.083 0.109 0.000 -0.006 0.000 3/14112 710.0 0.052 0.082 0.108 0.000 -0.006 0.000 3/14112 720.0 0.051 0.081 0.106 0.000 -0.006 0.000 3/14112 730.0 0.050 0.080 0.105 0.000 -0.006 0.000 3/14112 740.0 0.050 0.079 0.104 0.000 -0.006 0.000 3/14112 750.0 0.049 0.078 0.102 0.000 -0.006 0.000 3/14112 760.0 0.048 0.077 0.101 0.000 -0.005 0.000 3/14112 770.0 0.048 0.076 0.100 0.000 -0.005 0.000 3/14112 780.0 0.047 0.075 0.098 0.000 -0.005 0.000 3/14112 790.0 0.046 0.074 0.097 0.000 -0.005 0.000 3/14112 800.0 0.046 0.073 0.096 0.000 -0.005 0.000 3/14112 810.0 0.045 0.072 0.095 0.000 -0.005 0.000 3/14112 820.0 0.045 0.071 0.094 0.000 -0.005 0.000 3/14112 830.0 0.044 0.071 0.093 0.000 -0.005 0.000 3/14112 840.0 0.044 0.070 0.091 0.000 -0.005 0.000 3/14112 850.0 0.043 0.069 0.090 0.000 -0.005 0.000 3/14112 860.0 0.043 0.068 0.089 0.000 -0.005 0.000 3/14112 870.0 0.042 0.067 0.088 0.000 -0.005 0.000 3/14112 880.0 0.042 0.067 0.087 0.000 -0.005 0.000 3/14112 890.0 0.041 0.066 0.086 0.000 -0.005 0.000 3/14112 900.0 0.041 0.065 0.085 0.000 -0.005 0.000 3/14112 910.0 0.041 0.064 0.085 0.000 -0.005 0.000 3/14112 920.0 0.040 0.064 0.084 0.000 -0.005 0.000 3/14112 930.0 0.040 0.063 0.083 0.000 -0.005 0.000 3/14112 940.0 0.039 0.062 0.082 0.000 -0.004 0.000 3/14112 950.0 0.039 0.062 0.081 0.000 -0.004 0.000 3/14112 960.0 0.038 0.061 0.080 0.000 -0.004 0.000 3/14112 970.0 0.038 0.061 0.079 0.000 -0.004 0.000 3/14112 980.0 0.038 0.060 0.079 0.000 -0.004 0.000 3/14112 990.0 0.037 0.059 0.078 0.000 -0.004 0.000 3/14112 1000.0 0.037 0.059 0.077 0.000 -0.004 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:37:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|