----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.252913740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.037788709999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): *1 O 0.75506974347544 0.41287228849364 0.49458716655649 15.999 2 O 0.25506974347544 0.08712771150636 0.50541283344351 15.999 3 O 0.24493025652456 0.91287228849364 0.00541283344351 15.999 4 O 0.74493025652456 0.58712771150636 0.99458716655649 15.999 *5 O 0.73410313338745 0.11379028087662 0.56861102752375 15.999 6 O 0.23410313338745 0.38620971912338 0.43138897247626 15.999 7 O 0.26589686661256 0.61379028087662 0.93138897247625 15.999 8 O 0.76589686661255 0.88620971912338 0.06861102752374 15.999 *9 O 0.82121241195642 0.35868611612913 0.82131166131078 15.999 10 O 0.32121241195642 0.14131388387087 0.17868833868922 15.999 11 O 0.17878758804358 0.85868611612913 0.67868833868922 15.999 12 O 0.67878758804358 0.64131388387087 0.32131166131078 15.999 *13 O 0.66910712427726 0.94816580919024 0.80039044620606 15.999 14 O 0.16910712427726 0.55183419080976 0.19960955379394 15.999 15 O 0.33089287572274 0.44816580919024 0.69960955379394 15.999 16 O 0.83089287572274 0.05183419080976 0.30039044620606 15.999 *17 O 0.68766164500777 0.64181794950141 0.73680883706451 15.999 18 O 0.18766164500777 0.85818205049859 0.26319116293549 15.999 19 O 0.31233835499223 0.14181794950141 0.76319116293549 15.999 20 O 0.81233835499223 0.35818205049859 0.23680883706451 15.999 *21 O 0.58492120414133 0.84414326254505 0.52750817452023 15.999 22 O 0.08492120414133 0.65585673745495 0.47249182547977 15.999 23 O 0.41507879585867 0.34414326254505 0.97249182547977 15.999 24 O 0.91507879585867 0.15585673745495 0.02750817452023 15.999 *25 Y 0.96091824072261 0.78244875396397 0.86582696710153 88.906 26 Y 0.46091824072261 0.71755124603603 0.13417303289846 88.906 27 Y 0.03908175927739 0.28244875396397 0.63417303289847 88.906 28 Y 0.53908175927739 0.21755124603603 0.36582696710153 88.906 *29 Y 0.52086121621313 0.10317468177350 0.96280892063922 88.906 30 Y 0.02086121621313 0.39682531822650 0.03719107936078 88.906 31 Y 0.47913878378687 0.60317468177350 0.53719107936078 88.906 32 Y 0.97913878378687 0.89682531822650 0.46280892063923 88.906 *33 Te 0.46075521639328 0.99466954598522 0.64858128688451 127.600 34 Te 0.96075521639328 0.50533045401478 0.35141871311549 127.600 35 Te 0.53924478360672 0.49466954598522 0.85141871311549 127.600 36 Te 0.03924478360672 0.00533045401478 0.14858128688451 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.252913740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.037788709999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): *1 O 0.75506974347544 0.41287228849364 0.49458716655649 15.999 > 1 2 O 0.25506974347544 0.08712771150636 0.50541283344351 15.999 > 2 3 O 0.24493025652456 0.91287228849364 0.00541283344351 15.999 > 3 4 O 0.74493025652456 0.58712771150636 0.99458716655649 15.999 > 4 *5 O 0.73410313338745 0.11379028087662 0.56861102752375 15.999 > 5 6 O 0.23410313338745 0.38620971912338 0.43138897247626 15.999 > 6 7 O 0.26589686661256 0.61379028087662 0.93138897247625 15.999 > 7 8 O 0.76589686661255 0.88620971912338 0.06861102752374 15.999 > 8 *9 O 0.82121241195642 0.35868611612913 0.82131166131078 15.999 > 9 10 O 0.32121241195642 0.14131388387087 0.17868833868922 15.999 > 10 11 O 0.17878758804358 0.85868611612913 0.67868833868922 15.999 > 11 12 O 0.67878758804358 0.64131388387087 0.32131166131078 15.999 > 12 *13 O 0.66910712427726 0.94816580919024 0.80039044620606 15.999 > 13 14 O 0.16910712427726 0.55183419080976 0.19960955379394 15.999 > 14 15 O 0.33089287572274 0.44816580919024 0.69960955379394 15.999 > 15 16 O 0.83089287572274 0.05183419080976 0.30039044620606 15.999 > 16 *17 O 0.68766164500777 0.64181794950141 0.73680883706451 15.999 > 17 18 O 0.18766164500777 0.85818205049859 0.26319116293549 15.999 > 18 19 O 0.31233835499223 0.14181794950141 0.76319116293549 15.999 > 19 20 O 0.81233835499223 0.35818205049859 0.23680883706451 15.999 > 20 *21 O 0.58492120414133 0.84414326254505 0.52750817452023 15.999 > 21 22 O 0.08492120414133 0.65585673745495 0.47249182547977 15.999 > 22 23 O 0.41507879585867 0.34414326254505 0.97249182547977 15.999 > 23 24 O 0.91507879585867 0.15585673745495 0.02750817452023 15.999 > 24 *25 Y 0.96091824072261 0.78244875396397 0.86582696710153 88.906 > 25 26 Y 0.46091824072261 0.71755124603603 0.13417303289846 88.906 > 26 27 Y 0.03908175927739 0.28244875396397 0.63417303289847 88.906 > 27 28 Y 0.53908175927739 0.21755124603603 0.36582696710153 88.906 > 28 *29 Y 0.52086121621313 0.10317468177350 0.96280892063922 88.906 > 29 30 Y 0.02086121621313 0.39682531822650 0.03719107936078 88.906 > 30 31 Y 0.47913878378687 0.60317468177350 0.53719107936078 88.906 > 31 32 Y 0.97913878378687 0.89682531822650 0.46280892063923 88.906 > 32 *33 Te 0.46075521639328 0.99466954598522 0.64858128688451 127.600 > 33 34 Te 0.96075521639328 0.50533045401478 0.35141871311549 127.600 > 34 35 Te 0.53924478360672 0.49466954598522 0.85141871311549 127.600 > 35 36 Te 0.03924478360672 0.00533045401478 0.14858128688451 127.600 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.505827480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.075577419999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): *1 O 0.37753487173772 0.20643614424682 0.49458716655649 15.999 > 1 2 O 0.87753487173772 0.20643614424682 0.49458716655649 15.999 > 1 3 O 0.37753487173772 0.70643614424682 0.49458716655649 15.999 > 1 4 O 0.87753487173772 0.70643614424682 0.49458716655649 15.999 > 1 5 O 0.12753487173772 0.04356385575318 0.50541283344351 15.999 > 2 6 O 0.62753487173772 0.04356385575318 0.50541283344351 15.999 > 2 7 O 0.12753487173772 0.54356385575318 0.50541283344351 15.999 > 2 8 O 0.62753487173772 0.54356385575318 0.50541283344351 15.999 > 2 9 O 0.12246512826228 0.45643614424682 0.00541283344351 15.999 > 3 10 O 0.62246512826228 0.45643614424682 0.00541283344351 15.999 > 3 11 O 0.12246512826228 0.95643614424682 0.00541283344351 15.999 > 3 12 O 0.62246512826228 0.95643614424682 0.00541283344351 15.999 > 3 13 O 0.37246512826228 0.29356385575318 0.99458716655649 15.999 > 4 14 O 0.87246512826228 0.29356385575318 0.99458716655649 15.999 > 4 15 O 0.37246512826228 0.79356385575318 0.99458716655649 15.999 > 4 16 O 0.87246512826228 0.79356385575318 0.99458716655649 15.999 > 4 *17 O 0.36705156669372 0.05689514043831 0.56861102752375 15.999 > 5 18 O 0.86705156669372 0.05689514043831 0.56861102752375 15.999 > 5 19 O 0.36705156669372 0.55689514043831 0.56861102752375 15.999 > 5 20 O 0.86705156669372 0.55689514043831 0.56861102752375 15.999 > 5 21 O 0.11705156669372 0.19310485956169 0.43138897247626 15.999 > 6 22 O 0.61705156669372 0.19310485956169 0.43138897247626 15.999 > 6 23 O 0.11705156669372 0.69310485956169 0.43138897247626 15.999 > 6 24 O 0.61705156669372 0.69310485956169 0.43138897247626 15.999 > 6 25 O 0.13294843330628 0.30689514043831 0.93138897247625 15.999 > 7 26 O 0.63294843330628 0.30689514043831 0.93138897247625 15.999 > 7 27 O 0.13294843330628 0.80689514043831 0.93138897247625 15.999 > 7 28 O 0.63294843330628 0.80689514043831 0.93138897247625 15.999 > 7 29 O 0.38294843330628 0.44310485956169 0.06861102752374 15.999 > 8 30 O 0.88294843330628 0.44310485956169 0.06861102752374 15.999 > 8 31 O 0.38294843330628 0.94310485956169 0.06861102752374 15.999 > 8 32 O 0.88294843330628 0.94310485956169 0.06861102752374 15.999 > 8 *33 O 0.41060620597821 0.17934305806457 0.82131166131078 15.999 > 9 34 O 0.91060620597821 0.17934305806457 0.82131166131078 15.999 > 9 35 O 0.41060620597821 0.67934305806457 0.82131166131078 15.999 > 9 36 O 0.91060620597821 0.67934305806457 0.82131166131078 15.999 > 9 37 O 0.16060620597821 0.07065694193543 0.17868833868922 15.999 > 10 38 O 0.66060620597821 0.07065694193543 0.17868833868922 15.999 > 10 39 O 0.16060620597821 0.57065694193543 0.17868833868922 15.999 > 10 40 O 0.66060620597821 0.57065694193543 0.17868833868922 15.999 > 10 41 O 0.08939379402179 0.42934305806457 0.67868833868922 15.999 > 11 42 O 0.58939379402179 0.42934305806457 0.67868833868922 15.999 > 11 43 O 0.08939379402179 0.92934305806457 0.67868833868922 15.999 > 11 44 O 0.58939379402179 0.92934305806457 0.67868833868922 15.999 > 11 45 O 0.33939379402179 0.32065694193543 0.32131166131078 15.999 > 12 46 O 0.83939379402179 0.32065694193543 0.32131166131078 15.999 > 12 47 O 0.33939379402179 0.82065694193543 0.32131166131078 15.999 > 12 48 O 0.83939379402179 0.82065694193543 0.32131166131078 15.999 > 12 *49 O 0.33455356213863 0.47408290459512 0.80039044620606 15.999 > 13 50 O 0.83455356213863 0.47408290459512 0.80039044620606 15.999 > 13 51 O 0.33455356213863 0.97408290459512 0.80039044620606 15.999 > 13 52 O 0.83455356213863 0.97408290459512 0.80039044620606 15.999 > 13 53 O 0.08455356213863 0.27591709540488 0.19960955379394 15.999 > 14 54 O 0.58455356213863 0.27591709540488 0.19960955379394 15.999 > 14 55 O 0.08455356213863 0.77591709540488 0.19960955379394 15.999 > 14 56 O 0.58455356213863 0.77591709540488 0.19960955379394 15.999 > 14 57 O 0.16544643786137 0.22408290459512 0.69960955379394 15.999 > 15 58 O 0.66544643786137 0.22408290459512 0.69960955379394 15.999 > 15 59 O 0.16544643786137 0.72408290459512 0.69960955379394 15.999 > 15 60 O 0.66544643786137 0.72408290459512 0.69960955379394 15.999 > 15 61 O 0.41544643786137 0.02591709540488 0.30039044620606 15.999 > 16 62 O 0.91544643786137 0.02591709540488 0.30039044620606 15.999 > 16 63 O 0.41544643786137 0.52591709540488 0.30039044620606 15.999 > 16 64 O 0.91544643786137 0.52591709540488 0.30039044620606 15.999 > 16 *65 O 0.34383082250388 0.32090897475070 0.73680883706451 15.999 > 17 66 O 0.84383082250388 0.32090897475070 0.73680883706451 15.999 > 17 67 O 0.34383082250388 0.82090897475070 0.73680883706451 15.999 > 17 68 O 0.84383082250388 0.82090897475070 0.73680883706451 15.999 > 17 69 O 0.09383082250388 0.42909102524930 0.26319116293549 15.999 > 18 70 O 0.59383082250388 0.42909102524930 0.26319116293549 15.999 > 18 71 O 0.09383082250388 0.92909102524930 0.26319116293549 15.999 > 18 72 O 0.59383082250388 0.92909102524930 0.26319116293549 15.999 > 18 73 O 0.15616917749612 0.07090897475070 0.76319116293549 15.999 > 19 74 O 0.65616917749612 0.07090897475070 0.76319116293549 15.999 > 19 75 O 0.15616917749612 0.57090897475070 0.76319116293549 15.999 > 19 76 O 0.65616917749612 0.57090897475070 0.76319116293549 15.999 > 19 77 O 0.40616917749612 0.17909102524930 0.23680883706451 15.999 > 20 78 O 0.90616917749612 0.17909102524930 0.23680883706451 15.999 > 20 79 O 0.40616917749612 0.67909102524930 0.23680883706451 15.999 > 20 80 O 0.90616917749612 0.67909102524930 0.23680883706451 15.999 > 20 *81 O 0.29246060207067 0.42207163127252 0.52750817452023 15.999 > 21 82 O 0.79246060207067 0.42207163127252 0.52750817452023 15.999 > 21 83 O 0.29246060207067 0.92207163127252 0.52750817452023 15.999 > 21 84 O 0.79246060207067 0.92207163127252 0.52750817452023 15.999 > 21 85 O 0.04246060207067 0.32792836872748 0.47249182547977 15.999 > 22 86 O 0.54246060207067 0.32792836872748 0.47249182547977 15.999 > 22 87 O 0.04246060207067 0.82792836872748 0.47249182547977 15.999 > 22 88 O 0.54246060207067 0.82792836872748 0.47249182547977 15.999 > 22 89 O 0.20753939792933 0.17207163127252 0.97249182547977 15.999 > 23 90 O 0.70753939792933 0.17207163127252 0.97249182547977 15.999 > 23 91 O 0.20753939792933 0.67207163127252 0.97249182547977 15.999 > 23 92 O 0.70753939792933 0.67207163127252 0.97249182547977 15.999 > 23 93 O 0.45753939792933 0.07792836872748 0.02750817452023 15.999 > 24 94 O 0.95753939792933 0.07792836872748 0.02750817452023 15.999 > 24 95 O 0.45753939792933 0.57792836872748 0.02750817452023 15.999 > 24 96 O 0.95753939792933 0.57792836872748 0.02750817452023 15.999 > 24 *97 Y 0.48045912036131 0.39122437698199 0.86582696710153 88.906 > 25 98 Y 0.98045912036131 0.39122437698199 0.86582696710153 88.906 > 25 99 Y 0.48045912036131 0.89122437698199 0.86582696710153 88.906 > 25 100 Y 0.98045912036131 0.89122437698199 0.86582696710153 88.906 > 25 101 Y 0.23045912036131 0.35877562301801 0.13417303289846 88.906 > 26 102 Y 0.73045912036131 0.35877562301801 0.13417303289846 88.906 > 26 103 Y 0.23045912036131 0.85877562301801 0.13417303289846 88.906 > 26 104 Y 0.73045912036131 0.85877562301801 0.13417303289846 88.906 > 26 105 Y 0.01954087963870 0.14122437698199 0.63417303289847 88.906 > 27 106 Y 0.51954087963869 0.14122437698199 0.63417303289847 88.906 > 27 107 Y 0.01954087963870 0.64122437698199 0.63417303289847 88.906 > 27 108 Y 0.51954087963869 0.64122437698199 0.63417303289847 88.906 > 27 109 Y 0.26954087963869 0.10877562301801 0.36582696710153 88.906 > 28 110 Y 0.76954087963869 0.10877562301801 0.36582696710153 88.906 > 28 111 Y 0.26954087963869 0.60877562301801 0.36582696710153 88.906 > 28 112 Y 0.76954087963869 0.60877562301801 0.36582696710153 88.906 > 28 *113 Y 0.26043060810656 0.05158734088675 0.96280892063922 88.906 > 29 114 Y 0.76043060810656 0.05158734088675 0.96280892063922 88.906 > 29 115 Y 0.26043060810656 0.55158734088675 0.96280892063922 88.906 > 29 116 Y 0.76043060810656 0.55158734088675 0.96280892063922 88.906 > 29 117 Y 0.01043060810656 0.19841265911325 0.03719107936078 88.906 > 30 118 Y 0.51043060810656 0.19841265911325 0.03719107936078 88.906 > 30 119 Y 0.01043060810656 0.69841265911325 0.03719107936078 88.906 > 30 120 Y 0.51043060810656 0.69841265911325 0.03719107936078 88.906 > 30 121 Y 0.23956939189344 0.30158734088675 0.53719107936078 88.906 > 31 122 Y 0.73956939189344 0.30158734088675 0.53719107936078 88.906 > 31 123 Y 0.23956939189344 0.80158734088675 0.53719107936078 88.906 > 31 124 Y 0.73956939189344 0.80158734088675 0.53719107936078 88.906 > 31 125 Y 0.48956939189344 0.44841265911325 0.46280892063923 88.906 > 32 126 Y 0.98956939189344 0.44841265911325 0.46280892063923 88.906 > 32 127 Y 0.48956939189344 0.94841265911325 0.46280892063923 88.906 > 32 128 Y 0.98956939189344 0.94841265911325 0.46280892063923 88.906 > 32 *129 Te 0.23037760819664 0.49733477299261 0.64858128688451 127.600 > 33 130 Te 0.73037760819664 0.49733477299261 0.64858128688451 127.600 > 33 131 Te 0.23037760819664 0.99733477299261 0.64858128688451 127.600 > 33 132 Te 0.73037760819664 0.99733477299261 0.64858128688451 127.600 > 33 133 Te 0.48037760819664 0.25266522700739 0.35141871311549 127.600 > 34 134 Te 0.98037760819664 0.25266522700739 0.35141871311549 127.600 > 34 135 Te 0.48037760819664 0.75266522700739 0.35141871311549 127.600 > 34 136 Te 0.98037760819664 0.75266522700739 0.35141871311549 127.600 > 34 137 Te 0.26962239180336 0.24733477299261 0.85141871311549 127.600 > 35 138 Te 0.76962239180336 0.24733477299261 0.85141871311549 127.600 > 35 139 Te 0.26962239180336 0.74733477299261 0.85141871311549 127.600 > 35 140 Te 0.76962239180336 0.74733477299261 0.85141871311549 127.600 > 35 141 Te 0.01962239180336 0.00266522700739 0.14858128688451 127.600 > 36 142 Te 0.51962239180336 0.00266522700739 0.14858128688451 127.600 > 36 143 Te 0.01962239180336 0.50266522700739 0.14858128688451 127.600 > 36 144 Te 0.51962239180336 0.50266522700739 0.14858128688451 127.600 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0827053 0.0000000 0.0000000 0.0000000 4.0494634 0.0000000 0.0000000 0.0000000 4.1077300 -------------------------- Born effective charges -------------------------- 1 O -2.2556853 0.1181940 0.1213754 0.2123940 -2.1544554 0.2097642 0.0627932 0.1905885 -2.0416011 2 O -2.2556853 -0.1181940 -0.1213754 -0.2123940 -2.1544554 0.2097642 -0.0627932 0.1905885 -2.0416011 3 O -2.2556853 -0.1181940 0.1213754 -0.2123940 -2.1544554 -0.2097642 0.0627932 -0.1905885 -2.0416011 4 O -2.2556853 0.1181940 -0.1213754 0.2123940 -2.1544554 -0.2097642 -0.0627932 -0.1905885 -2.0416011 5 O -2.4110573 -0.5421228 0.1040739 -0.5453896 -2.2203209 0.0964227 0.1141832 0.2050188 -1.9284160 6 O -2.4110573 0.5421228 -0.1040739 0.5453896 -2.2203209 0.0964227 -0.1141832 0.2050188 -1.9284160 7 O -2.4110573 0.5421228 0.1040739 0.5453896 -2.2203209 -0.0964227 0.1141832 -0.2050188 -1.9284160 8 O -2.4110573 -0.5421228 -0.1040739 -0.5453896 -2.2203209 -0.0964227 -0.1141832 -0.2050188 -1.9284160 9 O -2.2859779 0.5562849 0.3841762 0.5407270 -1.8401631 -0.3791726 0.1989612 -0.3448156 -2.2941209 10 O -2.2859779 -0.5562849 -0.3841762 -0.5407270 -1.8401631 -0.3791726 -0.1989612 -0.3448156 -2.2941209 11 O -2.2859779 -0.5562849 0.3841762 -0.5407270 -1.8401631 0.3791726 0.1989612 0.3448156 -2.2941209 12 O -2.2859779 0.5562849 -0.3841762 0.5407270 -1.8401631 0.3791726 -0.1989612 0.3448156 -2.2941209 13 O -2.0487426 0.6710226 -0.3712881 0.7151807 -1.9239303 0.0287622 -0.5332444 0.0762277 -2.4537972 14 O -2.0487426 -0.6710226 0.3712881 -0.7151807 -1.9239303 0.0287622 0.5332444 0.0762277 -2.4537972 15 O -2.0487426 -0.6710226 -0.3712881 -0.7151807 -1.9239303 -0.0287622 -0.5332444 -0.0762277 -2.4537972 16 O -2.0487426 0.6710226 0.3712881 0.7151807 -1.9239303 -0.0287622 0.5332444 -0.0762277 -2.4537972 17 O -1.7647855 -0.5263311 -0.3587863 -0.6209818 -1.9122349 0.0470030 -0.3999946 0.0406362 -2.3040699 18 O -1.7647855 0.5263311 0.3587863 0.6209818 -1.9122349 0.0470030 0.3999946 0.0406362 -2.3040699 19 O -1.7647855 0.5263311 -0.3587863 0.6209818 -1.9122349 -0.0470030 -0.3999946 -0.0406362 -2.3040699 20 O -1.7647855 -0.5263311 0.3587863 -0.6209818 -1.9122349 -0.0470030 0.3999946 -0.0406362 -2.3040699 21 O -2.2553638 -0.0860305 0.4881749 -0.0597490 -2.5935574 -0.3049887 0.5362629 -0.2352087 -1.5527344 22 O -2.2553638 0.0860305 -0.4881749 0.0597490 -2.5935574 -0.3049887 -0.5362629 -0.2352087 -1.5527344 23 O -2.2553638 0.0860305 0.4881749 0.0597490 -2.5935574 0.3049887 0.5362629 0.2352087 -1.5527344 24 O -2.2553638 -0.0860305 -0.4881749 -0.0597490 -2.5935574 0.3049887 -0.5362629 0.2352087 -1.5527344 25 Y 4.2488129 -0.0853698 0.1183820 0.0790183 4.0327505 -0.1602692 0.3038032 -0.2305710 3.8275678 26 Y 4.2488129 0.0853698 -0.1183820 -0.0790183 4.0327505 -0.1602692 -0.3038032 -0.2305710 3.8275678 27 Y 4.2488129 0.0853698 0.1183820 -0.0790183 4.0327505 0.1602692 0.3038032 0.2305710 3.8275678 28 Y 4.2488129 -0.0853698 -0.1183820 0.0790183 4.0327505 0.1602692 -0.3038032 0.2305710 3.8275678 29 Y 3.6544970 0.0560852 0.0445666 -0.0352437 3.7538956 0.1206882 0.2350868 -0.0021319 3.8187583 30 Y 3.6544970 -0.0560852 -0.0445666 0.0352437 3.7538956 0.1206882 -0.2350868 -0.0021319 3.8187583 31 Y 3.6544970 -0.0560852 0.0445666 0.0352437 3.7538956 -0.1206882 0.2350868 0.0021319 3.8187583 32 Y 3.6544970 0.0560852 -0.0445666 -0.0352437 3.7538956 -0.1206882 -0.2350868 0.0021319 3.8187583 33 Te 5.1183025 0.1156362 -0.1592531 0.0653888 4.8580158 -0.0232629 -0.0330340 -0.2194811 4.9284134 34 Te 5.1183025 -0.1156362 0.1592531 -0.0653888 4.8580158 -0.0232629 0.0330340 -0.2194811 4.9284134 35 Te 5.1183025 -0.1156362 -0.1592531 -0.0653888 4.8580158 0.0232629 -0.0330340 0.2194811 4.9284134 36 Te 5.1183025 0.1156362 0.1592531 0.0653888 4.8580158 0.0232629 0.0330340 0.2194811 4.9284134 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.657 Solver_block: 200 / 1120 - Time: 2.156 Solver_block: 300 / 1120 - Time: 3.648 Solver_block: 400 / 1120 - Time: 2.270 Solver_block: 500 / 1120 - Time: 2.319 Solver_block: 600 / 1120 - Time: 2.245 Solver_block: 700 / 1120 - Time: 2.311 Solver_block: 800 / 1120 - Time: 2.343 Solver_block: 900 / 1120 - Time: 2.413 Solver_block: 1000 / 1120 - Time: 2.452 Solver_block: 1100 / 1120 - Time: 3.531 Solver_block: 1120 / 1120 - Time: 1.003 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 30.808 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:56:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:56:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.252913740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.037788709999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): 1 O 0.75506974347544 0.41287228849364 0.49458716655649 15.999 2 O 0.25506974347544 0.08712771150636 0.50541283344351 15.999 3 O 0.24493025652456 0.91287228849364 0.00541283344351 15.999 4 O 0.74493025652456 0.58712771150636 0.99458716655649 15.999 5 O 0.73410313338745 0.11379028087662 0.56861102752375 15.999 6 O 0.23410313338745 0.38620971912338 0.43138897247626 15.999 7 O 0.26589686661256 0.61379028087662 0.93138897247625 15.999 8 O 0.76589686661255 0.88620971912338 0.06861102752374 15.999 9 O 0.82121241195642 0.35868611612913 0.82131166131078 15.999 10 O 0.32121241195642 0.14131388387087 0.17868833868922 15.999 11 O 0.17878758804358 0.85868611612913 0.67868833868922 15.999 12 O 0.67878758804358 0.64131388387087 0.32131166131078 15.999 13 O 0.66910712427726 0.94816580919024 0.80039044620606 15.999 14 O 0.16910712427726 0.55183419080976 0.19960955379394 15.999 15 O 0.33089287572274 0.44816580919024 0.69960955379394 15.999 16 O 0.83089287572274 0.05183419080976 0.30039044620606 15.999 17 O 0.68766164500777 0.64181794950141 0.73680883706451 15.999 18 O 0.18766164500777 0.85818205049859 0.26319116293549 15.999 19 O 0.31233835499223 0.14181794950141 0.76319116293549 15.999 20 O 0.81233835499223 0.35818205049859 0.23680883706451 15.999 21 O 0.58492120414133 0.84414326254505 0.52750817452023 15.999 22 O 0.08492120414133 0.65585673745495 0.47249182547977 15.999 23 O 0.41507879585867 0.34414326254505 0.97249182547977 15.999 24 O 0.91507879585867 0.15585673745495 0.02750817452023 15.999 25 Y 0.96091824072261 0.78244875396397 0.86582696710153 88.906 26 Y 0.46091824072261 0.71755124603603 0.13417303289846 88.906 27 Y 0.03908175927739 0.28244875396397 0.63417303289847 88.906 28 Y 0.53908175927739 0.21755124603603 0.36582696710153 88.906 29 Y 0.52086121621313 0.10317468177350 0.96280892063922 88.906 30 Y 0.02086121621313 0.39682531822650 0.03719107936078 88.906 31 Y 0.47913878378687 0.60317468177350 0.53719107936078 88.906 32 Y 0.97913878378687 0.89682531822650 0.46280892063923 88.906 33 Te 0.46075521639328 0.99466954598522 0.64858128688451 127.600 34 Te 0.96075521639328 0.50533045401478 0.35141871311549 127.600 35 Te 0.53924478360672 0.49466954598522 0.85141871311549 127.600 36 Te 0.03924478360672 0.00533045401478 0.14858128688451 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.505827480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.075577419999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): 1 O 0.37753487173772 0.20643614424682 0.49458716655649 15.999 > 1 2 O 0.87753487173772 0.20643614424682 0.49458716655649 15.999 > 1 3 O 0.37753487173772 0.70643614424682 0.49458716655649 15.999 > 1 4 O 0.87753487173772 0.70643614424682 0.49458716655649 15.999 > 1 5 O 0.12753487173772 0.04356385575318 0.50541283344351 15.999 > 5 6 O 0.62753487173772 0.04356385575318 0.50541283344351 15.999 > 5 7 O 0.12753487173772 0.54356385575318 0.50541283344351 15.999 > 5 8 O 0.62753487173772 0.54356385575318 0.50541283344351 15.999 > 5 9 O 0.12246512826228 0.45643614424682 0.00541283344351 15.999 > 9 10 O 0.62246512826228 0.45643614424682 0.00541283344351 15.999 > 9 11 O 0.12246512826228 0.95643614424682 0.00541283344351 15.999 > 9 12 O 0.62246512826228 0.95643614424682 0.00541283344351 15.999 > 9 13 O 0.37246512826228 0.29356385575318 0.99458716655649 15.999 > 13 14 O 0.87246512826228 0.29356385575318 0.99458716655649 15.999 > 13 15 O 0.37246512826228 0.79356385575318 0.99458716655649 15.999 > 13 16 O 0.87246512826228 0.79356385575318 0.99458716655649 15.999 > 13 17 O 0.36705156669372 0.05689514043831 0.56861102752375 15.999 > 17 18 O 0.86705156669372 0.05689514043831 0.56861102752375 15.999 > 17 19 O 0.36705156669372 0.55689514043831 0.56861102752375 15.999 > 17 20 O 0.86705156669372 0.55689514043831 0.56861102752375 15.999 > 17 21 O 0.11705156669372 0.19310485956169 0.43138897247626 15.999 > 21 22 O 0.61705156669372 0.19310485956169 0.43138897247626 15.999 > 21 23 O 0.11705156669372 0.69310485956169 0.43138897247626 15.999 > 21 24 O 0.61705156669372 0.69310485956169 0.43138897247626 15.999 > 21 25 O 0.13294843330628 0.30689514043831 0.93138897247625 15.999 > 25 26 O 0.63294843330628 0.30689514043831 0.93138897247625 15.999 > 25 27 O 0.13294843330628 0.80689514043831 0.93138897247625 15.999 > 25 28 O 0.63294843330628 0.80689514043831 0.93138897247625 15.999 > 25 29 O 0.38294843330628 0.44310485956169 0.06861102752374 15.999 > 29 30 O 0.88294843330628 0.44310485956169 0.06861102752374 15.999 > 29 31 O 0.38294843330628 0.94310485956169 0.06861102752374 15.999 > 29 32 O 0.88294843330628 0.94310485956169 0.06861102752374 15.999 > 29 33 O 0.41060620597821 0.17934305806457 0.82131166131078 15.999 > 33 34 O 0.91060620597821 0.17934305806457 0.82131166131078 15.999 > 33 35 O 0.41060620597821 0.67934305806457 0.82131166131078 15.999 > 33 36 O 0.91060620597821 0.67934305806457 0.82131166131078 15.999 > 33 37 O 0.16060620597821 0.07065694193543 0.17868833868922 15.999 > 37 38 O 0.66060620597821 0.07065694193543 0.17868833868922 15.999 > 37 39 O 0.16060620597821 0.57065694193543 0.17868833868922 15.999 > 37 40 O 0.66060620597821 0.57065694193543 0.17868833868922 15.999 > 37 41 O 0.08939379402179 0.42934305806457 0.67868833868922 15.999 > 41 42 O 0.58939379402179 0.42934305806457 0.67868833868922 15.999 > 41 43 O 0.08939379402179 0.92934305806457 0.67868833868922 15.999 > 41 44 O 0.58939379402179 0.92934305806457 0.67868833868922 15.999 > 41 45 O 0.33939379402179 0.32065694193543 0.32131166131078 15.999 > 45 46 O 0.83939379402179 0.32065694193543 0.32131166131078 15.999 > 45 47 O 0.33939379402179 0.82065694193543 0.32131166131078 15.999 > 45 48 O 0.83939379402179 0.82065694193543 0.32131166131078 15.999 > 45 49 O 0.33455356213863 0.47408290459512 0.80039044620606 15.999 > 49 50 O 0.83455356213863 0.47408290459512 0.80039044620606 15.999 > 49 51 O 0.33455356213863 0.97408290459512 0.80039044620606 15.999 > 49 52 O 0.83455356213863 0.97408290459512 0.80039044620606 15.999 > 49 53 O 0.08455356213863 0.27591709540488 0.19960955379394 15.999 > 53 54 O 0.58455356213863 0.27591709540488 0.19960955379394 15.999 > 53 55 O 0.08455356213863 0.77591709540488 0.19960955379394 15.999 > 53 56 O 0.58455356213863 0.77591709540488 0.19960955379394 15.999 > 53 57 O 0.16544643786137 0.22408290459512 0.69960955379394 15.999 > 57 58 O 0.66544643786137 0.22408290459512 0.69960955379394 15.999 > 57 59 O 0.16544643786137 0.72408290459512 0.69960955379394 15.999 > 57 60 O 0.66544643786137 0.72408290459512 0.69960955379394 15.999 > 57 61 O 0.41544643786137 0.02591709540488 0.30039044620606 15.999 > 61 62 O 0.91544643786137 0.02591709540488 0.30039044620606 15.999 > 61 63 O 0.41544643786137 0.52591709540488 0.30039044620606 15.999 > 61 64 O 0.91544643786137 0.52591709540488 0.30039044620606 15.999 > 61 65 O 0.34383082250388 0.32090897475070 0.73680883706451 15.999 > 65 66 O 0.84383082250388 0.32090897475070 0.73680883706451 15.999 > 65 67 O 0.34383082250388 0.82090897475070 0.73680883706451 15.999 > 65 68 O 0.84383082250388 0.82090897475070 0.73680883706451 15.999 > 65 69 O 0.09383082250388 0.42909102524930 0.26319116293549 15.999 > 69 70 O 0.59383082250388 0.42909102524930 0.26319116293549 15.999 > 69 71 O 0.09383082250388 0.92909102524930 0.26319116293549 15.999 > 69 72 O 0.59383082250388 0.92909102524930 0.26319116293549 15.999 > 69 73 O 0.15616917749612 0.07090897475070 0.76319116293549 15.999 > 73 74 O 0.65616917749612 0.07090897475070 0.76319116293549 15.999 > 73 75 O 0.15616917749612 0.57090897475070 0.76319116293549 15.999 > 73 76 O 0.65616917749612 0.57090897475070 0.76319116293549 15.999 > 73 77 O 0.40616917749612 0.17909102524930 0.23680883706451 15.999 > 77 78 O 0.90616917749612 0.17909102524930 0.23680883706451 15.999 > 77 79 O 0.40616917749612 0.67909102524930 0.23680883706451 15.999 > 77 80 O 0.90616917749612 0.67909102524930 0.23680883706451 15.999 > 77 81 O 0.29246060207067 0.42207163127252 0.52750817452023 15.999 > 81 82 O 0.79246060207067 0.42207163127252 0.52750817452023 15.999 > 81 83 O 0.29246060207067 0.92207163127252 0.52750817452023 15.999 > 81 84 O 0.79246060207067 0.92207163127252 0.52750817452023 15.999 > 81 85 O 0.04246060207067 0.32792836872748 0.47249182547977 15.999 > 85 86 O 0.54246060207067 0.32792836872748 0.47249182547977 15.999 > 85 87 O 0.04246060207067 0.82792836872748 0.47249182547977 15.999 > 85 88 O 0.54246060207067 0.82792836872748 0.47249182547977 15.999 > 85 89 O 0.20753939792933 0.17207163127252 0.97249182547977 15.999 > 89 90 O 0.70753939792933 0.17207163127252 0.97249182547977 15.999 > 89 91 O 0.20753939792933 0.67207163127252 0.97249182547977 15.999 > 89 92 O 0.70753939792933 0.67207163127252 0.97249182547977 15.999 > 89 93 O 0.45753939792933 0.07792836872748 0.02750817452023 15.999 > 93 94 O 0.95753939792933 0.07792836872748 0.02750817452023 15.999 > 93 95 O 0.45753939792933 0.57792836872748 0.02750817452023 15.999 > 93 96 O 0.95753939792933 0.57792836872748 0.02750817452023 15.999 > 93 97 Y 0.48045912036131 0.39122437698199 0.86582696710153 88.906 > 97 98 Y 0.98045912036131 0.39122437698199 0.86582696710153 88.906 > 97 99 Y 0.48045912036131 0.89122437698199 0.86582696710153 88.906 > 97 100 Y 0.98045912036131 0.89122437698199 0.86582696710153 88.906 > 97 101 Y 0.23045912036131 0.35877562301801 0.13417303289846 88.906 > 101 102 Y 0.73045912036131 0.35877562301801 0.13417303289846 88.906 > 101 103 Y 0.23045912036131 0.85877562301801 0.13417303289846 88.906 > 101 104 Y 0.73045912036131 0.85877562301801 0.13417303289846 88.906 > 101 105 Y 0.01954087963870 0.14122437698199 0.63417303289847 88.906 > 105 106 Y 0.51954087963869 0.14122437698199 0.63417303289847 88.906 > 105 107 Y 0.01954087963870 0.64122437698199 0.63417303289847 88.906 > 105 108 Y 0.51954087963869 0.64122437698199 0.63417303289847 88.906 > 105 109 Y 0.26954087963869 0.10877562301801 0.36582696710153 88.906 > 109 110 Y 0.76954087963869 0.10877562301801 0.36582696710153 88.906 > 109 111 Y 0.26954087963869 0.60877562301801 0.36582696710153 88.906 > 109 112 Y 0.76954087963869 0.60877562301801 0.36582696710153 88.906 > 109 113 Y 0.26043060810656 0.05158734088675 0.96280892063922 88.906 > 113 114 Y 0.76043060810656 0.05158734088675 0.96280892063922 88.906 > 113 115 Y 0.26043060810656 0.55158734088675 0.96280892063922 88.906 > 113 116 Y 0.76043060810656 0.55158734088675 0.96280892063922 88.906 > 113 117 Y 0.01043060810656 0.19841265911325 0.03719107936078 88.906 > 117 118 Y 0.51043060810656 0.19841265911325 0.03719107936078 88.906 > 117 119 Y 0.01043060810656 0.69841265911325 0.03719107936078 88.906 > 117 120 Y 0.51043060810656 0.69841265911325 0.03719107936078 88.906 > 117 121 Y 0.23956939189344 0.30158734088675 0.53719107936078 88.906 > 121 122 Y 0.73956939189344 0.30158734088675 0.53719107936078 88.906 > 121 123 Y 0.23956939189344 0.80158734088675 0.53719107936078 88.906 > 121 124 Y 0.73956939189344 0.80158734088675 0.53719107936078 88.906 > 121 125 Y 0.48956939189344 0.44841265911325 0.46280892063923 88.906 > 125 126 Y 0.98956939189344 0.44841265911325 0.46280892063923 88.906 > 125 127 Y 0.48956939189344 0.94841265911325 0.46280892063923 88.906 > 125 128 Y 0.98956939189344 0.94841265911325 0.46280892063923 88.906 > 125 129 Te 0.23037760819664 0.49733477299261 0.64858128688451 127.600 > 129 130 Te 0.73037760819664 0.49733477299261 0.64858128688451 127.600 > 129 131 Te 0.23037760819664 0.99733477299261 0.64858128688451 127.600 > 129 132 Te 0.73037760819664 0.99733477299261 0.64858128688451 127.600 > 129 133 Te 0.48037760819664 0.25266522700739 0.35141871311549 127.600 > 133 134 Te 0.98037760819664 0.25266522700739 0.35141871311549 127.600 > 133 135 Te 0.48037760819664 0.75266522700739 0.35141871311549 127.600 > 133 136 Te 0.98037760819664 0.75266522700739 0.35141871311549 127.600 > 133 137 Te 0.26962239180336 0.24733477299261 0.85141871311549 127.600 > 137 138 Te 0.76962239180336 0.24733477299261 0.85141871311549 127.600 > 137 139 Te 0.26962239180336 0.74733477299261 0.85141871311549 127.600 > 137 140 Te 0.76962239180336 0.74733477299261 0.85141871311549 127.600 > 137 141 Te 0.01962239180336 0.00266522700739 0.14858128688451 127.600 > 141 142 Te 0.51962239180336 0.00266522700739 0.14858128688451 127.600 > 141 143 Te 0.01962239180336 0.50266522700739 0.14858128688451 127.600 > 141 144 Te 0.51962239180336 0.50266522700739 0.14858128688451 127.600 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0827053 0.0000000 0.0000000 0.0000000 4.0494634 0.0000000 0.0000000 0.0000000 4.1077300 -------------------------- Born effective charges -------------------------- 1 O -2.2556853 0.1181940 0.1213754 0.2123940 -2.1544554 0.2097642 0.0627932 0.1905885 -2.0416011 2 O -2.2556853 -0.1181940 -0.1213754 -0.2123940 -2.1544554 0.2097642 -0.0627932 0.1905885 -2.0416011 3 O -2.2556853 -0.1181940 0.1213754 -0.2123940 -2.1544554 -0.2097642 0.0627932 -0.1905885 -2.0416011 4 O -2.2556853 0.1181940 -0.1213754 0.2123940 -2.1544554 -0.2097642 -0.0627932 -0.1905885 -2.0416011 5 O -2.4110573 -0.5421228 0.1040739 -0.5453896 -2.2203209 0.0964227 0.1141832 0.2050188 -1.9284160 6 O -2.4110573 0.5421228 -0.1040739 0.5453896 -2.2203209 0.0964227 -0.1141832 0.2050188 -1.9284160 7 O -2.4110573 0.5421228 0.1040739 0.5453896 -2.2203209 -0.0964227 0.1141832 -0.2050188 -1.9284160 8 O -2.4110573 -0.5421228 -0.1040739 -0.5453896 -2.2203209 -0.0964227 -0.1141832 -0.2050188 -1.9284160 9 O -2.2859779 0.5562849 0.3841762 0.5407270 -1.8401631 -0.3791726 0.1989612 -0.3448156 -2.2941209 10 O -2.2859779 -0.5562849 -0.3841762 -0.5407270 -1.8401631 -0.3791726 -0.1989612 -0.3448156 -2.2941209 11 O -2.2859779 -0.5562849 0.3841762 -0.5407270 -1.8401631 0.3791726 0.1989612 0.3448156 -2.2941209 12 O -2.2859779 0.5562849 -0.3841762 0.5407270 -1.8401631 0.3791726 -0.1989612 0.3448156 -2.2941209 13 O -2.0487426 0.6710226 -0.3712881 0.7151807 -1.9239303 0.0287622 -0.5332444 0.0762277 -2.4537972 14 O -2.0487426 -0.6710226 0.3712881 -0.7151807 -1.9239303 0.0287622 0.5332444 0.0762277 -2.4537972 15 O -2.0487426 -0.6710226 -0.3712881 -0.7151807 -1.9239303 -0.0287622 -0.5332444 -0.0762277 -2.4537972 16 O -2.0487426 0.6710226 0.3712881 0.7151807 -1.9239303 -0.0287622 0.5332444 -0.0762277 -2.4537972 17 O -1.7647855 -0.5263311 -0.3587863 -0.6209818 -1.9122349 0.0470030 -0.3999946 0.0406362 -2.3040699 18 O -1.7647855 0.5263311 0.3587863 0.6209818 -1.9122349 0.0470030 0.3999946 0.0406362 -2.3040699 19 O -1.7647855 0.5263311 -0.3587863 0.6209818 -1.9122349 -0.0470030 -0.3999946 -0.0406362 -2.3040699 20 O -1.7647855 -0.5263311 0.3587863 -0.6209818 -1.9122349 -0.0470030 0.3999946 -0.0406362 -2.3040699 21 O -2.2553638 -0.0860305 0.4881749 -0.0597490 -2.5935574 -0.3049887 0.5362629 -0.2352087 -1.5527344 22 O -2.2553638 0.0860305 -0.4881749 0.0597490 -2.5935574 -0.3049887 -0.5362629 -0.2352087 -1.5527344 23 O -2.2553638 0.0860305 0.4881749 0.0597490 -2.5935574 0.3049887 0.5362629 0.2352087 -1.5527344 24 O -2.2553638 -0.0860305 -0.4881749 -0.0597490 -2.5935574 0.3049887 -0.5362629 0.2352087 -1.5527344 25 Y 4.2488129 -0.0853698 0.1183820 0.0790183 4.0327505 -0.1602692 0.3038032 -0.2305710 3.8275678 26 Y 4.2488129 0.0853698 -0.1183820 -0.0790183 4.0327505 -0.1602692 -0.3038032 -0.2305710 3.8275678 27 Y 4.2488129 0.0853698 0.1183820 -0.0790183 4.0327505 0.1602692 0.3038032 0.2305710 3.8275678 28 Y 4.2488129 -0.0853698 -0.1183820 0.0790183 4.0327505 0.1602692 -0.3038032 0.2305710 3.8275678 29 Y 3.6544970 0.0560852 0.0445666 -0.0352437 3.7538956 0.1206882 0.2350868 -0.0021319 3.8187583 30 Y 3.6544970 -0.0560852 -0.0445666 0.0352437 3.7538956 0.1206882 -0.2350868 -0.0021319 3.8187583 31 Y 3.6544970 -0.0560852 0.0445666 0.0352437 3.7538956 -0.1206882 0.2350868 0.0021319 3.8187583 32 Y 3.6544970 0.0560852 -0.0445666 -0.0352437 3.7538956 -0.1206882 -0.2350868 0.0021319 3.8187583 33 Te 5.1183025 0.1156362 -0.1592531 0.0653888 4.8580158 -0.0232629 -0.0330340 -0.2194811 4.9284134 34 Te 5.1183025 -0.1156362 0.1592531 -0.0653888 4.8580158 -0.0232629 0.0330340 -0.2194811 4.9284134 35 Te 5.1183025 -0.1156362 -0.1592531 -0.0653888 4.8580158 0.0232629 -0.0330340 0.2194811 4.9284134 36 Te 5.1183025 0.1156362 0.1592531 0.0653888 4.8580158 0.0232629 0.0330340 0.2194811 4.9284134 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 02:57:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:57:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.252913740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.037788709999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): 1 O 0.75506974347544 0.41287228849364 0.49458716655649 15.999 2 O 0.25506974347544 0.08712771150636 0.50541283344351 15.999 3 O 0.24493025652456 0.91287228849364 0.00541283344351 15.999 4 O 0.74493025652456 0.58712771150636 0.99458716655649 15.999 5 O 0.73410313338745 0.11379028087662 0.56861102752375 15.999 6 O 0.23410313338745 0.38620971912338 0.43138897247626 15.999 7 O 0.26589686661256 0.61379028087662 0.93138897247625 15.999 8 O 0.76589686661255 0.88620971912338 0.06861102752374 15.999 9 O 0.82121241195642 0.35868611612913 0.82131166131078 15.999 10 O 0.32121241195642 0.14131388387087 0.17868833868922 15.999 11 O 0.17878758804358 0.85868611612913 0.67868833868922 15.999 12 O 0.67878758804358 0.64131388387087 0.32131166131078 15.999 13 O 0.66910712427726 0.94816580919024 0.80039044620606 15.999 14 O 0.16910712427726 0.55183419080976 0.19960955379394 15.999 15 O 0.33089287572274 0.44816580919024 0.69960955379394 15.999 16 O 0.83089287572274 0.05183419080976 0.30039044620606 15.999 17 O 0.68766164500777 0.64181794950141 0.73680883706451 15.999 18 O 0.18766164500777 0.85818205049859 0.26319116293549 15.999 19 O 0.31233835499223 0.14181794950141 0.76319116293549 15.999 20 O 0.81233835499223 0.35818205049859 0.23680883706451 15.999 21 O 0.58492120414133 0.84414326254505 0.52750817452023 15.999 22 O 0.08492120414133 0.65585673745495 0.47249182547977 15.999 23 O 0.41507879585867 0.34414326254505 0.97249182547977 15.999 24 O 0.91507879585867 0.15585673745495 0.02750817452023 15.999 25 Y 0.96091824072261 0.78244875396397 0.86582696710153 88.906 26 Y 0.46091824072261 0.71755124603603 0.13417303289846 88.906 27 Y 0.03908175927739 0.28244875396397 0.63417303289847 88.906 28 Y 0.53908175927739 0.21755124603603 0.36582696710153 88.906 29 Y 0.52086121621313 0.10317468177350 0.96280892063922 88.906 30 Y 0.02086121621313 0.39682531822650 0.03719107936078 88.906 31 Y 0.47913878378687 0.60317468177350 0.53719107936078 88.906 32 Y 0.97913878378687 0.89682531822650 0.46280892063923 88.906 33 Te 0.46075521639328 0.99466954598522 0.64858128688451 127.600 34 Te 0.96075521639328 0.50533045401478 0.35141871311549 127.600 35 Te 0.53924478360672 0.49466954598522 0.85141871311549 127.600 36 Te 0.03924478360672 0.00533045401478 0.14858128688451 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.505827480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.075577419999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.911542960000000 Atomic positions (fractional): 1 O 0.37753487173772 0.20643614424682 0.49458716655649 15.999 > 1 2 O 0.87753487173772 0.20643614424682 0.49458716655649 15.999 > 1 3 O 0.37753487173772 0.70643614424682 0.49458716655649 15.999 > 1 4 O 0.87753487173772 0.70643614424682 0.49458716655649 15.999 > 1 5 O 0.12753487173772 0.04356385575318 0.50541283344351 15.999 > 5 6 O 0.62753487173772 0.04356385575318 0.50541283344351 15.999 > 5 7 O 0.12753487173772 0.54356385575318 0.50541283344351 15.999 > 5 8 O 0.62753487173772 0.54356385575318 0.50541283344351 15.999 > 5 9 O 0.12246512826228 0.45643614424682 0.00541283344351 15.999 > 9 10 O 0.62246512826228 0.45643614424682 0.00541283344351 15.999 > 9 11 O 0.12246512826228 0.95643614424682 0.00541283344351 15.999 > 9 12 O 0.62246512826228 0.95643614424682 0.00541283344351 15.999 > 9 13 O 0.37246512826228 0.29356385575318 0.99458716655649 15.999 > 13 14 O 0.87246512826228 0.29356385575318 0.99458716655649 15.999 > 13 15 O 0.37246512826228 0.79356385575318 0.99458716655649 15.999 > 13 16 O 0.87246512826228 0.79356385575318 0.99458716655649 15.999 > 13 17 O 0.36705156669372 0.05689514043831 0.56861102752375 15.999 > 17 18 O 0.86705156669372 0.05689514043831 0.56861102752375 15.999 > 17 19 O 0.36705156669372 0.55689514043831 0.56861102752375 15.999 > 17 20 O 0.86705156669372 0.55689514043831 0.56861102752375 15.999 > 17 21 O 0.11705156669372 0.19310485956169 0.43138897247626 15.999 > 21 22 O 0.61705156669372 0.19310485956169 0.43138897247626 15.999 > 21 23 O 0.11705156669372 0.69310485956169 0.43138897247626 15.999 > 21 24 O 0.61705156669372 0.69310485956169 0.43138897247626 15.999 > 21 25 O 0.13294843330628 0.30689514043831 0.93138897247625 15.999 > 25 26 O 0.63294843330628 0.30689514043831 0.93138897247625 15.999 > 25 27 O 0.13294843330628 0.80689514043831 0.93138897247625 15.999 > 25 28 O 0.63294843330628 0.80689514043831 0.93138897247625 15.999 > 25 29 O 0.38294843330628 0.44310485956169 0.06861102752374 15.999 > 29 30 O 0.88294843330628 0.44310485956169 0.06861102752374 15.999 > 29 31 O 0.38294843330628 0.94310485956169 0.06861102752374 15.999 > 29 32 O 0.88294843330628 0.94310485956169 0.06861102752374 15.999 > 29 33 O 0.41060620597821 0.17934305806457 0.82131166131078 15.999 > 33 34 O 0.91060620597821 0.17934305806457 0.82131166131078 15.999 > 33 35 O 0.41060620597821 0.67934305806457 0.82131166131078 15.999 > 33 36 O 0.91060620597821 0.67934305806457 0.82131166131078 15.999 > 33 37 O 0.16060620597821 0.07065694193543 0.17868833868922 15.999 > 37 38 O 0.66060620597821 0.07065694193543 0.17868833868922 15.999 > 37 39 O 0.16060620597821 0.57065694193543 0.17868833868922 15.999 > 37 40 O 0.66060620597821 0.57065694193543 0.17868833868922 15.999 > 37 41 O 0.08939379402179 0.42934305806457 0.67868833868922 15.999 > 41 42 O 0.58939379402179 0.42934305806457 0.67868833868922 15.999 > 41 43 O 0.08939379402179 0.92934305806457 0.67868833868922 15.999 > 41 44 O 0.58939379402179 0.92934305806457 0.67868833868922 15.999 > 41 45 O 0.33939379402179 0.32065694193543 0.32131166131078 15.999 > 45 46 O 0.83939379402179 0.32065694193543 0.32131166131078 15.999 > 45 47 O 0.33939379402179 0.82065694193543 0.32131166131078 15.999 > 45 48 O 0.83939379402179 0.82065694193543 0.32131166131078 15.999 > 45 49 O 0.33455356213863 0.47408290459512 0.80039044620606 15.999 > 49 50 O 0.83455356213863 0.47408290459512 0.80039044620606 15.999 > 49 51 O 0.33455356213863 0.97408290459512 0.80039044620606 15.999 > 49 52 O 0.83455356213863 0.97408290459512 0.80039044620606 15.999 > 49 53 O 0.08455356213863 0.27591709540488 0.19960955379394 15.999 > 53 54 O 0.58455356213863 0.27591709540488 0.19960955379394 15.999 > 53 55 O 0.08455356213863 0.77591709540488 0.19960955379394 15.999 > 53 56 O 0.58455356213863 0.77591709540488 0.19960955379394 15.999 > 53 57 O 0.16544643786137 0.22408290459512 0.69960955379394 15.999 > 57 58 O 0.66544643786137 0.22408290459512 0.69960955379394 15.999 > 57 59 O 0.16544643786137 0.72408290459512 0.69960955379394 15.999 > 57 60 O 0.66544643786137 0.72408290459512 0.69960955379394 15.999 > 57 61 O 0.41544643786137 0.02591709540488 0.30039044620606 15.999 > 61 62 O 0.91544643786137 0.02591709540488 0.30039044620606 15.999 > 61 63 O 0.41544643786137 0.52591709540488 0.30039044620606 15.999 > 61 64 O 0.91544643786137 0.52591709540488 0.30039044620606 15.999 > 61 65 O 0.34383082250388 0.32090897475070 0.73680883706451 15.999 > 65 66 O 0.84383082250388 0.32090897475070 0.73680883706451 15.999 > 65 67 O 0.34383082250388 0.82090897475070 0.73680883706451 15.999 > 65 68 O 0.84383082250388 0.82090897475070 0.73680883706451 15.999 > 65 69 O 0.09383082250388 0.42909102524930 0.26319116293549 15.999 > 69 70 O 0.59383082250388 0.42909102524930 0.26319116293549 15.999 > 69 71 O 0.09383082250388 0.92909102524930 0.26319116293549 15.999 > 69 72 O 0.59383082250388 0.92909102524930 0.26319116293549 15.999 > 69 73 O 0.15616917749612 0.07090897475070 0.76319116293549 15.999 > 73 74 O 0.65616917749612 0.07090897475070 0.76319116293549 15.999 > 73 75 O 0.15616917749612 0.57090897475070 0.76319116293549 15.999 > 73 76 O 0.65616917749612 0.57090897475070 0.76319116293549 15.999 > 73 77 O 0.40616917749612 0.17909102524930 0.23680883706451 15.999 > 77 78 O 0.90616917749612 0.17909102524930 0.23680883706451 15.999 > 77 79 O 0.40616917749612 0.67909102524930 0.23680883706451 15.999 > 77 80 O 0.90616917749612 0.67909102524930 0.23680883706451 15.999 > 77 81 O 0.29246060207067 0.42207163127252 0.52750817452023 15.999 > 81 82 O 0.79246060207067 0.42207163127252 0.52750817452023 15.999 > 81 83 O 0.29246060207067 0.92207163127252 0.52750817452023 15.999 > 81 84 O 0.79246060207067 0.92207163127252 0.52750817452023 15.999 > 81 85 O 0.04246060207067 0.32792836872748 0.47249182547977 15.999 > 85 86 O 0.54246060207067 0.32792836872748 0.47249182547977 15.999 > 85 87 O 0.04246060207067 0.82792836872748 0.47249182547977 15.999 > 85 88 O 0.54246060207067 0.82792836872748 0.47249182547977 15.999 > 85 89 O 0.20753939792933 0.17207163127252 0.97249182547977 15.999 > 89 90 O 0.70753939792933 0.17207163127252 0.97249182547977 15.999 > 89 91 O 0.20753939792933 0.67207163127252 0.97249182547977 15.999 > 89 92 O 0.70753939792933 0.67207163127252 0.97249182547977 15.999 > 89 93 O 0.45753939792933 0.07792836872748 0.02750817452023 15.999 > 93 94 O 0.95753939792933 0.07792836872748 0.02750817452023 15.999 > 93 95 O 0.45753939792933 0.57792836872748 0.02750817452023 15.999 > 93 96 O 0.95753939792933 0.57792836872748 0.02750817452023 15.999 > 93 97 Y 0.48045912036131 0.39122437698199 0.86582696710153 88.906 > 97 98 Y 0.98045912036131 0.39122437698199 0.86582696710153 88.906 > 97 99 Y 0.48045912036131 0.89122437698199 0.86582696710153 88.906 > 97 100 Y 0.98045912036131 0.89122437698199 0.86582696710153 88.906 > 97 101 Y 0.23045912036131 0.35877562301801 0.13417303289846 88.906 > 101 102 Y 0.73045912036131 0.35877562301801 0.13417303289846 88.906 > 101 103 Y 0.23045912036131 0.85877562301801 0.13417303289846 88.906 > 101 104 Y 0.73045912036131 0.85877562301801 0.13417303289846 88.906 > 101 105 Y 0.01954087963870 0.14122437698199 0.63417303289847 88.906 > 105 106 Y 0.51954087963869 0.14122437698199 0.63417303289847 88.906 > 105 107 Y 0.01954087963870 0.64122437698199 0.63417303289847 88.906 > 105 108 Y 0.51954087963869 0.64122437698199 0.63417303289847 88.906 > 105 109 Y 0.26954087963869 0.10877562301801 0.36582696710153 88.906 > 109 110 Y 0.76954087963869 0.10877562301801 0.36582696710153 88.906 > 109 111 Y 0.26954087963869 0.60877562301801 0.36582696710153 88.906 > 109 112 Y 0.76954087963869 0.60877562301801 0.36582696710153 88.906 > 109 113 Y 0.26043060810656 0.05158734088675 0.96280892063922 88.906 > 113 114 Y 0.76043060810656 0.05158734088675 0.96280892063922 88.906 > 113 115 Y 0.26043060810656 0.55158734088675 0.96280892063922 88.906 > 113 116 Y 0.76043060810656 0.55158734088675 0.96280892063922 88.906 > 113 117 Y 0.01043060810656 0.19841265911325 0.03719107936078 88.906 > 117 118 Y 0.51043060810656 0.19841265911325 0.03719107936078 88.906 > 117 119 Y 0.01043060810656 0.69841265911325 0.03719107936078 88.906 > 117 120 Y 0.51043060810656 0.69841265911325 0.03719107936078 88.906 > 117 121 Y 0.23956939189344 0.30158734088675 0.53719107936078 88.906 > 121 122 Y 0.73956939189344 0.30158734088675 0.53719107936078 88.906 > 121 123 Y 0.23956939189344 0.80158734088675 0.53719107936078 88.906 > 121 124 Y 0.73956939189344 0.80158734088675 0.53719107936078 88.906 > 121 125 Y 0.48956939189344 0.44841265911325 0.46280892063923 88.906 > 125 126 Y 0.98956939189344 0.44841265911325 0.46280892063923 88.906 > 125 127 Y 0.48956939189344 0.94841265911325 0.46280892063923 88.906 > 125 128 Y 0.98956939189344 0.94841265911325 0.46280892063923 88.906 > 125 129 Te 0.23037760819664 0.49733477299261 0.64858128688451 127.600 > 129 130 Te 0.73037760819664 0.49733477299261 0.64858128688451 127.600 > 129 131 Te 0.23037760819664 0.99733477299261 0.64858128688451 127.600 > 129 132 Te 0.73037760819664 0.99733477299261 0.64858128688451 127.600 > 129 133 Te 0.48037760819664 0.25266522700739 0.35141871311549 127.600 > 133 134 Te 0.98037760819664 0.25266522700739 0.35141871311549 127.600 > 133 135 Te 0.48037760819664 0.75266522700739 0.35141871311549 127.600 > 133 136 Te 0.98037760819664 0.75266522700739 0.35141871311549 127.600 > 133 137 Te 0.26962239180336 0.24733477299261 0.85141871311549 127.600 > 137 138 Te 0.76962239180336 0.24733477299261 0.85141871311549 127.600 > 137 139 Te 0.26962239180336 0.74733477299261 0.85141871311549 127.600 > 137 140 Te 0.76962239180336 0.74733477299261 0.85141871311549 127.600 > 137 141 Te 0.01962239180336 0.00266522700739 0.14858128688451 127.600 > 141 142 Te 0.51962239180336 0.00266522700739 0.14858128688451 127.600 > 141 143 Te 0.01962239180336 0.50266522700739 0.14858128688451 127.600 > 141 144 Te 0.51962239180336 0.50266522700739 0.14858128688451 127.600 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0827053 0.0000000 0.0000000 0.0000000 4.0494634 0.0000000 0.0000000 0.0000000 4.1077300 -------------------------- Born effective charges -------------------------- 1 O -2.2556853 0.1181940 0.1213754 0.2123940 -2.1544554 0.2097642 0.0627932 0.1905885 -2.0416011 2 O -2.2556853 -0.1181940 -0.1213754 -0.2123940 -2.1544554 0.2097642 -0.0627932 0.1905885 -2.0416011 3 O -2.2556853 -0.1181940 0.1213754 -0.2123940 -2.1544554 -0.2097642 0.0627932 -0.1905885 -2.0416011 4 O -2.2556853 0.1181940 -0.1213754 0.2123940 -2.1544554 -0.2097642 -0.0627932 -0.1905885 -2.0416011 5 O -2.4110573 -0.5421228 0.1040739 -0.5453896 -2.2203209 0.0964227 0.1141832 0.2050188 -1.9284160 6 O -2.4110573 0.5421228 -0.1040739 0.5453896 -2.2203209 0.0964227 -0.1141832 0.2050188 -1.9284160 7 O -2.4110573 0.5421228 0.1040739 0.5453896 -2.2203209 -0.0964227 0.1141832 -0.2050188 -1.9284160 8 O -2.4110573 -0.5421228 -0.1040739 -0.5453896 -2.2203209 -0.0964227 -0.1141832 -0.2050188 -1.9284160 9 O -2.2859779 0.5562849 0.3841762 0.5407270 -1.8401631 -0.3791726 0.1989612 -0.3448156 -2.2941209 10 O -2.2859779 -0.5562849 -0.3841762 -0.5407270 -1.8401631 -0.3791726 -0.1989612 -0.3448156 -2.2941209 11 O -2.2859779 -0.5562849 0.3841762 -0.5407270 -1.8401631 0.3791726 0.1989612 0.3448156 -2.2941209 12 O -2.2859779 0.5562849 -0.3841762 0.5407270 -1.8401631 0.3791726 -0.1989612 0.3448156 -2.2941209 13 O -2.0487426 0.6710226 -0.3712881 0.7151807 -1.9239303 0.0287622 -0.5332444 0.0762277 -2.4537972 14 O -2.0487426 -0.6710226 0.3712881 -0.7151807 -1.9239303 0.0287622 0.5332444 0.0762277 -2.4537972 15 O -2.0487426 -0.6710226 -0.3712881 -0.7151807 -1.9239303 -0.0287622 -0.5332444 -0.0762277 -2.4537972 16 O -2.0487426 0.6710226 0.3712881 0.7151807 -1.9239303 -0.0287622 0.5332444 -0.0762277 -2.4537972 17 O -1.7647855 -0.5263311 -0.3587863 -0.6209818 -1.9122349 0.0470030 -0.3999946 0.0406362 -2.3040699 18 O -1.7647855 0.5263311 0.3587863 0.6209818 -1.9122349 0.0470030 0.3999946 0.0406362 -2.3040699 19 O -1.7647855 0.5263311 -0.3587863 0.6209818 -1.9122349 -0.0470030 -0.3999946 -0.0406362 -2.3040699 20 O -1.7647855 -0.5263311 0.3587863 -0.6209818 -1.9122349 -0.0470030 0.3999946 -0.0406362 -2.3040699 21 O -2.2553638 -0.0860305 0.4881749 -0.0597490 -2.5935574 -0.3049887 0.5362629 -0.2352087 -1.5527344 22 O -2.2553638 0.0860305 -0.4881749 0.0597490 -2.5935574 -0.3049887 -0.5362629 -0.2352087 -1.5527344 23 O -2.2553638 0.0860305 0.4881749 0.0597490 -2.5935574 0.3049887 0.5362629 0.2352087 -1.5527344 24 O -2.2553638 -0.0860305 -0.4881749 -0.0597490 -2.5935574 0.3049887 -0.5362629 0.2352087 -1.5527344 25 Y 4.2488129 -0.0853698 0.1183820 0.0790183 4.0327505 -0.1602692 0.3038032 -0.2305710 3.8275678 26 Y 4.2488129 0.0853698 -0.1183820 -0.0790183 4.0327505 -0.1602692 -0.3038032 -0.2305710 3.8275678 27 Y 4.2488129 0.0853698 0.1183820 -0.0790183 4.0327505 0.1602692 0.3038032 0.2305710 3.8275678 28 Y 4.2488129 -0.0853698 -0.1183820 0.0790183 4.0327505 0.1602692 -0.3038032 0.2305710 3.8275678 29 Y 3.6544970 0.0560852 0.0445666 -0.0352437 3.7538956 0.1206882 0.2350868 -0.0021319 3.8187583 30 Y 3.6544970 -0.0560852 -0.0445666 0.0352437 3.7538956 0.1206882 -0.2350868 -0.0021319 3.8187583 31 Y 3.6544970 -0.0560852 0.0445666 0.0352437 3.7538956 -0.1206882 0.2350868 0.0021319 3.8187583 32 Y 3.6544970 0.0560852 -0.0445666 -0.0352437 3.7538956 -0.1206882 -0.2350868 0.0021319 3.8187583 33 Te 5.1183025 0.1156362 -0.1592531 0.0653888 4.8580158 -0.0232629 -0.0330340 -0.2194811 4.9284134 34 Te 5.1183025 -0.1156362 0.1592531 -0.0653888 4.8580158 -0.0232629 0.0330340 -0.2194811 4.9284134 35 Te 5.1183025 -0.1156362 -0.1592531 -0.0653888 4.8580158 0.0232629 -0.0330340 0.2194811 4.9284134 36 Te 5.1183025 0.1156362 0.1592531 0.0653888 4.8580158 0.0232629 0.0330340 0.2194811 4.9284134 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 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 2.543 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 11.099 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.431 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.565 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 16.802 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 17.416 ( 0.000 0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.715 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.297 ( 0.000 0.000 0.000) 0.000 18.329 ( 0.000 0.000 0.000) 0.000 18.752 ( 0.000 0.000 0.000) 0.000 18.938 ( 0.000 0.000 0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.008 ( 0.000 0.000 0.000) 0.000 19.330 ( 0.000 0.000 0.000) 0.000 19.388 ( 0.000 0.000 0.000) 0.000 19.866 ( 0.000 0.000 0.000) 0.000 20.234 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 0.000) 0.000 20.445 ( 0.000 0.000 0.000) 0.000 20.852 ( 0.000 0.000 0.000) 0.000 21.148 ( 0.000 0.000 0.000) 0.000 21.404 ( 0.000 0.000 0.000) 0.000 21.562 ( 0.000 0.000 0.000) 0.000 21.721 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 33.219 0.000 0.000) 33.219 0.676 ( 35.213 0.000 0.000) 35.213 1.242 ( 63.840 0.000 0.000) 63.840 2.563 ( 1.981 0.000 0.000) 1.981 2.714 ( 10.155 0.000 0.000) 10.155 2.913 ( 0.371 0.000 0.000) 0.371 2.973 ( 9.513 0.000 0.000) 9.513 3.040 ( 6.068 0.000 0.000) 6.068 3.434 ( 3.623 0.000 0.000) 3.623 3.645 ( -7.135 0.000 0.000) 7.135 3.704 ( -2.178 0.000 0.000) 2.178 3.871 ( 2.637 0.000 0.000) 2.637 3.930 ( 2.663 0.000 0.000) 2.663 4.232 ( -7.274 0.000 0.000) 7.274 4.291 ( 1.270 0.000 0.000) 1.270 4.343 ( -4.363 0.000 0.000) 4.363 4.413 ( 0.251 0.000 0.000) 0.251 4.669 ( -3.571 0.000 0.000) 3.571 4.696 ( -10.207 0.000 0.000) 10.207 4.822 ( -2.813 0.000 0.000) 2.813 4.916 ( -3.568 0.000 0.000) 3.568 5.027 ( 2.670 0.000 0.000) 2.670 5.069 ( 2.657 0.000 0.000) 2.657 5.230 ( -8.356 0.000 0.000) 8.356 5.303 ( 2.057 0.000 0.000) 2.057 5.586 ( -0.977 0.000 0.000) 0.977 5.607 ( -0.317 0.000 0.000) 0.317 5.748 ( -8.890 0.000 0.000) 8.890 5.758 ( 3.470 0.000 0.000) 3.470 6.138 ( 8.172 0.000 0.000) 8.172 6.230 ( -10.986 0.000 0.000) 10.986 6.316 ( -1.252 0.000 0.000) 1.252 6.396 ( -5.323 0.000 0.000) 5.323 6.434 ( 0.754 0.000 0.000) 0.754 6.523 ( -4.699 0.000 0.000) 4.699 6.560 ( 2.943 0.000 0.000) 2.943 6.854 ( -0.680 0.000 0.000) 0.680 6.882 ( 1.592 0.000 0.000) 1.592 7.109 ( 4.134 0.000 0.000) 4.134 7.365 ( 3.655 0.000 0.000) 3.655 7.678 ( -5.617 0.000 0.000) 5.617 7.762 ( -1.726 0.000 0.000) 1.726 7.787 ( -3.951 0.000 0.000) 3.951 7.935 ( -5.961 0.000 0.000) 5.961 8.097 ( -0.672 0.000 0.000) 0.672 8.098 ( 1.586 0.000 0.000) 1.586 8.260 ( 4.559 0.000 0.000) 4.559 8.662 ( 7.172 0.000 0.000) 7.172 8.744 ( -5.814 0.000 0.000) 5.814 8.809 ( -7.736 0.000 0.000) 7.736 9.106 ( 1.530 0.000 0.000) 1.530 9.185 ( 1.072 0.000 0.000) 1.072 9.495 ( 3.836 0.000 0.000) 3.836 9.586 ( -4.868 0.000 0.000) 4.868 9.686 ( 0.415 0.000 0.000) 0.415 9.742 ( -6.444 0.000 0.000) 6.444 9.944 ( 0.501 0.000 0.000) 0.501 9.956 ( 5.000 0.000 0.000) 5.000 10.147 ( 6.349 0.000 0.000) 6.349 10.297 ( 2.491 0.000 0.000) 2.491 10.602 ( 12.754 0.000 0.000) 12.754 10.660 ( 6.281 0.000 0.000) 6.281 11.335 ( 3.914 0.000 0.000) 3.914 11.616 ( 2.027 0.000 0.000) 2.027 11.963 ( 1.923 0.000 0.000) 1.923 12.271 ( 1.310 0.000 0.000) 1.310 12.434 ( 0.589 0.000 0.000) 0.589 12.564 ( 4.636 0.000 0.000) 4.636 12.671 ( -1.528 0.000 0.000) 1.528 13.436 ( -5.065 0.000 0.000) 5.065 13.579 ( -2.077 0.000 0.000) 2.077 13.939 ( 4.173 0.000 0.000) 4.173 14.018 ( -1.845 0.000 0.000) 1.845 14.251 ( 0.680 0.000 0.000) 0.680 14.395 ( -1.260 0.000 0.000) 1.260 14.738 ( -2.855 0.000 0.000) 2.855 15.046 ( -6.953 0.000 0.000) 6.953 15.108 ( -0.031 0.000 0.000) 0.031 15.403 ( -10.886 0.000 0.000) 10.886 15.850 ( 10.242 0.000 0.000) 10.242 16.186 ( 0.431 0.000 0.000) 0.431 16.346 ( -8.744 0.000 0.000) 8.744 16.489 ( -4.260 0.000 0.000) 4.260 16.794 ( 11.594 0.000 0.000) 11.594 16.950 ( 1.742 0.000 0.000) 1.742 17.398 ( 1.703 0.000 0.000) 1.703 17.402 ( -0.852 0.000 0.000) 0.852 17.682 ( -2.605 0.000 0.000) 2.605 17.713 ( -3.866 0.000 0.000) 3.866 18.237 ( 3.220 0.000 0.000) 3.220 18.370 ( 3.936 0.000 0.000) 3.936 18.387 ( 8.011 0.000 0.000) 8.011 18.751 ( -0.215 0.000 0.000) 0.215 18.945 ( -1.215 0.000 0.000) 1.215 19.025 ( 0.496 0.000 0.000) 0.496 19.328 ( -0.401 0.000 0.000) 0.401 19.377 ( -1.042 0.000 0.000) 1.042 19.866 ( 1.827 0.000 0.000) 1.827 20.165 ( -7.202 0.000 0.000) 7.202 20.275 ( 2.149 0.000 0.000) 2.149 20.498 ( 4.800 0.000 0.000) 4.800 20.656 ( -0.549 0.000 0.000) 0.549 20.987 ( -4.728 0.000 0.000) 4.728 21.388 ( -1.434 0.000 0.000) 1.434 21.518 ( -3.857 0.000 0.000) 3.857 21.608 ( 1.728 0.000 0.000) 1.728 21.736 ( 1.393 0.000 0.000) 1.393 22.484 ( -4.715 0.000 0.000) 4.715 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 30.669 0.000 0.000) 30.669 1.333 ( 33.592 0.000 0.000) 33.592 2.393 ( 54.498 0.000 0.000) 54.498 2.615 ( 4.433 0.000 0.000) 4.433 2.891 ( -3.538 0.000 0.000) 3.538 2.924 ( 10.117 0.000 0.000) 10.117 3.170 ( 9.558 0.000 0.000) 9.558 3.231 ( 13.841 0.000 0.000) 13.841 3.407 ( -7.892 0.000 0.000) 7.892 3.583 ( 2.098 0.000 0.000) 2.098 3.655 ( -2.992 0.000 0.000) 2.992 3.909 ( 1.283 0.000 0.000) 1.283 3.972 ( 0.953 0.000 0.000) 0.953 4.071 ( -9.368 0.000 0.000) 9.368 4.214 ( -8.089 0.000 0.000) 8.089 4.331 ( 2.762 0.000 0.000) 2.762 4.366 ( -20.359 0.000 0.000) 20.359 4.433 ( 1.630 0.000 0.000) 1.630 4.622 ( -2.037 0.000 0.000) 2.037 4.788 ( -6.691 0.000 0.000) 6.691 4.837 ( 0.082 0.000 0.000) 0.082 5.023 ( -8.008 0.000 0.000) 8.008 5.095 ( 3.479 0.000 0.000) 3.479 5.145 ( 2.307 0.000 0.000) 2.307 5.358 ( 2.678 0.000 0.000) 2.678 5.542 ( -3.690 0.000 0.000) 3.690 5.592 ( -0.626 0.000 0.000) 0.626 5.607 ( -5.605 0.000 0.000) 5.605 5.811 ( 0.538 0.000 0.000) 0.538 5.979 ( -12.310 0.000 0.000) 12.310 6.223 ( -1.388 0.000 0.000) 1.388 6.323 ( 0.050 0.000 0.000) 0.050 6.327 ( 0.897 0.000 0.000) 0.897 6.394 ( -6.103 0.000 0.000) 6.103 6.455 ( 1.252 0.000 0.000) 1.252 6.612 ( -0.601 0.000 0.000) 0.601 6.855 ( 2.069 0.000 0.000) 2.069 6.920 ( 2.300 0.000 0.000) 2.300 7.165 ( 1.314 0.000 0.000) 1.314 7.372 ( -5.393 0.000 0.000) 5.393 7.622 ( 3.486 0.000 0.000) 3.486 7.739 ( -1.400 0.000 0.000) 1.400 7.744 ( -1.375 0.000 0.000) 1.375 7.846 ( -1.624 0.000 0.000) 1.624 8.080 ( -3.227 0.000 0.000) 3.227 8.107 ( 1.526 0.000 0.000) 1.526 8.309 ( 0.137 0.000 0.000) 0.137 8.649 ( -3.413 0.000 0.000) 3.413 8.657 ( -7.816 0.000 0.000) 7.816 8.776 ( 2.783 0.000 0.000) 2.783 9.119 ( -0.103 0.000 0.000) 0.103 9.153 ( -4.419 0.000 0.000) 4.419 9.502 ( -3.017 0.000 0.000) 3.017 9.537 ( 0.333 0.000 0.000) 0.333 9.657 ( -2.107 0.000 0.000) 2.107 9.670 ( -1.908 0.000 0.000) 1.908 9.989 ( 4.912 0.000 0.000) 4.912 10.071 ( 6.284 0.000 0.000) 6.284 10.304 ( 8.687 0.000 0.000) 8.687 10.363 ( 4.213 0.000 0.000) 4.213 10.798 ( 7.527 0.000 0.000) 7.527 10.852 ( 12.039 0.000 0.000) 12.039 11.430 ( 5.540 0.000 0.000) 5.540 11.664 ( 2.632 0.000 0.000) 2.632 12.024 ( 4.480 0.000 0.000) 4.480 12.310 ( 2.824 0.000 0.000) 2.824 12.474 ( 4.177 0.000 0.000) 4.177 12.605 ( -2.616 0.000 0.000) 2.616 12.707 ( 7.240 0.000 0.000) 7.240 13.285 ( -10.061 0.000 0.000) 10.061 13.567 ( 1.070 0.000 0.000) 1.070 13.973 ( -2.704 0.000 0.000) 2.704 14.038 ( 5.692 0.000 0.000) 5.692 14.246 ( -1.769 0.000 0.000) 1.769 14.357 ( -2.785 0.000 0.000) 2.785 14.666 ( -4.373 0.000 0.000) 4.373 14.894 ( -7.597 0.000 0.000) 7.597 15.110 ( 0.376 0.000 0.000) 0.376 15.209 ( -9.674 0.000 0.000) 9.674 15.969 ( -3.292 0.000 0.000) 3.292 16.100 ( -2.075 0.000 0.000) 2.075 16.334 ( 5.507 0.000 0.000) 5.507 16.389 ( -5.519 0.000 0.000) 5.519 16.997 ( 2.443 0.000 0.000) 2.443 17.034 ( 13.527 0.000 0.000) 13.527 17.392 ( -0.491 0.000 0.000) 0.491 17.439 ( 2.487 0.000 0.000) 2.487 17.658 ( -1.258 0.000 0.000) 1.258 17.659 ( 1.230 0.000 0.000) 1.230 18.283 ( 0.914 0.000 0.000) 0.914 18.460 ( 5.174 0.000 0.000) 5.174 18.546 ( 7.528 0.000 0.000) 7.528 18.737 ( -1.426 0.000 0.000) 1.426 18.910 ( -2.276 0.000 0.000) 2.276 18.980 ( -5.046 0.000 0.000) 5.046 19.324 ( 0.610 0.000 0.000) 0.610 19.357 ( -0.882 0.000 0.000) 0.882 19.967 ( -13.288 0.000 0.000) 13.288 19.978 ( 9.167 0.000 0.000) 9.167 20.335 ( 4.318 0.000 0.000) 4.318 20.598 ( 5.237 0.000 0.000) 5.237 20.640 ( -1.116 0.000 0.000) 1.116 20.887 ( -5.285 0.000 0.000) 5.285 21.363 ( -0.822 0.000 0.000) 0.822 21.415 ( -6.941 0.000 0.000) 6.941 21.627 ( -0.050 0.000 0.000) 0.050 21.765 ( 1.567 0.000 0.000) 1.567 22.364 ( -7.489 0.000 0.000) 7.489 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 25.004 0.000 0.000) 25.004 1.944 ( 30.301 0.000 0.000) 30.301 2.585 ( -7.870 0.000 0.000) 7.870 2.814 ( 1.393 0.000 0.000) 1.393 3.070 ( 4.799 0.000 0.000) 4.799 3.246 ( -2.896 0.000 0.000) 2.896 3.312 ( 5.500 0.000 0.000) 5.500 3.322 ( 24.989 0.000 0.000) 24.989 3.476 ( 4.178 0.000 0.000) 4.178 3.585 ( -0.862 0.000 0.000) 0.862 3.636 ( 6.735 0.000 0.000) 6.735 3.877 ( -9.518 0.000 0.000) 9.518 3.915 ( -6.760 0.000 0.000) 6.760 3.930 ( 0.371 0.000 0.000) 0.371 4.059 ( -6.860 0.000 0.000) 6.860 4.080 ( -5.438 0.000 0.000) 5.438 4.367 ( -0.458 0.000 0.000) 0.458 4.470 ( 2.703 0.000 0.000) 2.703 4.553 ( -5.182 0.000 0.000) 5.182 4.757 ( -4.328 0.000 0.000) 4.328 4.764 ( 4.111 0.000 0.000) 4.111 4.959 ( -0.896 0.000 0.000) 0.896 5.154 ( 2.955 0.000 0.000) 2.955 5.210 ( 4.022 0.000 0.000) 4.022 5.368 ( -1.237 0.000 0.000) 1.237 5.469 ( -3.483 0.000 0.000) 3.483 5.549 ( -0.176 0.000 0.000) 0.176 5.605 ( 1.966 0.000 0.000) 1.966 5.742 ( -5.742 0.000 0.000) 5.742 5.804 ( -7.096 0.000 0.000) 7.096 6.160 ( -3.273 0.000 0.000) 3.273 6.307 ( -1.979 0.000 0.000) 1.979 6.340 ( 0.481 0.000 0.000) 0.481 6.378 ( 2.482 0.000 0.000) 2.482 6.465 ( -0.615 0.000 0.000) 0.615 6.509 ( -9.080 0.000 0.000) 9.080 6.931 ( 4.557 0.000 0.000) 4.557 6.965 ( 2.079 0.000 0.000) 2.079 7.163 ( -1.011 0.000 0.000) 1.011 7.236 ( -6.643 0.000 0.000) 6.643 7.702 ( -0.429 0.000 0.000) 0.429 7.710 ( -1.837 0.000 0.000) 1.837 7.769 ( 8.237 0.000 0.000) 8.237 7.879 ( 2.988 0.000 0.000) 2.988 8.012 ( -2.161 0.000 0.000) 2.161 8.142 ( 1.524 0.000 0.000) 1.524 8.270 ( -3.375 0.000 0.000) 3.375 8.515 ( -6.908 0.000 0.000) 6.908 8.578 ( -4.532 0.000 0.000) 4.532 8.764 ( -4.082 0.000 0.000) 4.082 9.055 ( -4.532 0.000 0.000) 4.532 9.103 ( -1.493 0.000 0.000) 1.493 9.490 ( 1.575 0.000 0.000) 1.575 9.511 ( -2.276 0.000 0.000) 2.276 9.623 ( -2.830 0.000 0.000) 2.830 9.660 ( 1.495 0.000 0.000) 1.495 10.103 ( 6.122 0.000 0.000) 6.122 10.173 ( 4.232 0.000 0.000) 4.232 10.447 ( 4.343 0.000 0.000) 4.343 10.448 ( 6.027 0.000 0.000) 6.027 10.929 ( 6.048 0.000 0.000) 6.048 11.026 ( 6.010 0.000 0.000) 6.010 11.531 ( 4.867 0.000 0.000) 4.867 11.702 ( 1.111 0.000 0.000) 1.111 12.127 ( 6.020 0.000 0.000) 6.020 12.380 ( 4.317 0.000 0.000) 4.317 12.542 ( -3.160 0.000 0.000) 3.160 12.604 ( 9.251 0.000 0.000) 9.251 12.855 ( 7.274 0.000 0.000) 7.274 13.082 ( -10.754 0.000 0.000) 10.754 13.621 ( 4.564 0.000 0.000) 4.564 13.922 ( -2.466 0.000 0.000) 2.466 14.138 ( 4.240 0.000 0.000) 4.240 14.179 ( -4.514 0.000 0.000) 4.514 14.289 ( -4.316 0.000 0.000) 4.316 14.575 ( -5.283 0.000 0.000) 5.283 14.801 ( -1.870 0.000 0.000) 1.870 15.033 ( -8.564 0.000 0.000) 8.564 15.128 ( 1.723 0.000 0.000) 1.723 15.757 ( -13.377 0.000 0.000) 13.377 16.167 ( 4.360 0.000 0.000) 4.360 16.301 ( -3.415 0.000 0.000) 3.415 16.466 ( 7.771 0.000 0.000) 7.771 17.009 ( -1.897 0.000 0.000) 1.897 17.295 ( 13.222 0.000 0.000) 13.222 17.391 ( 1.090 0.000 0.000) 1.090 17.491 ( 2.977 0.000 0.000) 2.977 17.673 ( 2.863 0.000 0.000) 2.863 17.730 ( 5.000 0.000 0.000) 5.000 18.249 ( -4.797 0.000 0.000) 4.797 18.561 ( 5.152 0.000 0.000) 5.152 18.633 ( 0.903 0.000 0.000) 0.903 18.689 ( -3.253 0.000 0.000) 3.253 18.881 ( -0.029 0.000 0.000) 0.029 18.895 ( -2.081 0.000 0.000) 2.081 19.342 ( -1.069 0.000 0.000) 1.069 19.354 ( 2.119 0.000 0.000) 2.119 19.684 ( -15.401 0.000 0.000) 15.401 20.162 ( 9.278 0.000 0.000) 9.278 20.440 ( 6.368 0.000 0.000) 6.368 20.613 ( -1.791 0.000 0.000) 1.791 20.692 ( 4.715 0.000 0.000) 4.715 20.791 ( -4.774 0.000 0.000) 4.774 21.258 ( -9.308 0.000 0.000) 9.308 21.367 ( 1.451 0.000 0.000) 1.451 21.605 ( -2.042 0.000 0.000) 2.042 21.795 ( 1.734 0.000 0.000) 1.734 22.212 ( -8.196 0.000 0.000) 8.196 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 12.489 0.000 0.000) 12.489 2.382 ( -9.465 0.000 0.000) 9.465 2.476 ( 25.219 0.000 0.000) 25.219 2.929 ( 7.763 0.000 0.000) 7.763 3.097 ( -1.456 0.000 0.000) 1.456 3.109 ( -7.919 0.000 0.000) 7.919 3.289 ( -8.413 0.000 0.000) 8.413 3.399 ( -6.301 0.000 0.000) 6.301 3.442 ( 6.871 0.000 0.000) 6.871 3.606 ( -11.462 0.000 0.000) 11.462 3.635 ( -3.708 0.000 0.000) 3.708 3.784 ( -6.431 0.000 0.000) 6.431 3.897 ( 4.330 0.000 0.000) 4.330 3.951 ( 0.030 0.000 0.000) 0.030 4.066 ( 2.772 0.000 0.000) 2.772 4.159 ( 12.111 0.000 0.000) 12.111 4.328 ( -1.401 0.000 0.000) 1.401 4.407 ( -7.567 0.000 0.000) 7.567 4.624 ( 11.704 0.000 0.000) 11.704 4.759 ( 2.960 0.000 0.000) 2.960 4.840 ( 1.518 0.000 0.000) 1.518 4.918 ( -3.395 0.000 0.000) 3.395 5.244 ( 7.507 0.000 0.000) 7.507 5.281 ( 3.063 0.000 0.000) 3.063 5.370 ( -0.456 0.000 0.000) 0.456 5.436 ( 4.103 0.000 0.000) 4.103 5.574 ( -7.156 0.000 0.000) 7.156 5.584 ( 3.427 0.000 0.000) 3.427 5.673 ( -2.883 0.000 0.000) 2.883 5.742 ( 2.594 0.000 0.000) 2.594 6.108 ( -2.419 0.000 0.000) 2.419 6.213 ( -9.470 0.000 0.000) 9.470 6.317 ( -5.471 0.000 0.000) 5.471 6.365 ( -4.118 0.000 0.000) 4.118 6.398 ( 2.398 0.000 0.000) 2.398 6.458 ( 0.331 0.000 0.000) 0.331 6.984 ( -0.049 0.000 0.000) 0.049 6.991 ( 1.227 0.000 0.000) 1.227 7.150 ( 0.046 0.000 0.000) 0.046 7.162 ( -1.085 0.000 0.000) 1.085 7.675 ( -1.565 0.000 0.000) 1.565 7.690 ( -0.783 0.000 0.000) 0.783 7.897 ( 0.267 0.000 0.000) 0.267 7.917 ( 4.995 0.000 0.000) 4.995 8.055 ( 5.052 0.000 0.000) 5.052 8.131 ( -1.398 0.000 0.000) 1.398 8.259 ( 3.089 0.000 0.000) 3.089 8.410 ( -3.376 0.000 0.000) 3.376 8.469 ( -6.785 0.000 0.000) 6.785 8.627 ( -9.531 0.000 0.000) 9.531 9.008 ( -0.379 0.000 0.000) 0.379 9.067 ( -2.212 0.000 0.000) 2.212 9.481 ( -0.461 0.000 0.000) 0.461 9.528 ( 0.148 0.000 0.000) 0.148 9.587 ( 0.926 0.000 0.000) 0.926 9.676 ( -0.323 0.000 0.000) 0.323 10.199 ( 3.615 0.000 0.000) 3.615 10.230 ( 1.706 0.000 0.000) 1.706 10.518 ( 2.877 0.000 0.000) 2.877 10.529 ( 2.600 0.000 0.000) 2.600 11.025 ( 3.972 0.000 0.000) 3.972 11.090 ( 1.079 0.000 0.000) 1.079 11.611 ( 3.570 0.000 0.000) 3.570 11.702 ( -1.017 0.000 0.000) 1.017 12.240 ( 5.579 0.000 0.000) 5.579 12.412 ( -2.544 0.000 0.000) 2.544 12.553 ( 5.734 0.000 0.000) 5.734 12.792 ( 8.574 0.000 0.000) 8.574 12.888 ( -8.687 0.000 0.000) 8.687 12.956 ( 2.770 0.000 0.000) 2.770 13.730 ( 6.238 0.000 0.000) 6.238 13.879 ( -2.214 0.000 0.000) 2.214 14.098 ( -2.343 0.000 0.000) 2.343 14.196 ( -5.200 0.000 0.000) 5.200 14.219 ( 4.165 0.000 0.000) 4.165 14.458 ( -7.109 0.000 0.000) 7.109 14.802 ( 1.232 0.000 0.000) 1.232 14.898 ( -5.251 0.000 0.000) 5.251 15.187 ( 4.797 0.000 0.000) 4.797 15.513 ( -11.835 0.000 0.000) 11.835 16.229 ( 2.002 0.000 0.000) 2.002 16.260 ( -1.077 0.000 0.000) 1.077 16.620 ( 8.324 0.000 0.000) 8.324 16.923 ( -6.571 0.000 0.000) 6.571 17.440 ( 3.511 0.000 0.000) 3.511 17.488 ( 4.570 0.000 0.000) 4.570 17.570 ( 7.069 0.000 0.000) 7.069 17.773 ( 7.581 0.000 0.000) 7.581 17.790 ( 0.078 0.000 0.000) 0.078 18.112 ( -8.779 0.000 0.000) 8.779 18.582 ( -2.475 0.000 0.000) 2.475 18.600 ( -3.006 0.000 0.000) 3.006 18.729 ( 8.134 0.000 0.000) 8.134 18.898 ( 0.788 0.000 0.000) 0.788 18.908 ( 2.702 0.000 0.000) 2.702 19.254 ( -10.625 0.000 0.000) 10.625 19.392 ( 1.703 0.000 0.000) 1.703 19.458 ( -5.550 0.000 0.000) 5.550 20.324 ( 7.902 0.000 0.000) 7.902 20.555 ( 5.256 0.000 0.000) 5.256 20.564 ( -3.718 0.000 0.000) 3.718 20.706 ( -4.057 0.000 0.000) 4.057 20.786 ( 5.426 0.000 0.000) 5.426 21.074 ( -9.600 0.000 0.000) 9.600 21.418 ( 3.633 0.000 0.000) 3.633 21.556 ( -3.022 0.000 0.000) 3.022 21.840 ( 3.238 0.000 0.000) 3.238 22.059 ( -7.731 0.000 0.000) 7.731 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -2.685 0.000 0.000) 2.685 2.277 ( 2.685 0.000 0.000) 2.685 2.876 ( -15.454 0.000 0.000) 15.454 2.876 ( 15.454 0.000 0.000) 15.454 3.060 ( -2.009 0.000 0.000) 2.009 3.060 ( 2.009 0.000 0.000) 2.009 3.272 ( -5.065 0.000 0.000) 5.065 3.272 ( 5.065 0.000 0.000) 5.065 3.496 ( -2.229 0.000 0.000) 2.229 3.496 ( 2.229 0.000 0.000) 2.229 3.626 ( -8.418 0.000 0.000) 8.418 3.626 ( 8.418 0.000 0.000) 8.418 3.951 ( -0.689 0.000 0.000) 0.689 3.951 ( 0.689 0.000 0.000) 0.689 4.179 ( -7.246 0.000 0.000) 7.246 4.179 ( 7.246 0.000 0.000) 7.246 4.328 ( -0.575 0.000 0.000) 0.575 4.328 ( 0.575 0.000 0.000) 0.575 4.811 ( -1.057 0.000 0.000) 1.057 4.811 ( 1.057 0.000 0.000) 1.057 4.831 ( -3.471 0.000 0.000) 3.471 4.831 ( 3.471 0.000 0.000) 3.471 5.329 ( -2.342 0.000 0.000) 2.342 5.329 ( 2.342 0.000 0.000) 2.342 5.413 ( -9.126 0.000 0.000) 9.126 5.413 ( 9.126 0.000 0.000) 9.126 5.595 ( -6.220 0.000 0.000) 6.220 5.595 ( 6.220 0.000 0.000) 6.220 5.706 ( -9.145 0.000 0.000) 9.145 5.706 ( 9.145 0.000 0.000) 9.145 6.073 ( -0.581 0.000 0.000) 0.581 6.073 ( 0.581 0.000 0.000) 0.581 6.291 ( -2.031 0.000 0.000) 2.031 6.291 ( 2.031 0.000 0.000) 2.031 6.445 ( -1.847 0.000 0.000) 1.847 6.445 ( 1.847 0.000 0.000) 1.847 6.988 ( -0.746 0.000 0.000) 0.746 6.988 ( 0.746 0.000 0.000) 0.746 7.157 ( -0.235 0.000 0.000) 0.235 7.157 ( 0.235 0.000 0.000) 0.235 7.669 ( -0.927 0.000 0.000) 0.927 7.669 ( 0.927 0.000 0.000) 0.927 7.923 ( -2.123 0.000 0.000) 2.123 7.923 ( 2.123 0.000 0.000) 2.123 8.131 ( -1.518 0.000 0.000) 1.518 8.131 ( 1.518 0.000 0.000) 1.518 8.342 ( -5.577 0.000 0.000) 5.577 8.342 ( 5.577 0.000 0.000) 5.577 8.447 ( -7.691 0.000 0.000) 7.691 8.447 ( 7.691 0.000 0.000) 7.691 9.026 ( -1.831 0.000 0.000) 1.831 9.026 ( 1.831 0.000 0.000) 1.831 9.496 ( -1.808 0.000 0.000) 1.808 9.496 ( 1.808 0.000 0.000) 1.808 9.643 ( -3.033 0.000 0.000) 3.033 9.643 ( 3.033 0.000 0.000) 3.033 10.239 ( -0.727 0.000 0.000) 0.727 10.239 ( 0.727 0.000 0.000) 0.727 10.550 ( -0.358 0.000 0.000) 0.358 10.550 ( 0.358 0.000 0.000) 0.358 11.080 ( -1.836 0.000 0.000) 1.836 11.080 ( 1.836 0.000 0.000) 1.836 11.668 ( -2.446 0.000 0.000) 2.446 11.668 ( 2.446 0.000 0.000) 2.446 12.337 ( -4.632 0.000 0.000) 4.632 12.337 ( 4.632 0.000 0.000) 4.632 12.700 ( -8.765 0.000 0.000) 8.765 12.700 ( 8.765 0.000 0.000) 8.765 12.943 ( -4.307 0.000 0.000) 4.307 12.943 ( 4.307 0.000 0.000) 4.307 13.828 ( -3.615 0.000 0.000) 3.615 13.828 ( 3.615 0.000 0.000) 3.615 14.108 ( -3.315 0.000 0.000) 3.315 14.108 ( 3.315 0.000 0.000) 3.315 14.320 ( -6.660 0.000 0.000) 6.660 14.320 ( 6.660 0.000 0.000) 6.660 14.833 ( -2.070 0.000 0.000) 2.070 14.833 ( 2.070 0.000 0.000) 2.070 15.316 ( -8.690 0.000 0.000) 8.690 15.316 ( 8.690 0.000 0.000) 8.690 16.249 ( -0.447 0.000 0.000) 0.447 16.249 ( 0.447 0.000 0.000) 0.447 16.779 ( -8.191 0.000 0.000) 8.191 16.779 ( 8.191 0.000 0.000) 8.191 17.498 ( -1.958 0.000 0.000) 1.958 17.498 ( 1.958 0.000 0.000) 1.958 17.720 ( -6.834 0.000 0.000) 6.834 17.720 ( 6.834 0.000 0.000) 6.834 17.939 ( -9.194 0.000 0.000) 9.194 17.939 ( 9.194 0.000 0.000) 9.194 18.560 ( -0.610 0.000 0.000) 0.610 18.560 ( 0.610 0.000 0.000) 0.610 18.877 ( -4.229 0.000 0.000) 4.229 18.877 ( 4.229 0.000 0.000) 4.229 19.017 ( -10.670 0.000 0.000) 10.670 19.017 ( 10.670 0.000 0.000) 10.670 19.416 ( -1.007 0.000 0.000) 1.007 19.416 ( 1.007 0.000 0.000) 1.007 20.464 ( -6.609 0.000 0.000) 6.609 20.464 ( 6.609 0.000 0.000) 6.609 20.637 ( -3.555 0.000 0.000) 3.555 20.637 ( 3.555 0.000 0.000) 3.555 20.908 ( -7.586 0.000 0.000) 7.586 20.908 ( 7.586 0.000 0.000) 7.586 21.491 ( -3.748 0.000 0.000) 3.748 21.491 ( 3.748 0.000 0.000) 3.748 21.927 ( -5.920 0.000 0.000) 5.920 21.927 ( 5.920 0.000 0.000) 5.920 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 32.267 0.000) 32.267 0.660 ( 0.000 35.235 0.000) 35.235 1.144 ( 0.000 60.545 0.000) 60.545 2.429 ( 0.000 -11.691 0.000) 11.691 2.668 ( 0.000 6.493 0.000) 6.493 2.748 ( 0.000 -14.384 0.000) 14.384 2.951 ( 0.000 4.641 0.000) 4.641 2.965 ( 0.000 -1.515 0.000) 1.515 3.320 ( 0.000 -7.175 0.000) 7.175 3.657 ( 0.000 -1.232 0.000) 1.232 3.719 ( 0.000 -1.786 0.000) 1.786 3.885 ( 0.000 -1.509 0.000) 1.509 4.010 ( 0.000 10.206 0.000) 10.206 4.198 ( 0.000 -5.801 0.000) 5.801 4.355 ( 0.000 -6.711 0.000) 6.711 4.395 ( 0.000 2.852 0.000) 2.852 4.405 ( 0.000 0.978 0.000) 0.978 4.577 ( 0.000 -1.974 0.000) 1.974 4.807 ( 0.000 4.079 0.000) 4.079 4.870 ( 0.000 -2.521 0.000) 2.521 4.905 ( 0.000 0.386 0.000) 0.386 5.012 ( 0.000 -5.495 0.000) 5.495 5.065 ( 0.000 9.326 0.000) 9.326 5.271 ( 0.000 -5.493 0.000) 5.493 5.394 ( 0.000 7.935 0.000) 7.935 5.626 ( 0.000 4.450 0.000) 4.450 5.651 ( 0.000 -0.310 0.000) 0.310 5.878 ( 0.000 -5.405 0.000) 5.405 5.915 ( 0.000 1.421 0.000) 1.421 6.197 ( 0.000 -2.639 0.000) 2.639 6.226 ( 0.000 -8.354 0.000) 8.354 6.339 ( 0.000 3.972 0.000) 3.972 6.373 ( 0.000 -2.866 0.000) 2.866 6.437 ( 0.000 -3.814 0.000) 3.814 6.525 ( 0.000 3.004 0.000) 3.004 6.575 ( 0.000 -0.043 0.000) 0.043 6.740 ( 0.000 3.278 0.000) 3.278 7.008 ( 0.000 0.800 0.000) 0.800 7.059 ( 0.000 0.981 0.000) 0.981 7.339 ( 0.000 0.233 0.000) 0.233 7.465 ( 0.000 -2.231 0.000) 2.231 7.728 ( 0.000 0.726 0.000) 0.726 7.861 ( 0.000 0.816 0.000) 0.816 8.038 ( 0.000 -1.134 0.000) 1.134 8.040 ( 0.000 -4.054 0.000) 4.054 8.095 ( 0.000 -3.772 0.000) 3.772 8.203 ( 0.000 1.574 0.000) 1.574 8.570 ( 0.000 -0.525 0.000) 0.525 8.649 ( 0.000 -9.308 0.000) 9.308 9.018 ( 0.000 -6.120 0.000) 6.120 9.083 ( 0.000 10.211 0.000) 10.211 9.163 ( 0.000 0.832 0.000) 0.832 9.526 ( 0.000 -1.063 0.000) 1.063 9.591 ( 0.000 -1.514 0.000) 1.514 9.686 ( 0.000 2.874 0.000) 2.874 9.831 ( 0.000 -2.026 0.000) 2.026 9.846 ( 0.000 -1.221 0.000) 1.221 9.983 ( 0.000 3.741 0.000) 3.741 10.061 ( 0.000 -3.238 0.000) 3.238 10.125 ( 0.000 0.186 0.000) 0.186 10.655 ( 0.000 6.111 0.000) 6.111 10.793 ( 0.000 3.136 0.000) 3.136 11.060 ( 0.000 -3.777 0.000) 3.777 11.275 ( 0.000 -2.747 0.000) 2.747 11.959 ( 0.000 1.703 0.000) 1.703 12.248 ( 0.000 -1.480 0.000) 1.480 12.530 ( 0.000 1.090 0.000) 1.090 12.559 ( 0.000 -0.520 0.000) 0.520 12.701 ( 0.000 3.997 0.000) 3.997 13.255 ( 0.000 -4.816 0.000) 4.816 13.670 ( 0.000 5.050 0.000) 5.050 13.936 ( 0.000 4.464 0.000) 4.464 14.164 ( 0.000 -5.035 0.000) 5.035 14.387 ( 0.000 -2.468 0.000) 2.468 14.706 ( 0.000 -0.320 0.000) 0.320 14.810 ( 0.000 -0.191 0.000) 0.191 14.838 ( 0.000 5.270 0.000) 5.270 15.107 ( 0.000 -0.303 0.000) 0.303 15.617 ( 0.000 2.406 0.000) 2.406 15.871 ( 0.000 -1.676 0.000) 1.676 16.195 ( 0.000 -0.900 0.000) 0.900 16.307 ( 0.000 -3.674 0.000) 3.674 16.466 ( 0.000 -4.840 0.000) 4.840 16.620 ( 0.000 -1.808 0.000) 1.808 16.892 ( 0.000 7.506 0.000) 7.506 17.012 ( 0.000 1.356 0.000) 1.356 17.400 ( 0.000 -1.527 0.000) 1.527 17.682 ( 0.000 -9.981 0.000) 9.981 17.722 ( 0.000 3.244 0.000) 3.244 18.227 ( 0.000 -5.973 0.000) 5.973 18.253 ( 0.000 5.852 0.000) 5.852 18.494 ( 0.000 9.677 0.000) 9.677 18.927 ( 0.000 -2.809 0.000) 2.809 18.932 ( 0.000 -0.635 0.000) 0.635 19.015 ( 0.000 0.741 0.000) 0.741 19.070 ( 0.000 -0.495 0.000) 0.495 19.410 ( 0.000 2.625 0.000) 2.625 19.835 ( 0.000 -3.308 0.000) 3.308 20.097 ( 0.000 -1.563 0.000) 1.563 20.369 ( 0.000 10.378 0.000) 10.378 20.403 ( 0.000 -4.283 0.000) 4.283 20.849 ( 0.000 -0.631 0.000) 0.631 21.159 ( 0.000 1.121 0.000) 1.121 21.292 ( 0.000 -1.068 0.000) 1.068 21.418 ( 0.000 1.449 0.000) 1.449 21.553 ( 0.000 -0.900 0.000) 0.900 22.100 ( 0.000 0.289 0.000) 0.289 22.288 ( 0.000 -2.903 0.000) 2.903 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 22.529 20.528 0.000) 30.479 0.897 ( 24.329 23.160 0.000) 33.590 1.682 ( 43.857 38.078 0.000) 58.081 2.457 ( 3.032 -10.560 0.000) 10.987 2.754 ( 7.561 -0.846 0.000) 7.608 2.861 ( 10.553 -8.154 0.000) 13.336 2.950 ( 0.029 4.236 0.000) 4.236 3.026 ( 6.485 -0.922 0.000) 6.551 3.365 ( 4.228 -6.940 0.000) 8.127 3.614 ( -4.476 -1.281 0.000) 4.656 3.684 ( -2.942 -1.382 0.000) 3.251 3.902 ( 1.609 1.708 0.000) 2.346 4.019 ( 1.100 6.290 0.000) 6.386 4.159 ( -3.317 -5.112 0.000) 6.094 4.297 ( -6.383 -6.893 0.000) 9.395 4.347 ( -2.422 3.659 0.000) 4.388 4.438 ( 1.152 1.615 0.000) 1.984 4.570 ( -1.103 -1.870 0.000) 2.171 4.787 ( -0.930 1.746 0.000) 1.978 4.827 ( -8.350 3.149 0.000) 8.925 4.866 ( -3.333 -1.802 0.000) 3.789 5.043 ( 1.841 -4.763 0.000) 5.107 5.074 ( 1.981 2.667 0.000) 3.322 5.178 ( -5.984 -1.665 0.000) 6.212 5.353 ( -2.162 8.390 0.000) 8.664 5.622 ( -1.666 4.037 0.000) 4.367 5.695 ( 1.794 -1.185 0.000) 2.150 5.764 ( -4.403 3.494 0.000) 5.621 5.926 ( -8.012 11.204 0.000) 13.774 6.025 ( -0.423 -7.163 0.000) 7.175 6.235 ( 0.136 -2.560 0.000) 2.564 6.255 ( -2.694 -5.814 0.000) 6.408 6.363 ( -6.698 -2.565 0.000) 7.172 6.408 ( -1.907 -0.429 0.000) 1.955 6.511 ( -1.497 -2.947 0.000) 3.306 6.610 ( 0.323 2.430 0.000) 2.452 6.815 ( 3.989 0.998 0.000) 4.112 6.971 ( -0.788 5.059 0.000) 5.120 7.114 ( 3.156 0.795 0.000) 3.255 7.394 ( 2.793 2.709 0.000) 3.891 7.523 ( 0.925 -12.038 0.000) 12.073 7.729 ( -0.926 -0.528 0.000) 1.066 7.814 ( -1.965 2.108 0.000) 2.882 7.963 ( -8.464 -1.682 0.000) 8.629 8.051 ( 2.116 -2.824 0.000) 3.529 8.100 ( 0.875 -0.494 0.000) 1.005 8.252 ( 4.486 0.326 0.000) 4.498 8.596 ( -3.192 -9.356 0.000) 9.886 8.653 ( 5.727 -0.946 0.000) 5.804 8.934 ( -10.335 6.130 0.000) 12.016 8.994 ( -2.549 -5.632 0.000) 6.182 9.172 ( -0.618 -2.877 0.000) 2.942 9.451 ( 0.424 -0.396 0.000) 0.580 9.612 ( -2.997 -0.744 0.000) 3.088 9.742 ( 4.018 4.233 0.000) 5.837 9.760 ( -4.084 1.856 0.000) 4.486 9.925 ( 5.743 -1.291 0.000) 5.886 9.979 ( 0.233 1.930 0.000) 1.945 10.160 ( 4.494 0.057 0.000) 4.494 10.217 ( 7.939 -5.575 0.000) 9.701 10.707 ( 5.493 6.697 0.000) 8.662 10.757 ( 6.199 9.057 0.000) 10.975 11.298 ( 5.544 -4.644 0.000) 7.231 11.412 ( 14.348 -11.681 0.000) 18.502 11.975 ( 1.759 1.441 0.000) 2.274 12.245 ( 0.450 -2.095 0.000) 2.143 12.509 ( -0.786 3.142 0.000) 3.239 12.595 ( 2.539 0.398 0.000) 2.570 12.704 ( 0.718 6.011 0.000) 6.054 13.296 ( 1.864 -8.103 0.000) 8.314 13.610 ( -4.899 3.083 0.000) 5.788 13.938 ( -0.512 1.444 0.000) 1.532 14.114 ( -5.238 -1.112 0.000) 5.355 14.309 ( -3.856 2.005 0.000) 4.346 14.473 ( -5.342 9.656 0.000) 11.035 14.753 ( -3.528 1.257 0.000) 3.746 14.971 ( -0.493 -4.344 0.000) 4.372 15.093 ( -1.595 -0.926 0.000) 1.845 15.492 ( -11.034 6.114 0.000) 12.614 15.879 ( 5.835 1.470 0.000) 6.018 16.179 ( 2.336 -1.126 0.000) 2.594 16.250 ( -8.082 -6.001 0.000) 10.066 16.492 ( -2.400 -1.433 0.000) 2.796 16.725 ( 7.784 -5.898 0.000) 9.766 17.019 ( 4.039 5.102 0.000) 6.507 17.159 ( 12.150 -9.006 0.000) 15.124 17.418 ( 1.742 -1.467 0.000) 2.278 17.676 ( -1.497 -4.309 0.000) 4.562 17.749 ( 1.757 4.172 0.000) 4.527 18.270 ( 1.842 0.166 0.000) 1.850 18.286 ( 4.971 -2.273 0.000) 5.466 18.523 ( 3.073 7.409 0.000) 8.021 18.791 ( -5.759 3.204 0.000) 6.590 18.914 ( -2.517 -2.179 0.000) 3.329 18.989 ( 0.138 -3.143 0.000) 3.146 19.195 ( 3.332 -7.674 0.000) 8.366 19.423 ( 1.131 4.546 0.000) 4.685 19.837 ( 1.895 -2.214 0.000) 2.914 20.087 ( -2.654 -2.881 0.000) 3.917 20.364 ( -0.765 4.593 0.000) 4.657 20.450 ( 4.716 -0.818 0.000) 4.786 20.784 ( -3.857 4.757 0.000) 6.124 21.044 ( -6.755 4.941 0.000) 8.370 21.343 ( 0.223 -5.159 0.000) 5.164 21.441 ( 0.773 -1.765 0.000) 1.927 21.553 ( 0.355 -1.667 0.000) 1.704 21.930 ( -6.350 9.312 0.000) 11.271 22.385 ( 0.507 -7.440 0.000) 7.458 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 30.358 6.682 0.000) 31.085 1.407 ( 27.453 14.441 0.000) 31.020 2.482 ( 19.233 -1.253 0.000) 19.273 2.595 ( 26.373 6.607 0.000) 27.188 2.865 ( -0.393 -4.043 0.000) 4.062 2.976 ( 7.249 2.177 0.000) 7.569 3.078 ( 11.021 -4.385 0.000) 11.861 3.222 ( 13.493 0.221 0.000) 13.495 3.404 ( -3.153 -1.481 0.000) 3.484 3.556 ( 1.823 -2.276 0.000) 2.916 3.627 ( -3.056 -2.656 0.000) 4.048 3.922 ( -1.531 2.192 0.000) 2.674 4.022 ( -3.488 0.220 0.000) 3.495 4.074 ( -2.822 0.920 0.000) 2.968 4.147 ( -7.664 -2.780 0.000) 8.153 4.319 ( -1.698 -1.020 0.000) 1.981 4.416 ( -7.414 2.649 0.000) 7.873 4.499 ( -3.414 6.400 0.000) 7.253 4.642 ( -7.515 -0.394 0.000) 7.525 4.756 ( -0.772 1.936 0.000) 2.084 4.831 ( -0.677 -0.321 0.000) 0.749 4.993 ( -5.573 -1.495 0.000) 5.769 5.105 ( 4.016 -6.642 0.000) 7.762 5.204 ( 4.012 3.583 0.000) 5.379 5.313 ( -1.789 6.747 0.000) 6.980 5.573 ( -3.440 5.397 0.000) 6.400 5.603 ( -8.022 1.753 0.000) 8.211 5.756 ( 0.899 4.002 0.000) 4.102 5.877 ( 0.405 7.611 0.000) 7.621 5.907 ( -9.565 -5.635 0.000) 11.102 6.202 ( -3.715 -5.572 0.000) 6.697 6.252 ( 1.796 -2.353 0.000) 2.960 6.305 ( 0.220 -3.518 0.000) 3.525 6.343 ( -4.463 -4.045 0.000) 6.023 6.488 ( -0.809 0.981 0.000) 1.272 6.577 ( -3.509 -2.907 0.000) 4.557 6.882 ( 3.572 3.504 0.000) 5.003 6.964 ( -0.327 3.354 0.000) 3.370 7.153 ( 0.660 -0.584 0.000) 0.881 7.360 ( -6.137 -1.489 0.000) 6.315 7.568 ( 4.905 -4.536 0.000) 6.681 7.698 ( -1.422 -1.422 0.000) 2.011 7.819 ( -0.134 3.778 0.000) 3.780 7.840 ( -1.317 -0.595 0.000) 1.446 8.062 ( -2.922 -1.965 0.000) 3.521 8.108 ( 2.306 0.497 0.000) 2.359 8.318 ( 1.233 0.948 0.000) 1.555 8.543 ( -2.625 -6.878 0.000) 7.362 8.715 ( -5.630 0.985 0.000) 5.715 8.763 ( -1.670 -0.871 0.000) 1.884 8.956 ( -1.124 -9.529 0.000) 9.595 9.129 ( -3.992 -5.170 0.000) 6.531 9.488 ( 2.508 0.065 0.000) 2.508 9.557 ( -2.248 1.888 0.000) 2.935 9.681 ( -2.933 2.803 0.000) 4.057 9.780 ( -0.690 6.807 0.000) 6.842 10.003 ( 4.421 1.475 0.000) 4.661 10.066 ( 6.500 -0.537 0.000) 6.522 10.285 ( 7.687 -2.251 0.000) 8.010 10.331 ( 5.108 -3.096 0.000) 5.973 10.848 ( 7.811 5.406 0.000) 9.499 10.933 ( 10.045 7.427 0.000) 12.492 11.404 ( 5.853 -2.602 0.000) 6.406 11.600 ( 6.189 -5.898 0.000) 8.549 12.034 ( 4.564 1.219 0.000) 4.724 12.280 ( 3.198 -2.798 0.000) 4.250 12.517 ( 1.755 3.263 0.000) 3.705 12.611 ( -0.649 0.594 0.000) 0.880 12.769 ( 6.053 6.745 0.000) 9.063 13.266 ( -5.648 -1.965 0.000) 5.981 13.535 ( -1.734 -2.313 0.000) 2.891 13.883 ( -4.192 -7.338 0.000) 8.451 14.088 ( 2.511 2.758 0.000) 3.730 14.283 ( -0.890 2.012 0.000) 2.200 14.399 ( -3.789 5.290 0.000) 6.506 14.671 ( -4.633 0.272 0.000) 4.640 14.893 ( -5.825 0.176 0.000) 5.827 15.060 ( -1.887 -3.239 0.000) 3.748 15.302 ( -8.489 7.516 0.000) 11.338 15.933 ( -5.697 -4.308 0.000) 7.143 16.103 ( -0.780 0.502 0.000) 0.927 16.267 ( 4.130 -4.305 0.000) 5.966 16.426 ( -2.276 2.323 0.000) 3.252 16.872 ( 6.514 -8.426 0.000) 10.650 17.127 ( 7.960 4.285 0.000) 9.040 17.326 ( 6.827 -3.350 0.000) 7.604 17.462 ( 2.554 0.031 0.000) 2.554 17.618 ( -3.603 1.098 0.000) 3.767 17.784 ( 2.448 7.168 0.000) 7.574 18.290 ( -0.108 -0.088 0.000) 0.139 18.395 ( 5.660 -4.627 0.000) 7.311 18.591 ( 3.182 2.196 0.000) 3.866 18.741 ( -0.529 -0.273 0.000) 0.595 18.843 ( -4.360 -3.586 0.000) 5.645 18.979 ( -1.439 -1.393 0.000) 2.003 19.209 ( -0.684 -9.180 0.000) 9.206 19.436 ( 0.211 6.911 0.000) 6.914 19.938 ( 8.060 -3.271 0.000) 8.699 19.975 ( -8.799 1.322 0.000) 8.898 20.364 ( 1.272 1.251 0.000) 1.784 20.546 ( 4.753 -1.539 0.000) 4.996 20.735 ( -1.572 5.717 0.000) 5.929 20.928 ( -5.261 4.001 0.000) 6.609 21.312 ( -3.633 -5.644 0.000) 6.712 21.407 ( -2.612 0.417 0.000) 2.645 21.575 ( 1.230 -3.167 0.000) 3.397 21.866 ( -1.743 7.430 0.000) 7.631 22.321 ( -5.998 -4.308 0.000) 7.384 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 23.179 10.347 0.000) 25.384 1.952 ( 29.137 1.254 0.000) 29.164 2.571 ( -2.800 -2.469 0.000) 3.733 2.788 ( -1.173 -2.019 0.000) 2.335 2.946 ( 5.785 -8.577 0.000) 10.346 3.225 ( 7.933 -7.721 0.000) 11.070 3.288 ( -5.019 3.509 0.000) 6.125 3.375 ( 11.847 0.096 0.000) 11.847 3.505 ( 13.600 3.190 0.000) 13.970 3.544 ( -6.592 -1.360 0.000) 6.731 3.653 ( 9.396 -0.077 0.000) 9.397 3.775 ( -6.598 -5.637 0.000) 8.678 3.923 ( -6.345 1.788 0.000) 6.592 4.031 ( -3.765 2.976 0.000) 4.799 4.097 ( -1.968 5.436 0.000) 5.781 4.165 ( -7.377 5.201 0.000) 9.026 4.310 ( -1.502 -0.647 0.000) 1.635 4.498 ( 0.327 2.243 0.000) 2.267 4.541 ( -1.721 -0.447 0.000) 1.778 4.791 ( -2.496 0.709 0.000) 2.595 4.813 ( 5.134 5.531 0.000) 7.546 4.927 ( -2.375 -2.262 0.000) 3.280 5.190 ( 4.752 -5.250 0.000) 7.081 5.247 ( 1.457 7.089 0.000) 7.237 5.327 ( 3.182 0.173 0.000) 3.187 5.432 ( -6.705 -0.622 0.000) 6.734 5.536 ( -2.070 6.566 0.000) 6.884 5.730 ( -3.977 -1.220 0.000) 4.160 5.803 ( -1.033 2.864 0.000) 3.045 5.843 ( -3.948 10.168 0.000) 10.908 6.141 ( -2.730 -2.328 0.000) 3.587 6.261 ( 0.915 -7.471 0.000) 7.527 6.286 ( -2.087 -2.368 0.000) 3.156 6.344 ( 2.143 -3.846 0.000) 4.403 6.413 ( -7.045 -3.551 0.000) 7.889 6.510 ( -3.451 -1.099 0.000) 3.622 6.946 ( 0.793 1.214 0.000) 1.450 6.963 ( 2.759 -0.467 0.000) 2.798 7.138 ( -2.231 -1.206 0.000) 2.536 7.235 ( -5.867 -0.628 0.000) 5.901 7.640 ( 1.842 -3.073 0.000) 3.582 7.727 ( 4.180 -2.010 0.000) 4.638 7.794 ( 1.034 3.726 0.000) 3.867 7.904 ( 3.418 1.467 0.000) 3.719 7.997 ( -2.244 -1.348 0.000) 2.618 8.159 ( 2.305 1.718 0.000) 2.875 8.288 ( -3.541 1.713 0.000) 3.934 8.460 ( -6.296 -5.220 0.000) 8.179 8.571 ( -6.255 -0.598 0.000) 6.284 8.752 ( -2.553 -1.895 0.000) 3.179 8.947 ( -0.218 -8.495 0.000) 8.497 9.048 ( -3.386 -5.016 0.000) 6.052 9.519 ( -1.276 4.298 0.000) 4.484 9.542 ( 2.914 1.311 0.000) 3.195 9.642 ( -2.032 3.210 0.000) 3.799 9.756 ( -1.159 6.584 0.000) 6.686 10.104 ( 5.443 0.104 0.000) 5.444 10.172 ( 4.429 -0.255 0.000) 4.436 10.418 ( 5.392 -2.998 0.000) 6.170 10.427 ( 5.260 -2.206 0.000) 5.704 10.981 ( 5.915 5.363 0.000) 7.984 11.083 ( 5.191 5.783 0.000) 7.772 11.509 ( 4.887 -2.297 0.000) 5.400 11.671 ( 1.642 -3.274 0.000) 3.663 12.141 ( 6.299 1.570 0.000) 6.491 12.360 ( 4.826 -2.038 0.000) 5.239 12.530 ( -1.282 0.165 0.000) 1.293 12.655 ( 6.486 3.022 0.000) 7.155 12.890 ( 5.320 4.163 0.000) 6.755 13.111 ( -8.800 3.327 0.000) 9.408 13.554 ( 3.233 -6.438 0.000) 7.204 13.815 ( -2.899 -9.829 0.000) 10.248 14.150 ( 2.838 1.393 0.000) 3.161 14.243 ( -2.957 4.578 0.000) 5.450 14.328 ( -3.401 3.965 0.000) 5.224 14.579 ( -5.284 0.232 0.000) 5.290 14.810 ( -2.025 1.017 0.000) 2.266 15.004 ( -4.390 -2.556 0.000) 5.080 15.183 ( -3.313 5.313 0.000) 6.261 15.720 ( -13.015 -3.993 0.000) 13.614 16.168 ( 4.345 0.139 0.000) 4.347 16.282 ( -1.466 -2.118 0.000) 2.576 16.477 ( 6.450 1.662 0.000) 6.660 16.937 ( 0.131 -6.712 0.000) 6.713 17.314 ( 10.397 1.430 0.000) 10.495 17.445 ( 5.986 -0.459 0.000) 6.004 17.480 ( -0.920 4.068 0.000) 4.170 17.602 ( 2.796 -2.353 0.000) 3.655 17.852 ( 4.487 8.372 0.000) 9.498 18.246 ( -4.603 -0.600 0.000) 4.642 18.491 ( 4.283 -6.259 0.000) 7.584 18.614 ( -0.841 -0.295 0.000) 0.892 18.754 ( 1.556 0.180 0.000) 1.566 18.781 ( -1.599 -3.307 0.000) 3.673 18.939 ( -2.216 1.487 0.000) 2.669 19.183 ( -2.473 -11.399 0.000) 11.664 19.446 ( 1.104 7.040 0.000) 7.127 19.782 ( -10.449 8.019 0.000) 13.172 20.099 ( 8.030 -5.898 0.000) 9.964 20.409 ( 2.766 -3.294 0.000) 4.302 20.621 ( 2.958 -0.796 0.000) 3.063 20.717 ( -0.282 4.809 0.000) 4.817 20.849 ( -3.009 4.271 0.000) 5.225 21.193 ( -8.110 -5.915 0.000) 10.037 21.396 ( 1.306 2.458 0.000) 2.783 21.584 ( -0.361 -1.832 0.000) 1.867 21.843 ( -0.654 4.347 0.000) 4.396 22.187 ( -7.604 -2.680 0.000) 8.063 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 11.132 7.342 0.000) 13.335 2.409 ( -2.380 2.239 0.000) 3.268 2.485 ( 19.253 1.224 0.000) 19.292 2.876 ( 6.818 -4.900 0.000) 8.396 3.014 ( 2.319 -5.748 0.000) 6.199 3.153 ( -8.314 4.290 0.000) 9.356 3.290 ( -7.668 -0.513 0.000) 7.685 3.372 ( 6.541 -6.107 0.000) 8.949 3.430 ( -5.539 -1.119 0.000) 5.651 3.600 ( -0.737 -2.230 0.000) 2.349 3.630 ( -10.434 3.032 0.000) 10.866 3.761 ( -6.283 -0.607 0.000) 6.312 3.892 ( 3.082 -1.481 0.000) 3.419 3.961 ( -3.604 -1.344 0.000) 3.846 4.090 ( -1.745 2.863 0.000) 3.353 4.154 ( 10.479 0.796 0.000) 10.509 4.364 ( 1.779 5.799 0.000) 6.066 4.442 ( -3.430 0.561 0.000) 3.476 4.625 ( 8.280 0.357 0.000) 8.288 4.792 ( 2.469 1.584 0.000) 2.933 4.864 ( -4.174 -4.263 0.000) 5.966 4.880 ( 0.612 5.072 0.000) 5.109 5.296 ( 6.868 1.756 0.000) 7.089 5.312 ( 4.571 4.569 0.000) 6.463 5.376 ( 0.335 -0.846 0.000) 0.911 5.401 ( 4.890 -3.088 0.000) 5.783 5.522 ( 1.224 3.794 0.000) 3.987 5.674 ( -6.582 2.026 0.000) 6.887 5.686 ( -2.735 4.478 0.000) 5.248 5.853 ( 1.694 8.085 0.000) 8.260 6.092 ( -3.019 -1.525 0.000) 3.382 6.196 ( -9.795 -1.371 0.000) 9.890 6.245 ( -3.152 -6.331 0.000) 7.072 6.309 ( 1.067 -4.951 0.000) 5.065 6.382 ( 0.327 -3.395 0.000) 3.411 6.449 ( -2.267 -1.058 0.000) 2.501 6.948 ( 0.806 -1.460 0.000) 1.668 7.039 ( 3.845 -1.816 0.000) 4.252 7.069 ( -4.434 -1.051 0.000) 4.557 7.155 ( -2.921 -2.437 0.000) 3.804 7.681 ( 2.759 0.785 0.000) 2.869 7.759 ( 0.132 5.860 0.000) 5.862 7.878 ( 3.979 -1.444 0.000) 4.233 7.910 ( 0.009 -0.947 0.000) 0.948 8.017 ( 2.235 -3.229 0.000) 3.928 8.146 ( -3.353 0.943 0.000) 3.483 8.271 ( 2.344 0.798 0.000) 2.476 8.350 ( -3.608 -5.429 0.000) 6.519 8.472 ( -3.902 0.789 0.000) 3.981 8.651 ( -7.634 1.908 0.000) 7.869 8.949 ( 0.831 -5.815 0.000) 5.875 9.008 ( -1.457 -5.065 0.000) 5.271 9.508 ( 0.373 4.419 0.000) 4.435 9.584 ( -2.125 2.511 0.000) 3.289 9.617 ( 3.065 4.731 0.000) 5.637 9.734 ( -1.536 4.662 0.000) 4.909 10.192 ( 3.556 -0.731 0.000) 3.630 10.230 ( 1.631 -0.189 0.000) 1.642 10.495 ( 3.059 -2.373 0.000) 3.871 10.509 ( 2.775 -2.170 0.000) 3.523 11.072 ( 3.697 5.015 0.000) 6.230 11.136 ( 0.738 4.887 0.000) 4.943 11.587 ( 3.378 -2.537 0.000) 4.224 11.674 ( -1.024 -3.017 0.000) 3.186 12.258 ( 5.693 1.961 0.000) 6.021 12.412 ( -1.060 0.105 0.000) 1.065 12.545 ( 4.747 -0.724 0.000) 4.802 12.775 ( 1.303 -3.382 0.000) 3.625 12.912 ( 0.145 5.233 0.000) 5.235 13.028 ( -0.043 6.095 0.000) 6.095 13.638 ( 4.873 -8.585 0.000) 9.872 13.767 ( -2.354 -9.981 0.000) 10.255 14.157 ( -0.969 4.139 0.000) 4.251 14.222 ( -0.797 2.684 0.000) 2.800 14.279 ( -0.102 5.253 0.000) 5.254 14.466 ( -6.522 0.668 0.000) 6.556 14.810 ( 1.280 0.803 0.000) 1.511 14.909 ( -4.683 0.867 0.000) 4.763 15.184 ( 3.113 -0.011 0.000) 3.113 15.482 ( -11.498 -3.218 0.000) 11.940 16.233 ( 2.204 0.364 0.000) 2.234 16.262 ( -0.475 0.076 0.000) 0.481 16.617 ( 7.820 -0.154 0.000) 7.821 16.886 ( -5.015 -3.975 0.000) 6.400 17.439 ( 2.210 1.879 0.000) 2.901 17.474 ( 0.590 -2.408 0.000) 2.480 17.587 ( 8.642 0.037 0.000) 8.642 17.681 ( 4.171 -1.969 0.000) 4.612 17.934 ( 3.808 8.650 0.000) 9.451 18.133 ( -6.589 1.983 0.000) 6.881 18.542 ( 0.741 -5.154 0.000) 5.207 18.593 ( -1.097 -0.383 0.000) 1.162 18.765 ( 2.228 3.256 0.000) 3.945 18.815 ( 3.470 -7.583 0.000) 8.339 18.908 ( -1.221 0.356 0.000) 1.272 19.091 ( -7.358 -10.721 0.000) 13.003 19.479 ( 2.282 7.683 0.000) 8.015 19.616 ( -6.392 11.604 0.000) 13.248 20.240 ( 6.983 -7.913 0.000) 10.553 20.433 ( -1.068 -7.572 0.000) 7.647 20.660 ( 1.581 2.765 0.000) 3.185 20.715 ( -0.542 2.937 0.000) 2.987 20.828 ( 1.423 3.304 0.000) 3.598 21.033 ( -8.147 -3.891 0.000) 9.028 21.444 ( 3.431 2.579 0.000) 4.292 21.561 ( -1.977 0.462 0.000) 2.030 21.851 ( 1.833 1.185 0.000) 2.183 22.042 ( -7.323 -1.789 0.000) 7.539 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -2.009 5.614 0.000) 5.962 2.333 ( 2.009 5.614 0.000) 5.962 2.866 ( -14.252 -1.612 0.000) 14.343 2.866 ( 14.252 -1.611 0.000) 14.343 3.039 ( -3.937 -0.878 0.000) 4.034 3.039 ( 3.937 -0.878 0.000) 4.034 3.269 ( -6.272 -0.928 0.000) 6.341 3.269 ( 6.272 -0.928 0.000) 6.341 3.507 ( -3.660 0.196 0.000) 3.665 3.507 ( 3.660 0.196 0.000) 3.665 3.613 ( -7.647 -0.714 0.000) 7.681 3.613 ( 7.647 -0.714 0.000) 7.681 3.908 ( -1.384 -2.428 0.000) 2.795 3.908 ( 1.384 -2.428 0.000) 2.795 4.183 ( -7.223 0.355 0.000) 7.231 4.183 ( 7.223 0.355 0.000) 7.231 4.393 ( -3.979 4.401 0.000) 5.933 4.393 ( 3.980 4.401 0.000) 5.933 4.765 ( -5.744 -3.637 0.000) 6.799 4.765 ( 5.744 -3.637 0.000) 6.799 4.853 ( -2.678 2.246 0.000) 3.495 4.853 ( 2.678 2.246 0.000) 3.495 5.357 ( -0.648 3.049 0.000) 3.117 5.357 ( 0.648 3.049 0.000) 3.117 5.468 ( -6.784 1.826 0.000) 7.025 5.468 ( 6.784 1.826 0.000) 7.025 5.538 ( -6.483 -0.876 0.000) 6.542 5.538 ( 6.483 -0.876 0.000) 6.542 5.783 ( -10.106 5.663 0.000) 11.585 5.783 ( 10.106 5.663 0.000) 11.585 6.053 ( -2.678 -1.454 0.000) 3.047 6.053 ( 2.678 -1.454 0.000) 3.047 6.267 ( -3.687 -2.629 0.000) 4.529 6.267 ( 3.687 -2.629 0.000) 4.529 6.412 ( -2.276 -3.415 0.000) 4.104 6.412 ( 2.276 -3.415 0.000) 4.104 6.989 ( -3.480 -0.654 0.000) 3.541 6.989 ( 3.480 -0.654 0.000) 3.541 7.103 ( -2.835 -3.928 0.000) 4.844 7.103 ( 2.835 -3.928 0.000) 4.844 7.737 ( -2.579 5.809 0.000) 6.356 7.737 ( 2.579 5.809 0.000) 6.356 7.908 ( -1.725 -1.300 0.000) 2.160 7.908 ( 1.725 -1.300 0.000) 2.160 8.080 ( -4.073 -4.614 0.000) 6.154 8.080 ( 4.073 -4.614 0.000) 6.154 8.309 ( -2.515 -3.185 0.000) 4.058 8.309 ( 2.515 -3.185 0.000) 4.058 8.498 ( -6.934 4.674 0.000) 8.363 8.498 ( 6.934 4.674 0.000) 8.363 8.977 ( -1.788 -4.765 0.000) 5.089 8.977 ( 1.788 -4.765 0.000) 5.089 9.534 ( -2.222 4.284 0.000) 4.826 9.534 ( 2.222 4.284 0.000) 4.826 9.687 ( -3.362 3.826 0.000) 5.093 9.687 ( 3.362 3.826 0.000) 5.093 10.236 ( -1.019 -0.546 0.000) 1.157 10.236 ( 1.019 -0.546 0.000) 1.157 10.530 ( -0.484 -2.092 0.000) 2.147 10.530 ( 0.484 -2.092 0.000) 2.147 11.124 ( -1.783 4.680 0.000) 5.008 11.124 ( 1.783 4.680 0.000) 5.008 11.641 ( -2.320 -2.907 0.000) 3.719 11.641 ( 2.320 -2.907 0.000) 3.719 12.353 ( -4.248 1.733 0.000) 4.587 12.353 ( 4.248 1.733 0.000) 4.587 12.673 ( -7.576 -2.723 0.000) 8.051 12.673 ( 7.576 -2.723 0.000) 8.051 12.994 ( -4.276 5.256 0.000) 6.775 12.994 ( 4.276 5.256 0.000) 6.775 13.717 ( -3.229 -9.798 0.000) 10.317 13.717 ( 3.229 -9.798 0.000) 10.317 14.172 ( -2.581 4.786 0.000) 5.437 14.172 ( 2.581 4.786 0.000) 5.437 14.345 ( -5.601 2.481 0.000) 6.126 14.345 ( 5.601 2.481 0.000) 6.126 14.843 ( -2.338 1.138 0.000) 2.600 14.843 ( 2.338 1.138 0.000) 2.600 15.293 ( -8.126 -2.304 0.000) 8.446 15.293 ( 8.126 -2.304 0.000) 8.446 16.256 ( -0.477 0.653 0.000) 0.808 16.256 ( 0.477 0.653 0.000) 0.808 16.764 ( -7.383 -1.736 0.000) 7.584 16.764 ( 7.383 -1.736 0.000) 7.584 17.468 ( -1.182 -1.561 0.000) 1.958 17.468 ( 1.182 -1.561 0.000) 1.958 17.706 ( -2.641 -1.472 0.000) 3.023 17.706 ( 2.641 -1.472 0.000) 3.023 18.015 ( -5.357 6.655 0.000) 8.543 18.015 ( 5.357 6.655 0.000) 8.543 18.558 ( -1.710 -1.088 0.000) 2.027 18.558 ( 1.710 -1.088 0.000) 2.027 18.845 ( -3.002 -3.971 0.000) 4.978 18.845 ( 3.002 -3.971 0.000) 4.978 18.934 ( -7.010 -4.759 0.000) 8.473 18.934 ( 7.010 -4.759 0.000) 8.473 19.531 ( -3.211 9.834 0.000) 10.345 19.531 ( 3.211 9.834 0.000) 10.345 20.364 ( -5.666 -8.723 0.000) 10.402 20.364 ( 5.666 -8.723 0.000) 10.402 20.692 ( -1.651 3.692 0.000) 4.044 20.692 ( 1.651 3.692 0.000) 4.044 20.899 ( -5.634 -0.655 0.000) 5.672 20.899 ( 5.634 -0.655 0.000) 5.672 21.511 ( -3.234 1.945 0.000) 3.774 21.511 ( 3.234 1.945 0.000) 3.774 21.919 ( -5.274 -0.782 0.000) 5.331 21.919 ( 5.274 -0.782 0.000) 5.331 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 29.779 0.000) 29.779 1.291 ( 0.000 32.919 0.000) 32.919 2.066 ( 0.000 0.416 0.000) 0.416 2.249 ( 0.000 19.671 0.000) 19.671 2.407 ( 0.000 -10.502 0.000) 10.502 2.826 ( 0.000 9.227 0.000) 9.227 2.958 ( 0.000 1.831 0.000) 1.831 3.047 ( 0.000 4.145 0.000) 4.145 3.165 ( 0.000 -7.872 0.000) 7.872 3.666 ( 0.000 -5.071 0.000) 5.071 3.674 ( 0.000 0.851 0.000) 0.851 3.796 ( 0.000 -11.769 0.000) 11.769 3.989 ( 0.000 -5.533 0.000) 5.533 4.084 ( 0.000 -13.716 0.000) 13.716 4.285 ( 0.000 8.578 0.000) 8.578 4.440 ( 0.000 3.822 0.000) 3.822 4.474 ( 0.000 0.549 0.000) 0.549 4.566 ( 0.000 -0.398 0.000) 0.398 4.783 ( 0.000 -4.430 0.000) 4.430 4.815 ( 0.000 -4.016 0.000) 4.016 4.931 ( 0.000 -2.291 0.000) 2.291 4.959 ( 0.000 -0.120 0.000) 0.120 5.211 ( 0.000 6.076 0.000) 6.076 5.292 ( 0.000 13.542 0.000) 13.542 5.507 ( 0.000 3.356 0.000) 3.356 5.608 ( 0.000 -5.548 0.000) 5.548 5.713 ( 0.000 4.191 0.000) 4.191 5.849 ( 0.000 3.332 0.000) 3.332 5.929 ( 0.000 -1.155 0.000) 1.155 6.077 ( 0.000 -6.989 0.000) 6.989 6.152 ( 0.000 -2.298 0.000) 2.298 6.266 ( 0.000 -11.154 0.000) 11.154 6.365 ( 0.000 0.885 0.000) 0.885 6.409 ( 0.000 3.543 0.000) 3.543 6.525 ( 0.000 -2.323 0.000) 2.323 6.535 ( 0.000 -4.399 0.000) 4.399 6.854 ( 0.000 8.537 0.000) 8.537 7.072 ( 0.000 5.269 0.000) 5.269 7.090 ( 0.000 1.389 0.000) 1.389 7.256 ( 0.000 -7.592 0.000) 7.592 7.495 ( 0.000 4.562 0.000) 4.562 7.721 ( 0.000 -2.855 0.000) 2.855 7.873 ( 0.000 0.018 0.000) 0.018 7.912 ( 0.000 -6.503 0.000) 6.503 8.025 ( 0.000 0.061 0.000) 0.061 8.060 ( 0.000 -1.198 0.000) 1.198 8.248 ( 0.000 3.379 0.000) 3.379 8.453 ( 0.000 -8.018 0.000) 8.018 8.625 ( 0.000 3.065 0.000) 3.065 8.872 ( 0.000 -8.881 0.000) 8.881 9.184 ( 0.000 1.470 0.000) 1.470 9.214 ( 0.000 3.279 0.000) 3.279 9.512 ( 0.000 0.192 0.000) 0.192 9.564 ( 0.000 -1.430 0.000) 1.430 9.749 ( 0.000 3.529 0.000) 3.529 9.825 ( 0.000 -0.975 0.000) 0.975 9.834 ( 0.000 2.183 0.000) 2.183 9.987 ( 0.000 -4.603 0.000) 4.603 10.039 ( 0.000 2.420 0.000) 2.420 10.113 ( 0.000 -1.398 0.000) 1.398 10.784 ( 0.000 6.856 0.000) 6.856 10.880 ( 0.000 6.567 0.000) 6.567 10.979 ( 0.000 -4.681 0.000) 4.681 11.183 ( 0.000 -7.072 0.000) 7.072 12.015 ( 0.000 4.277 0.000) 4.277 12.196 ( 0.000 -4.064 0.000) 4.064 12.545 ( 0.000 0.469 0.000) 0.469 12.552 ( 0.000 -0.253 0.000) 0.253 12.820 ( 0.000 8.465 0.000) 8.465 13.144 ( 0.000 -7.267 0.000) 7.267 13.768 ( 0.000 5.794 0.000) 5.794 14.041 ( 0.000 -7.865 0.000) 7.865 14.055 ( 0.000 7.757 0.000) 7.757 14.313 ( 0.000 -5.336 0.000) 5.336 14.728 ( 0.000 2.169 0.000) 2.169 14.800 ( 0.000 -1.046 0.000) 1.046 14.942 ( 0.000 5.691 0.000) 5.691 15.090 ( 0.000 -1.708 0.000) 1.708 15.677 ( 0.000 3.850 0.000) 3.850 15.824 ( 0.000 -3.342 0.000) 3.342 16.179 ( 0.000 -0.548 0.000) 0.548 16.235 ( 0.000 -3.648 0.000) 3.648 16.409 ( 0.000 -0.554 0.000) 0.554 16.550 ( 0.000 -5.450 0.000) 5.450 17.025 ( 0.000 5.937 0.000) 5.937 17.052 ( 0.000 2.589 0.000) 2.589 17.374 ( 0.000 -0.722 0.000) 0.722 17.509 ( 0.000 -7.979 0.000) 7.979 17.807 ( 0.000 5.889 0.000) 5.889 18.090 ( 0.000 -8.397 0.000) 8.397 18.392 ( 0.000 8.621 0.000) 8.621 18.614 ( 0.000 1.460 0.000) 1.460 18.881 ( 0.000 -1.037 0.000) 1.037 18.917 ( 0.000 -0.992 0.000) 0.992 19.031 ( 0.000 0.875 0.000) 0.875 19.058 ( 0.000 -0.670 0.000) 0.670 19.492 ( 0.000 6.150 0.000) 6.150 19.748 ( 0.000 -5.984 0.000) 5.984 20.109 ( 0.000 2.733 0.000) 2.733 20.302 ( 0.000 -6.252 0.000) 6.252 20.565 ( 0.000 10.133 0.000) 10.133 20.817 ( 0.000 -3.163 0.000) 3.163 21.187 ( 0.000 1.907 0.000) 1.907 21.264 ( 0.000 -1.869 0.000) 1.869 21.454 ( 0.000 2.250 0.000) 2.250 21.530 ( 0.000 -1.602 0.000) 1.602 22.113 ( 0.000 1.287 0.000) 1.287 22.220 ( 0.000 -4.034 0.000) 4.034 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 11.209 26.272 0.000) 28.563 1.398 ( 12.932 29.637 0.000) 32.335 2.144 ( 6.355 -14.088 0.000) 15.456 2.390 ( 10.642 -4.010 0.000) 11.373 2.546 ( 16.389 16.497 0.000) 23.254 2.919 ( 7.865 6.373 0.000) 10.123 2.996 ( 3.614 2.253 0.000) 4.258 3.080 ( 4.468 5.146 0.000) 6.815 3.220 ( 5.493 -7.021 0.000) 8.914 3.598 ( -4.772 -2.366 0.000) 5.326 3.649 ( -3.191 -2.243 0.000) 3.901 3.846 ( 3.115 -15.844 0.000) 16.148 3.976 ( 1.862 1.364 0.000) 2.309 4.121 ( -0.510 -6.147 0.000) 6.168 4.236 ( -3.615 5.054 0.000) 6.214 4.422 ( -1.898 5.427 0.000) 5.750 4.448 ( -1.613 -3.293 0.000) 3.667 4.570 ( 0.437 0.969 0.000) 1.063 4.750 ( -2.756 -2.580 0.000) 3.775 4.835 ( 0.466 -3.797 0.000) 3.825 4.893 ( -6.384 -0.945 0.000) 6.454 4.914 ( -1.136 -3.955 0.000) 4.115 5.201 ( -7.043 9.848 0.000) 12.107 5.254 ( 2.731 10.426 0.000) 10.778 5.466 ( -2.298 1.695 0.000) 2.856 5.648 ( 3.408 -3.339 0.000) 4.771 5.704 ( -0.625 4.549 0.000) 4.592 5.848 ( -2.482 5.582 0.000) 6.109 5.920 ( -3.355 -4.690 0.000) 5.767 6.013 ( -4.801 0.238 0.000) 4.807 6.142 ( -2.562 -7.684 0.000) 8.100 6.175 ( -0.829 -3.130 0.000) 3.237 6.305 ( -5.145 -2.686 0.000) 5.804 6.386 ( -8.223 -3.105 0.000) 8.789 6.462 ( 1.647 0.681 0.000) 1.782 6.599 ( 0.786 -3.207 0.000) 3.302 6.908 ( 4.403 7.639 0.000) 8.817 7.052 ( -0.901 3.175 0.000) 3.300 7.147 ( 2.713 2.779 0.000) 3.884 7.329 ( 4.742 -8.472 0.000) 9.709 7.461 ( -1.681 4.266 0.000) 4.585 7.693 ( -2.974 -4.776 0.000) 5.627 7.847 ( -0.953 1.151 0.000) 1.494 7.882 ( -2.972 -3.777 0.000) 4.806 8.034 ( 1.093 0.346 0.000) 1.146 8.082 ( 1.635 -1.312 0.000) 2.096 8.278 ( 2.797 2.122 0.000) 3.511 8.438 ( -1.490 -7.433 0.000) 7.581 8.651 ( 2.693 1.737 0.000) 3.205 8.866 ( -1.842 -7.006 0.000) 7.244 9.042 ( -11.244 3.469 0.000) 11.767 9.117 ( -7.501 -2.314 0.000) 7.850 9.471 ( -0.064 2.190 0.000) 2.191 9.579 ( -0.734 -2.581 0.000) 2.683 9.801 ( -1.784 2.446 0.000) 3.027 9.816 ( 4.794 3.239 0.000) 5.785 9.919 ( 6.725 0.997 0.000) 6.798 10.016 ( -0.008 1.786 0.000) 1.786 10.106 ( 6.560 -4.844 0.000) 8.155 10.148 ( 4.713 -2.367 0.000) 5.274 10.843 ( 5.253 7.464 0.000) 9.127 10.902 ( 6.702 6.235 0.000) 9.154 11.184 ( 12.064 -5.570 0.000) 13.288 11.263 ( 9.493 -6.628 0.000) 11.578 12.023 ( 1.109 3.784 0.000) 3.943 12.190 ( -0.104 -3.936 0.000) 3.937 12.548 ( 0.718 1.450 0.000) 1.618 12.582 ( 2.186 -0.884 0.000) 2.358 12.857 ( 3.463 9.283 0.000) 9.908 13.166 ( 2.227 -6.877 0.000) 7.229 13.680 ( -8.048 4.616 0.000) 9.278 13.916 ( -9.428 -5.430 0.000) 10.880 14.112 ( 2.033 3.499 0.000) 4.047 14.286 ( -1.363 -3.251 0.000) 3.525 14.632 ( -6.395 6.384 0.000) 9.036 14.759 ( -4.285 -1.043 0.000) 4.410 14.954 ( -0.336 2.236 0.000) 2.261 15.067 ( -2.550 -2.013 0.000) 3.249 15.601 ( -6.941 6.125 0.000) 9.257 15.847 ( 1.349 -5.182 0.000) 5.355 16.150 ( -0.183 0.086 0.000) 0.202 16.206 ( -3.461 -0.610 0.000) 3.515 16.454 ( 2.081 -1.322 0.000) 2.465 16.597 ( 4.396 -7.388 0.000) 8.597 17.081 ( 3.545 1.888 0.000) 4.017 17.120 ( 8.078 1.550 0.000) 8.226 17.405 ( 3.400 1.053 0.000) 3.559 17.572 ( 4.965 -6.065 0.000) 7.838 17.843 ( 3.282 6.012 0.000) 6.850 18.131 ( 4.045 -9.074 0.000) 9.935 18.388 ( -0.611 7.554 0.000) 7.579 18.603 ( -1.098 0.042 0.000) 1.099 18.816 ( -5.530 0.527 0.000) 5.555 18.903 ( -1.099 -1.687 0.000) 2.013 18.953 ( -4.095 1.787 0.000) 4.467 19.091 ( -0.073 -4.337 0.000) 4.338 19.533 ( 3.440 6.962 0.000) 7.765 19.774 ( 2.826 -4.853 0.000) 5.616 20.091 ( -1.846 3.011 0.000) 3.532 20.303 ( 0.159 -6.518 0.000) 6.520 20.576 ( 1.182 9.314 0.000) 9.389 20.805 ( -0.890 -1.769 0.000) 1.980 21.128 ( -5.478 3.893 0.000) 6.720 21.256 ( -1.361 -3.920 0.000) 4.149 21.445 ( -0.746 1.267 0.000) 1.470 21.518 ( -0.777 -2.135 0.000) 2.272 22.055 ( -3.505 5.252 0.000) 6.314 22.257 ( 0.857 -6.388 0.000) 6.446 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 19.489 16.986 0.000) 25.852 1.739 ( 20.503 20.113 0.000) 28.722 2.290 ( 8.904 -14.730 0.000) 17.212 2.554 ( 7.062 -19.581 0.000) 20.816 2.891 ( 10.184 10.736 0.000) 14.798 3.008 ( 3.745 3.385 0.000) 5.048 3.146 ( 11.766 5.468 0.000) 12.974 3.273 ( 16.668 6.167 0.000) 17.772 3.335 ( 4.811 -3.713 0.000) 6.077 3.524 ( -2.144 -1.309 0.000) 2.512 3.573 ( -3.827 -2.436 0.000) 4.536 3.886 ( 0.729 -12.753 0.000) 12.774 3.976 ( -7.905 2.565 0.000) 8.310 4.117 ( 5.397 3.612 0.000) 6.494 4.152 ( -3.928 2.122 0.000) 4.465 4.348 ( -5.902 3.991 0.000) 7.125 4.455 ( -0.429 1.165 0.000) 1.241 4.568 ( -1.479 -0.813 0.000) 1.688 4.655 ( -6.290 4.279 0.000) 7.608 4.786 ( -1.640 -1.971 0.000) 2.564 4.818 ( -2.590 -1.988 0.000) 3.265 4.919 ( 1.888 -10.090 0.000) 10.265 5.066 ( -5.099 10.351 0.000) 11.539 5.315 ( 2.772 6.730 0.000) 7.278 5.449 ( -0.097 3.495 0.000) 3.496 5.637 ( -7.098 4.385 0.000) 8.343 5.703 ( -1.830 6.333 0.000) 6.592 5.783 ( 0.433 -0.549 0.000) 0.699 5.813 ( -3.984 -2.826 0.000) 4.885 5.960 ( -2.505 0.498 0.000) 2.554 6.091 ( -0.903 -6.647 0.000) 6.708 6.197 ( -2.300 -2.208 0.000) 3.188 6.224 ( -4.712 -7.798 0.000) 9.111 6.252 ( -0.090 -2.601 0.000) 2.602 6.488 ( 0.549 0.257 0.000) 0.607 6.542 ( -6.426 -1.306 0.000) 6.558 6.967 ( 0.854 4.665 0.000) 4.742 7.015 ( -2.930 1.899 0.000) 3.492 7.169 ( -0.297 2.630 0.000) 2.647 7.312 ( -4.736 -3.507 0.000) 5.894 7.517 ( 5.537 -0.479 0.000) 5.558 7.637 ( -1.488 -5.246 0.000) 5.453 7.836 ( -0.413 0.605 0.000) 0.733 7.868 ( 2.021 0.829 0.000) 2.184 8.035 ( -1.776 0.433 0.000) 1.828 8.123 ( 3.282 0.387 0.000) 3.304 8.329 ( 1.675 -0.347 0.000) 1.710 8.413 ( -1.253 -6.393 0.000) 6.515 8.691 ( 0.330 -0.887 0.000) 0.947 8.752 ( -9.963 -0.943 0.000) 10.008 8.874 ( -4.406 -0.166 0.000) 4.409 9.008 ( -3.792 -6.897 0.000) 7.871 9.509 ( 3.129 1.930 0.000) 3.677 9.576 ( 0.837 -0.236 0.000) 0.870 9.753 ( -2.491 4.728 0.000) 5.344 9.859 ( -0.103 1.430 0.000) 1.434 10.044 ( 4.285 2.490 0.000) 4.956 10.058 ( 5.442 0.290 0.000) 5.449 10.225 ( 6.927 -3.539 0.000) 7.779 10.265 ( 6.097 -3.826 0.000) 7.198 10.973 ( 7.657 7.318 0.000) 10.592 11.071 ( 9.101 5.889 0.000) 10.840 11.349 ( 7.055 -2.437 0.000) 7.464 11.480 ( 9.384 -6.619 0.000) 11.484 12.073 ( 4.394 2.990 0.000) 5.315 12.216 ( 3.267 -3.936 0.000) 5.116 12.567 ( 0.806 2.217 0.000) 2.359 12.618 ( 1.809 -0.134 0.000) 1.814 12.937 ( 4.625 10.348 0.000) 11.334 13.213 ( 1.980 -3.842 0.000) 4.322 13.514 ( -8.439 0.436 0.000) 8.450 13.721 ( -9.094 -9.550 0.000) 13.187 14.149 ( 2.192 4.006 0.000) 4.567 14.281 ( 0.319 -1.825 0.000) 1.853 14.522 ( -5.321 6.581 0.000) 8.463 14.664 ( -5.032 -1.283 0.000) 5.193 14.910 ( -3.950 1.818 0.000) 4.348 15.006 ( -3.340 -2.796 0.000) 4.356 15.455 ( -7.941 8.923 0.000) 11.944 15.806 ( -7.016 -8.945 0.000) 11.368 16.125 ( 0.157 1.900 0.000) 1.906 16.208 ( 1.770 -2.327 0.000) 2.924 16.476 ( 1.765 3.497 0.000) 3.917 16.709 ( 6.280 -8.734 0.000) 10.758 17.176 ( 6.561 1.781 0.000) 6.798 17.273 ( 6.887 -3.072 0.000) 7.541 17.494 ( 5.695 4.118 0.000) 7.028 17.638 ( 1.075 -0.353 0.000) 1.131 17.913 ( 4.084 7.033 0.000) 8.133 18.216 ( 3.734 -8.274 0.000) 9.078 18.365 ( -1.638 2.598 0.000) 3.071 18.573 ( -1.999 -5.163 0.000) 5.536 18.733 ( -2.528 2.541 0.000) 3.584 18.858 ( -2.698 2.460 0.000) 3.651 18.928 ( 0.692 -3.070 0.000) 3.147 19.059 ( -2.648 -6.509 0.000) 7.027 19.582 ( 1.380 8.297 0.000) 8.411 19.852 ( 4.649 -5.818 0.000) 7.447 20.044 ( -2.884 5.687 0.000) 6.376 20.306 ( 0.108 -6.575 0.000) 6.576 20.608 ( 2.064 6.836 0.000) 7.140 20.791 ( -0.523 -0.035 0.000) 0.525 21.013 ( -5.819 4.691 0.000) 7.475 21.195 ( -5.122 -6.188 0.000) 8.032 21.430 ( -0.261 1.876 0.000) 1.894 21.522 ( 1.055 -2.744 0.000) 2.939 21.996 ( -3.049 6.551 0.000) 7.226 22.223 ( -4.099 -5.871 0.000) 7.161 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 23.342 6.444 0.000) 24.216 2.119 ( 18.284 12.082 0.000) 21.915 2.463 ( 7.830 -8.389 0.000) 11.475 2.669 ( 5.036 -12.067 0.000) 13.076 2.901 ( -1.296 4.988 0.000) 5.153 3.118 ( 4.691 -3.498 0.000) 5.852 3.301 ( 2.492 -3.645 0.000) 4.416 3.365 ( -0.409 0.377 0.000) 0.556 3.476 ( -3.223 -4.077 0.000) 5.197 3.533 ( 0.342 -2.082 0.000) 2.110 3.678 ( 15.474 5.102 0.000) 16.294 3.771 ( -3.821 4.364 0.000) 5.800 3.924 ( -2.178 -3.306 0.000) 3.959 3.984 ( -9.144 -4.867 0.000) 10.358 4.191 ( -7.908 4.947 0.000) 9.328 4.289 ( 0.645 5.667 0.000) 5.703 4.402 ( 2.289 7.810 0.000) 8.138 4.495 ( -4.648 -0.272 0.000) 4.656 4.613 ( 0.656 6.313 0.000) 6.347 4.767 ( -1.393 -2.114 0.000) 2.532 4.805 ( 0.415 -4.739 0.000) 4.757 4.990 ( 2.674 -8.775 0.000) 9.174 5.040 ( 5.361 8.091 0.000) 9.706 5.358 ( 1.359 0.503 0.000) 1.449 5.434 ( -1.776 6.241 0.000) 6.489 5.473 ( -5.870 7.884 0.000) 9.830 5.672 ( -0.728 4.075 0.000) 4.139 5.723 ( -4.251 4.338 0.000) 6.074 5.842 ( 1.207 0.953 0.000) 1.538 5.932 ( -0.462 -1.833 0.000) 1.890 6.089 ( -2.440 -8.836 0.000) 9.167 6.114 ( 1.302 -0.640 0.000) 1.451 6.230 ( 0.660 -6.314 0.000) 6.349 6.245 ( -1.707 -3.787 0.000) 4.154 6.381 ( -8.541 0.945 0.000) 8.593 6.474 ( -2.626 -2.371 0.000) 3.538 6.944 ( -2.240 -0.455 0.000) 2.286 6.966 ( -1.618 0.124 0.000) 1.622 7.143 ( -2.237 1.373 0.000) 2.625 7.211 ( -5.285 -1.702 0.000) 5.553 7.606 ( 3.979 -0.253 0.000) 3.987 7.686 ( 6.362 -2.283 0.000) 6.760 7.848 ( 1.503 1.507 0.000) 2.128 7.902 ( 0.441 -1.785 0.000) 1.839 8.001 ( -1.094 3.216 0.000) 3.397 8.190 ( 3.285 0.202 0.000) 3.291 8.299 ( -5.482 -1.332 0.000) 5.641 8.367 ( -4.014 -3.219 0.000) 5.145 8.572 ( -6.883 0.923 0.000) 6.945 8.680 ( -0.282 -5.013 0.000) 5.021 8.847 ( -0.212 -1.585 0.000) 1.599 8.951 ( -2.370 -5.110 0.000) 5.633 9.569 ( 2.644 2.163 0.000) 3.416 9.604 ( 2.169 2.728 0.000) 3.486 9.718 ( -1.293 5.256 0.000) 5.412 9.840 ( -1.503 1.845 0.000) 2.380 10.113 ( 3.595 1.084 0.000) 3.755 10.160 ( 4.319 -1.019 0.000) 4.437 10.353 ( 5.894 -3.247 0.000) 6.729 10.374 ( 5.385 -3.194 0.000) 6.261 11.107 ( 5.960 7.546 0.000) 9.616 11.207 ( 4.709 6.052 0.000) 7.669 11.458 ( 4.430 -2.357 0.000) 5.018 11.588 ( 2.357 -5.541 0.000) 6.022 12.184 ( 6.776 2.991 0.000) 7.407 12.310 ( 6.031 -3.232 0.000) 6.842 12.558 ( -1.456 2.692 0.000) 3.060 12.669 ( 3.079 -1.491 0.000) 3.421 13.016 ( 3.100 9.129 0.000) 9.641 13.202 ( -3.061 5.984 0.000) 6.722 13.415 ( -0.578 -7.812 0.000) 7.834 13.606 ( -3.412 -11.980 0.000) 12.456 14.192 ( 2.057 3.001 0.000) 3.638 14.281 ( -0.522 -0.309 0.000) 0.606 14.430 ( -3.996 6.114 0.000) 7.304 14.572 ( -4.899 -1.275 0.000) 5.062 14.840 ( -2.378 2.243 0.000) 3.269 14.950 ( -2.499 -3.234 0.000) 4.088 15.308 ( -7.148 7.919 0.000) 10.667 15.614 ( -11.572 -7.243 0.000) 13.652 16.174 ( 3.828 0.566 0.000) 3.870 16.233 ( 1.158 -2.688 0.000) 2.927 16.539 ( 4.364 4.974 0.000) 6.617 16.795 ( 2.169 -8.082 0.000) 8.368 17.327 ( 8.778 -0.002 0.000) 8.778 17.379 ( 4.687 -3.737 0.000) 5.994 17.609 ( 4.626 5.524 0.000) 7.205 17.614 ( -1.779 3.832 0.000) 4.224 18.003 ( 5.083 7.500 0.000) 9.060 18.237 ( -1.639 0.195 0.000) 1.651 18.354 ( 1.070 -7.795 0.000) 7.868 18.541 ( -1.083 -9.000 0.000) 9.065 18.709 ( -0.256 2.817 0.000) 2.829 18.825 ( -0.954 1.363 0.000) 1.664 18.942 ( 0.168 -1.171 0.000) 1.183 19.005 ( -3.032 -6.411 0.000) 7.092 19.602 ( 1.333 9.365 0.000) 9.459 19.901 ( -1.135 -0.269 0.000) 1.166 20.009 ( 0.808 1.406 0.000) 1.622 20.305 ( -0.474 -7.653 0.000) 7.667 20.650 ( 2.298 4.008 0.000) 4.620 20.783 ( -0.446 0.900 0.000) 1.005 20.923 ( -3.455 3.753 0.000) 5.101 21.075 ( -6.833 -6.034 0.000) 9.116 21.448 ( 2.047 3.027 0.000) 3.654 21.547 ( 1.356 -2.185 0.000) 2.572 21.933 ( -3.346 5.180 0.000) 6.167 22.119 ( -6.360 -4.447 0.000) 7.761 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 9.492 6.629 0.000) 11.578 2.436 ( 12.742 0.983 0.000) 12.780 2.534 ( 6.181 3.892 0.000) 7.304 2.769 ( 5.887 -6.741 0.000) 8.949 2.962 ( 6.237 1.192 0.000) 6.350 3.199 ( 4.531 -8.074 0.000) 9.258 3.242 ( -8.048 4.334 0.000) 9.140 3.322 ( -8.880 -0.093 0.000) 8.880 3.377 ( 1.536 -1.976 0.000) 2.503 3.519 ( -1.267 -5.780 0.000) 5.917 3.712 ( -6.661 3.890 0.000) 7.714 3.773 ( -6.210 0.713 0.000) 6.251 3.855 ( -0.260 -1.311 0.000) 1.337 3.899 ( -0.637 -3.706 0.000) 3.760 4.170 ( -1.779 4.277 0.000) 4.633 4.205 ( 2.601 4.012 0.000) 4.781 4.415 ( -3.220 0.067 0.000) 3.221 4.495 ( 1.198 3.668 0.000) 3.859 4.648 ( 3.279 2.196 0.000) 3.946 4.766 ( -1.103 -3.304 0.000) 3.483 4.802 ( 2.205 -0.390 0.000) 2.239 4.980 ( -2.551 0.543 0.000) 2.608 5.230 ( 10.294 -1.835 0.000) 10.456 5.368 ( 1.675 -2.615 0.000) 3.105 5.420 ( 1.910 6.754 0.000) 7.019 5.471 ( 2.568 9.001 0.000) 9.360 5.631 ( -3.896 4.710 0.000) 6.112 5.672 ( -1.540 -1.198 0.000) 1.951 5.815 ( -1.781 8.560 0.000) 8.743 5.948 ( 1.662 1.831 0.000) 2.473 6.047 ( -3.928 -3.548 0.000) 5.293 6.127 ( -0.953 -4.817 0.000) 4.911 6.179 ( -4.034 -4.007 0.000) 5.686 6.236 ( -1.614 -2.007 0.000) 2.576 6.277 ( 0.726 -4.202 0.000) 4.264 6.414 ( -3.423 -2.698 0.000) 4.359 6.919 ( -0.020 -1.756 0.000) 1.756 6.954 ( -0.152 -3.581 0.000) 3.584 7.093 ( -2.480 -0.007 0.000) 2.480 7.123 ( -3.832 -0.215 0.000) 3.838 7.701 ( 5.951 1.755 0.000) 6.204 7.821 ( 6.210 -1.726 0.000) 6.445 7.887 ( 1.814 2.629 0.000) 3.194 7.892 ( 0.083 -0.618 0.000) 0.624 7.966 ( -2.892 -0.211 0.000) 2.899 8.153 ( -8.540 -1.555 0.000) 8.680 8.233 ( 0.555 -3.777 0.000) 3.817 8.281 ( -3.811 -1.616 0.000) 4.140 8.518 ( 1.321 4.255 0.000) 4.456 8.675 ( -1.698 -0.259 0.000) 1.718 8.841 ( 0.417 -4.043 0.000) 4.064 8.916 ( -1.625 -4.653 0.000) 4.929 9.605 ( 1.613 4.806 0.000) 5.069 9.658 ( 2.140 4.497 0.000) 4.980 9.697 ( -0.140 4.131 0.000) 4.134 9.804 ( -2.395 2.012 0.000) 3.128 10.177 ( 2.896 -0.543 0.000) 2.946 10.215 ( 1.419 -1.480 0.000) 2.050 10.442 ( 3.471 -2.769 0.000) 4.440 10.458 ( 3.003 -2.965 0.000) 4.220 11.195 ( 3.374 7.604 0.000) 8.319 11.253 ( 0.551 6.865 0.000) 6.887 11.524 ( 2.646 -3.938 0.000) 4.744 11.595 ( -0.978 -5.344 0.000) 5.433 12.308 ( 5.800 3.265 0.000) 6.655 12.409 ( 2.874 -0.924 0.000) 3.019 12.542 ( 0.985 1.068 0.000) 1.453 12.688 ( -2.040 -5.313 0.000) 5.691 13.057 ( 2.652 9.660 0.000) 10.017 13.165 ( -0.959 8.762 0.000) 8.814 13.454 ( 3.347 -10.765 0.000) 11.273 13.560 ( -2.064 -11.810 0.000) 11.989 14.220 ( 1.071 2.955 0.000) 3.143 14.268 ( -0.670 1.409 0.000) 1.560 14.380 ( -1.211 5.084 0.000) 5.226 14.473 ( -5.192 -0.123 0.000) 5.193 14.833 ( 1.281 1.797 0.000) 2.207 14.911 ( -1.766 -1.053 0.000) 2.056 15.209 ( -2.324 3.170 0.000) 3.930 15.401 ( -10.242 -5.355 0.000) 11.558 16.240 ( 2.621 0.378 0.000) 2.648 16.258 ( 1.287 -0.474 0.000) 1.371 16.628 ( 4.847 1.716 0.000) 5.141 16.789 ( -2.464 -5.966 0.000) 6.455 17.432 ( 2.942 -0.582 0.000) 2.999 17.513 ( 6.335 1.010 0.000) 6.415 17.555 ( -0.797 1.670 0.000) 1.851 17.689 ( 1.783 0.420 0.000) 1.832 18.088 ( 3.501 7.323 0.000) 8.117 18.189 ( -2.671 4.999 0.000) 5.668 18.398 ( 3.429 -9.713 0.000) 10.300 18.521 ( -1.612 -8.749 0.000) 8.896 18.731 ( 2.700 0.916 0.000) 2.851 18.820 ( 0.690 1.076 0.000) 1.279 18.909 ( -3.775 -0.354 0.000) 3.792 18.947 ( -2.991 -4.116 0.000) 5.088 19.647 ( 3.461 10.109 0.000) 10.685 19.827 ( -5.168 10.610 0.000) 11.802 20.072 ( 4.881 -9.271 0.000) 10.478 20.271 ( -3.461 -9.952 0.000) 10.537 20.694 ( 2.294 2.137 0.000) 3.135 20.769 ( -1.154 0.983 0.000) 1.516 20.883 ( -0.800 2.416 0.000) 2.545 20.959 ( -4.918 -3.296 0.000) 5.920 21.500 ( 3.151 3.129 0.000) 4.441 21.566 ( 0.418 -0.154 0.000) 0.445 21.883 ( -1.326 2.327 0.000) 2.678 21.996 ( -6.184 -3.071 0.000) 6.905 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -1.151 6.560 0.000) 6.660 2.454 ( 1.151 6.560 0.000) 6.660 2.808 ( -8.953 -4.026 0.000) 9.816 2.808 ( 8.953 -4.026 0.000) 9.816 3.056 ( -7.146 2.123 0.000) 7.455 3.056 ( 7.146 2.123 0.000) 7.455 3.235 ( -2.079 -2.227 0.000) 3.046 3.235 ( 2.079 -2.227 0.000) 3.046 3.474 ( -4.477 -2.458 0.000) 5.107 3.474 ( 4.477 -2.458 0.000) 5.107 3.632 ( -3.218 1.940 0.000) 3.757 3.632 ( 3.218 1.940 0.000) 3.757 3.887 ( -2.996 -0.378 0.000) 3.020 3.887 ( 2.996 -0.378 0.000) 3.020 4.181 ( -5.987 -0.669 0.000) 6.024 4.181 ( 5.987 -0.669 0.000) 6.024 4.453 ( -4.710 2.388 0.000) 5.281 4.453 ( 4.710 2.388 0.000) 5.281 4.715 ( -3.322 -1.576 0.000) 3.677 4.715 ( 3.322 -1.576 0.000) 3.677 4.893 ( -5.816 1.638 0.000) 6.042 4.893 ( 5.816 1.638 0.000) 6.042 5.369 ( -3.595 -4.420 0.000) 5.697 5.369 ( 3.595 -4.420 0.000) 5.697 5.486 ( -3.668 6.831 0.000) 7.753 5.486 ( 3.668 6.831 0.000) 7.753 5.606 ( -2.324 3.014 0.000) 3.806 5.606 ( 2.324 3.014 0.000) 3.806 5.881 ( -7.663 5.054 0.000) 9.179 5.881 ( 7.663 5.054 0.000) 9.179 6.039 ( -4.159 -0.583 0.000) 4.199 6.039 ( 4.159 -0.583 0.000) 4.199 6.197 ( -2.817 -4.609 0.000) 5.402 6.197 ( 2.817 -4.609 0.000) 5.402 6.339 ( -4.341 -3.602 0.000) 5.640 6.339 ( 4.341 -3.602 0.000) 5.640 6.939 ( -1.515 -3.602 0.000) 3.908 6.939 ( 1.515 -3.602 0.000) 3.908 7.075 ( -0.902 0.192 0.000) 0.923 7.075 ( 0.902 0.192 0.000) 0.923 7.815 ( -5.269 1.299 0.000) 5.427 7.815 ( 5.269 1.299 0.000) 5.427 7.905 ( -1.003 1.398 0.000) 1.720 7.905 ( 1.003 1.398 0.000) 1.720 8.004 ( -6.740 -2.326 0.000) 7.130 8.004 ( 6.740 -2.326 0.000) 7.130 8.235 ( -1.076 -4.458 0.000) 4.586 8.235 ( 1.076 -4.458 0.000) 4.586 8.597 ( -5.525 5.557 0.000) 7.836 8.597 ( 5.525 5.557 0.000) 7.836 8.876 ( -2.521 -5.572 0.000) 6.116 8.876 ( 2.521 -5.572 0.000) 6.116 9.640 ( -2.064 6.410 0.000) 6.734 9.640 ( 2.064 6.410 0.000) 6.734 9.748 ( -3.432 1.933 0.000) 3.939 9.748 ( 3.432 1.933 0.000) 3.939 10.217 ( -1.130 -1.326 0.000) 1.742 10.217 ( 1.130 -1.326 0.000) 1.742 10.482 ( -0.526 -2.726 0.000) 2.777 10.482 ( 0.526 -2.726 0.000) 2.777 11.241 ( -1.591 7.323 0.000) 7.493 11.241 ( 1.591 7.323 0.000) 7.493 11.566 ( -1.904 -4.995 0.000) 5.345 11.566 ( 1.904 -4.995 0.000) 5.345 12.396 ( -3.242 2.665 0.000) 4.196 12.396 ( 3.242 2.665 0.000) 4.196 12.611 ( -4.978 -3.621 0.000) 6.155 12.611 ( 4.978 -3.621 0.000) 6.155 13.125 ( -3.467 8.748 0.000) 9.410 13.125 ( 3.467 8.748 0.000) 9.410 13.515 ( -2.787 -11.475 0.000) 11.809 13.515 ( 2.787 -11.475 0.000) 11.809 14.246 ( -1.634 2.930 0.000) 3.355 14.246 ( 1.634 2.930 0.000) 3.355 14.394 ( -2.744 2.238 0.000) 3.541 14.394 ( 2.744 2.238 0.000) 3.541 14.871 ( -2.359 1.657 0.000) 2.883 14.871 ( 2.359 1.657 0.000) 2.883 15.243 ( -5.727 -2.631 0.000) 6.302 15.243 ( 5.727 -2.631 0.000) 6.302 16.269 ( -0.436 0.644 0.000) 0.778 16.269 ( 0.436 0.644 0.000) 0.778 16.719 ( -4.517 -2.689 0.000) 5.257 16.719 ( 4.517 -2.689 0.000) 5.257 17.484 ( -2.771 3.412 0.000) 4.395 17.484 ( 2.771 3.412 0.000) 4.395 17.662 ( -4.658 -3.489 0.000) 5.820 17.662 ( 4.658 -3.489 0.000) 5.820 18.141 ( -2.451 6.599 0.000) 7.040 18.141 ( 2.451 6.599 0.000) 7.040 18.470 ( -3.572 -8.109 0.000) 8.861 18.470 ( 3.572 -8.109 0.000) 8.861 18.802 ( -4.179 0.900 0.000) 4.275 18.802 ( 4.179 0.900 0.000) 4.275 18.883 ( -3.039 -1.965 0.000) 3.619 18.883 ( 3.039 -1.965 0.000) 3.619 19.729 ( -4.924 11.227 0.000) 12.259 19.729 ( 4.924 11.227 0.000) 12.259 20.178 ( -5.799 -11.023 0.000) 12.455 20.178 ( 5.799 -11.023 0.000) 12.455 20.737 ( -2.135 1.144 0.000) 2.422 20.737 ( 2.135 1.144 0.000) 2.422 20.894 ( -1.985 0.131 0.000) 1.989 20.894 ( 1.985 0.131 0.000) 1.989 21.552 ( -1.940 2.166 0.000) 2.908 21.552 ( 1.940 2.166 0.000) 2.908 21.901 ( -3.300 -1.016 0.000) 3.453 21.901 ( 3.300 -1.016 0.000) 3.453 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 -25.468 0.000) 25.468 1.692 ( 0.000 25.468 0.000) 25.468 1.867 ( 0.000 -29.347 0.000) 29.347 1.867 ( 0.000 29.347 0.000) 29.347 2.926 ( 0.000 -3.455 0.000) 3.455 2.926 ( 0.000 3.455 0.000) 3.455 3.032 ( 0.000 -2.891 0.000) 2.891 3.032 ( 0.000 2.891 0.000) 2.891 3.259 ( 0.000 -29.863 0.000) 29.863 3.259 ( 0.000 29.863 0.000) 29.863 3.667 ( 0.000 -0.462 0.000) 0.462 3.667 ( 0.000 0.462 0.000) 0.462 3.965 ( 0.000 -2.255 0.000) 2.255 3.965 ( 0.000 2.255 0.000) 2.255 4.386 ( 0.000 -5.145 0.000) 5.145 4.386 ( 0.000 5.145 0.000) 5.145 4.562 ( 0.000 -5.573 0.000) 5.573 4.562 ( 0.000 5.573 0.000) 5.573 4.735 ( 0.000 -2.519 0.000) 2.519 4.735 ( 0.000 2.519 0.000) 2.519 4.927 ( 0.000 -1.295 0.000) 1.295 4.927 ( 0.000 1.295 0.000) 1.295 5.418 ( 0.000 -12.625 0.000) 12.625 5.418 ( 0.000 12.625 0.000) 12.625 5.505 ( 0.000 -6.215 0.000) 6.215 5.505 ( 0.000 6.215 0.000) 6.215 5.819 ( 0.000 -8.617 0.000) 8.617 5.819 ( 0.000 8.617 0.000) 8.617 5.964 ( 0.000 -7.063 0.000) 7.063 5.964 ( 0.000 7.063 0.000) 7.063 6.129 ( 0.000 -1.313 0.000) 1.313 6.129 ( 0.000 1.313 0.000) 1.313 6.434 ( 0.000 -5.640 0.000) 5.640 6.434 ( 0.000 5.640 0.000) 5.640 6.470 ( 0.000 -3.186 0.000) 3.186 6.470 ( 0.000 3.186 0.000) 3.186 7.025 ( 0.000 -8.730 0.000) 8.730 7.025 ( 0.000 8.730 0.000) 8.730 7.155 ( 0.000 -3.312 0.000) 3.312 7.155 ( 0.000 3.312 0.000) 3.312 7.608 ( 0.000 -7.448 0.000) 7.448 7.608 ( 0.000 7.448 0.000) 7.448 7.864 ( 0.000 -0.209 0.000) 0.209 7.864 ( 0.000 0.209 0.000) 0.209 8.039 ( 0.000 -1.100 0.000) 1.100 8.039 ( 0.000 1.100 0.000) 1.100 8.329 ( 0.000 -5.427 0.000) 5.427 8.329 ( 0.000 5.427 0.000) 5.427 8.719 ( 0.000 -7.073 0.000) 7.073 8.719 ( 0.000 7.073 0.000) 7.073 9.217 ( 0.000 -1.751 0.000) 1.751 9.217 ( 0.000 1.751 0.000) 1.751 9.535 ( 0.000 -1.732 0.000) 1.732 9.535 ( 0.000 1.732 0.000) 1.732 9.801 ( 0.000 -1.945 0.000) 1.945 9.801 ( 0.000 1.945 0.000) 1.945 9.900 ( 0.000 -4.573 0.000) 4.573 9.900 ( 0.000 4.573 0.000) 4.573 10.079 ( 0.000 -2.067 0.000) 2.067 10.079 ( 0.000 2.067 0.000) 2.067 10.891 ( 0.000 -5.009 0.000) 5.009 10.891 ( 0.000 5.009 0.000) 5.009 11.030 ( 0.000 -8.932 0.000) 8.932 11.030 ( 0.000 8.932 0.000) 8.932 12.107 ( 0.000 -5.292 0.000) 5.292 12.107 ( 0.000 5.292 0.000) 5.292 12.549 ( 0.000 -0.079 0.000) 0.079 12.549 ( 0.000 0.079 0.000) 0.079 12.989 ( 0.000 -9.240 0.000) 9.240 12.989 ( 0.000 9.240 0.000) 9.240 13.893 ( 0.000 -7.721 0.000) 7.721 13.893 ( 0.000 7.721 0.000) 7.721 14.197 ( 0.000 -7.197 0.000) 7.197 14.197 ( 0.000 7.197 0.000) 7.197 14.770 ( 0.000 -2.109 0.000) 2.109 14.770 ( 0.000 2.109 0.000) 2.109 15.036 ( 0.000 -4.211 0.000) 4.211 15.036 ( 0.000 4.211 0.000) 4.211 15.753 ( 0.000 -4.182 0.000) 4.182 15.753 ( 0.000 4.182 0.000) 4.182 16.186 ( 0.000 -1.528 0.000) 1.528 16.186 ( 0.000 1.528 0.000) 1.528 16.449 ( 0.000 -4.540 0.000) 4.540 16.449 ( 0.000 4.540 0.000) 4.540 17.083 ( 0.000 -0.146 0.000) 0.146 17.083 ( 0.000 0.146 0.000) 0.146 17.398 ( 0.000 -3.798 0.000) 3.798 17.398 ( 0.000 3.798 0.000) 3.798 17.936 ( 0.000 -7.945 0.000) 7.945 17.936 ( 0.000 7.945 0.000) 7.945 18.546 ( 0.000 -7.268 0.000) 7.268 18.546 ( 0.000 7.268 0.000) 7.268 18.894 ( 0.000 -1.451 0.000) 1.451 18.894 ( 0.000 1.451 0.000) 1.451 19.046 ( 0.000 -0.719 0.000) 0.719 19.046 ( 0.000 0.719 0.000) 0.719 19.622 ( 0.000 -7.394 0.000) 7.394 19.622 ( 0.000 7.394 0.000) 7.394 20.189 ( 0.000 -5.608 0.000) 5.608 20.189 ( 0.000 5.608 0.000) 5.608 20.724 ( 0.000 -6.916 0.000) 6.916 20.724 ( 0.000 6.916 0.000) 6.916 21.226 ( 0.000 -2.173 0.000) 2.173 21.226 ( 0.000 2.173 0.000) 2.173 21.495 ( 0.000 -2.148 0.000) 2.148 21.495 ( 0.000 2.148 0.000) 2.148 22.153 ( 0.000 -3.010 0.000) 3.010 22.153 ( 0.000 3.010 0.000) 3.010 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 7.226 -22.676 0.000) 23.799 1.768 ( 7.226 22.676 0.000) 23.799 1.947 ( 8.082 -27.884 0.000) 29.032 1.947 ( 8.082 27.884 0.000) 29.032 2.958 ( 2.952 -4.114 0.000) 5.063 2.958 ( 2.952 4.114 0.000) 5.063 3.096 ( 6.273 -3.056 0.000) 6.978 3.096 ( 6.273 3.056 0.000) 6.978 3.331 ( 7.376 -24.626 0.000) 25.707 3.331 ( 7.376 24.626 0.000) 25.707 3.636 ( -2.925 -2.133 0.000) 3.620 3.636 ( -2.925 2.133 0.000) 3.620 4.043 ( 6.642 -3.789 0.000) 7.647 4.043 ( 6.642 3.789 0.000) 7.647 4.318 ( -5.695 -6.321 0.000) 8.508 4.318 ( -5.695 6.321 0.000) 8.508 4.557 ( -0.951 -6.076 0.000) 6.150 4.557 ( -0.951 6.076 0.000) 6.150 4.739 ( 0.374 -3.883 0.000) 3.901 4.739 ( 0.374 3.883 0.000) 3.901 4.882 ( -4.549 -1.208 0.000) 4.706 4.882 ( -4.549 1.208 0.000) 4.706 5.381 ( -5.627 -6.709 0.000) 8.757 5.381 ( -5.627 6.709 0.000) 8.757 5.506 ( 3.484 -10.912 0.000) 11.454 5.506 ( 3.484 10.912 0.000) 11.454 5.813 ( -0.997 -6.597 0.000) 6.672 5.813 ( -0.997 6.597 0.000) 6.672 5.976 ( -3.743 -8.383 0.000) 9.181 5.976 ( -3.743 8.383 0.000) 9.181 6.074 ( -0.286 -5.927 0.000) 5.934 6.074 ( -0.286 5.927 0.000) 5.934 6.324 ( -8.159 -3.177 0.000) 8.756 6.324 ( -8.159 3.177 0.000) 8.756 6.519 ( 1.789 -4.534 0.000) 4.874 6.519 ( 1.789 4.534 0.000) 4.874 7.040 ( 0.936 -5.106 0.000) 5.191 7.040 ( 0.936 5.106 0.000) 5.191 7.211 ( 4.013 -4.336 0.000) 5.908 7.211 ( 4.013 4.336 0.000) 5.908 7.567 ( -3.275 -7.175 0.000) 7.887 7.567 ( -3.275 7.175 0.000) 7.887 7.855 ( -0.557 -0.138 0.000) 0.574 7.855 ( -0.557 0.138 0.000) 0.574 8.054 ( 1.532 -1.599 0.000) 2.215 8.054 ( 1.532 1.599 0.000) 2.215 8.331 ( 0.055 -4.074 0.000) 4.075 8.331 ( 0.055 4.074 0.000) 4.075 8.732 ( 1.102 -6.664 0.000) 6.754 8.732 ( 1.102 6.664 0.000) 6.754 9.084 ( -10.981 -1.659 0.000) 11.106 9.084 ( -10.981 1.659 0.000) 11.106 9.523 ( 0.043 -3.200 0.000) 3.200 9.523 ( 0.043 3.200 0.000) 3.200 9.836 ( 1.363 -1.008 0.000) 1.695 9.836 ( 1.363 1.008 0.000) 1.695 9.978 ( 5.950 -4.848 0.000) 7.675 9.978 ( 5.950 4.848 0.000) 7.675 10.096 ( 3.055 -2.916 0.000) 4.224 10.096 ( 3.055 2.916 0.000) 4.224 10.949 ( 5.848 -2.606 0.000) 6.402 10.949 ( 5.848 2.606 0.000) 6.402 11.155 ( 11.226 -3.605 0.000) 11.791 11.155 ( 11.226 3.605 0.000) 11.791 12.106 ( 0.301 -4.865 0.000) 4.874 12.106 ( 0.301 4.865 0.000) 4.874 12.568 ( 1.708 -0.823 0.000) 1.896 12.568 ( 1.708 0.823 0.000) 1.896 13.025 ( 3.541 -8.566 0.000) 9.269 13.025 ( 3.541 8.566 0.000) 9.269 13.788 ( -10.033 -7.009 0.000) 12.239 13.788 ( -10.033 7.009 0.000) 12.239 14.205 ( 0.811 -5.322 0.000) 5.383 14.205 ( 0.811 5.322 0.000) 5.383 14.718 ( -4.697 -3.311 0.000) 5.747 14.718 ( -4.697 3.311 0.000) 5.747 15.015 ( -2.266 -3.512 0.000) 4.180 15.015 ( -2.266 3.512 0.000) 4.180 15.724 ( -3.052 -7.145 0.000) 7.770 15.724 ( -3.052 7.145 0.000) 7.770 16.181 ( -0.760 -2.210 0.000) 2.337 16.181 ( -0.760 2.210 0.000) 2.337 16.481 ( 3.235 -4.438 0.000) 5.492 16.481 ( 3.235 4.438 0.000) 5.492 17.119 ( 3.893 -1.682 0.000) 4.240 17.119 ( 3.893 1.682 0.000) 4.240 17.467 ( 6.056 -5.091 0.000) 7.912 17.467 ( 6.056 5.091 0.000) 7.912 17.971 ( 3.517 -7.912 0.000) 8.658 17.971 ( 3.517 7.912 0.000) 8.658 18.528 ( -2.251 -6.855 0.000) 7.215 18.528 ( -2.251 6.855 0.000) 7.215 18.851 ( -3.040 -2.874 0.000) 4.183 18.851 ( -3.040 2.874 0.000) 4.183 19.017 ( -2.892 -3.907 0.000) 4.861 19.017 ( -2.892 3.907 0.000) 4.861 19.664 ( 3.623 -6.849 0.000) 7.748 19.664 ( 3.623 6.849 0.000) 7.748 20.181 ( -0.634 -6.233 0.000) 6.265 20.181 ( -0.634 6.233 0.000) 6.265 20.727 ( 0.287 -6.528 0.000) 6.534 20.727 ( 0.287 6.528 0.000) 6.534 21.192 ( -3.587 -3.256 0.000) 4.844 21.192 ( -3.587 3.256 0.000) 4.844 21.478 ( -1.165 -2.140 0.000) 2.436 21.478 ( -1.165 2.140 0.000) 2.436 22.149 ( -0.732 -5.352 0.000) 5.402 22.149 ( -0.732 5.352 0.000) 5.402 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 10.619 -16.445 0.000) 19.576 1.939 ( 10.619 16.445 0.000) 19.576 2.162 ( 13.998 -19.224 0.000) 23.780 2.162 ( 13.998 19.224 0.000) 23.780 3.019 ( 2.693 -3.518 0.000) 4.431 3.019 ( 2.693 3.518 0.000) 4.431 3.224 ( 5.486 -5.227 0.000) 7.577 3.224 ( 5.486 5.227 0.000) 7.577 3.483 ( 4.216 -5.753 0.000) 7.133 3.483 ( 4.216 5.753 0.000) 7.133 3.620 ( 5.711 -11.835 0.000) 13.141 3.620 ( 5.711 11.835 0.000) 13.141 4.054 ( -7.637 -5.229 0.000) 9.256 4.054 ( -7.637 5.229 0.000) 9.256 4.316 ( 5.664 -9.026 0.000) 10.656 4.316 ( 5.664 9.026 0.000) 10.656 4.510 ( -3.497 -4.980 0.000) 6.085 4.510 ( -3.497 4.980 0.000) 6.085 4.745 ( 0.431 -5.071 0.000) 5.090 4.745 ( 0.431 5.071 0.000) 5.090 4.783 ( -4.588 -3.703 0.000) 5.896 4.783 ( -4.588 3.703 0.000) 5.896 5.275 ( -4.240 -9.934 0.000) 10.801 5.275 ( -4.240 9.934 0.000) 10.801 5.592 ( 2.965 -12.545 0.000) 12.891 5.592 ( 2.965 12.545 0.000) 12.891 5.753 ( -4.000 -3.489 0.000) 5.308 5.753 ( -4.000 3.489 0.000) 5.308 5.903 ( -1.093 -10.171 0.000) 10.229 5.903 ( -1.093 10.171 0.000) 10.229 6.058 ( -4.732 -9.030 0.000) 10.195 6.058 ( -4.732 9.030 0.000) 10.195 6.213 ( -1.204 -1.992 0.000) 2.328 6.213 ( -1.204 1.992 0.000) 2.328 6.511 ( -2.820 -1.879 0.000) 3.389 6.511 ( -2.820 1.879 0.000) 3.389 7.024 ( -2.926 -1.228 0.000) 3.173 7.024 ( -2.926 1.228 0.000) 3.173 7.241 ( -1.658 -4.304 0.000) 4.612 7.241 ( -1.658 4.304 0.000) 4.612 7.545 ( 2.173 -3.590 0.000) 4.197 7.545 ( 2.173 3.590 0.000) 4.197 7.856 ( 0.569 -1.320 0.000) 1.437 7.856 ( 0.569 1.320 0.000) 1.437 8.088 ( 1.748 -3.946 0.000) 4.316 8.088 ( 1.748 3.946 0.000) 4.316 8.333 ( 0.129 -2.100 0.000) 2.104 8.333 ( 0.129 2.100 0.000) 2.104 8.719 ( -4.413 -2.636 0.000) 5.140 8.719 ( -4.413 2.636 0.000) 5.140 8.906 ( -5.291 -3.577 0.000) 6.387 8.906 ( -5.291 3.577 0.000) 6.387 9.550 ( 2.554 -2.193 0.000) 3.367 9.550 ( 2.554 2.193 0.000) 3.367 9.835 ( -0.912 -3.526 0.000) 3.642 9.835 ( -0.912 3.526 0.000) 3.642 10.070 ( 4.064 -0.953 0.000) 4.174 10.070 ( 4.064 0.953 0.000) 4.174 10.203 ( 6.909 -2.014 0.000) 7.196 10.203 ( 6.909 2.014 0.000) 7.196 11.089 ( 8.029 -4.079 0.000) 9.005 11.089 ( 8.029 4.079 0.000) 9.005 11.369 ( 9.329 -4.742 0.000) 10.465 11.369 ( 9.329 4.742 0.000) 10.465 12.140 ( 3.751 -4.119 0.000) 5.571 12.140 ( 3.751 4.119 0.000) 5.571 12.602 ( 1.616 -1.527 0.000) 2.223 12.602 ( 1.616 1.527 0.000) 2.223 13.111 ( 5.005 -7.696 0.000) 9.181 13.111 ( 5.005 7.696 0.000) 9.181 13.569 ( -11.322 -5.928 0.000) 12.780 13.569 ( -11.322 5.928 0.000) 12.780 14.226 ( 1.301 -3.953 0.000) 4.162 14.226 ( 1.301 3.953 0.000) 4.162 14.619 ( -5.291 -3.786 0.000) 6.506 14.619 ( -5.291 3.786 0.000) 6.506 14.954 ( -3.791 -2.723 0.000) 4.668 14.954 ( -3.791 2.723 0.000) 4.668 15.628 ( -7.152 -9.793 0.000) 12.127 15.628 ( -7.152 9.793 0.000) 12.127 16.167 ( -0.015 -2.379 0.000) 2.379 16.167 ( -0.015 2.379 0.000) 2.379 16.566 ( 5.225 -6.399 0.000) 8.261 16.566 ( 5.225 6.399 0.000) 8.261 17.216 ( 5.816 -2.753 0.000) 6.435 17.216 ( 5.816 2.753 0.000) 6.435 17.587 ( 5.755 -4.824 0.000) 7.510 17.587 ( 5.755 4.824 0.000) 7.510 18.054 ( 4.708 -8.395 0.000) 9.625 18.054 ( 4.708 8.395 0.000) 9.625 18.455 ( -4.941 -6.408 0.000) 8.092 18.455 ( -4.941 6.408 0.000) 8.092 18.814 ( -1.198 -5.017 0.000) 5.158 18.814 ( -1.198 5.017 0.000) 5.158 18.960 ( -2.271 -4.550 0.000) 5.085 18.960 ( -2.271 4.550 0.000) 5.085 19.729 ( 2.826 -7.412 0.000) 7.932 19.729 ( 2.826 7.412 0.000) 7.932 20.170 ( -0.608 -7.569 0.000) 7.593 20.170 ( -0.608 7.569 0.000) 7.593 20.734 ( 0.389 -5.757 0.000) 5.770 20.734 ( 0.389 5.757 0.000) 5.770 21.097 ( -5.913 -4.625 0.000) 7.506 21.097 ( -5.913 4.625 0.000) 7.506 21.472 ( 0.725 -2.570 0.000) 2.670 21.472 ( 0.725 2.570 0.000) 2.670 22.112 ( -3.302 -6.151 0.000) 6.981 22.112 ( -3.302 6.151 0.000) 6.981 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 14.205 -8.636 0.000) 16.624 2.177 ( 14.205 8.636 0.000) 16.624 2.442 ( 14.021 -10.220 0.000) 17.350 2.442 ( 14.021 10.220 0.000) 17.350 3.029 ( -1.430 -7.062 0.000) 7.206 3.029 ( -1.430 7.062 0.000) 7.206 3.294 ( 3.118 -4.120 0.000) 5.167 3.294 ( 3.118 4.120 0.000) 5.167 3.484 ( -2.512 -2.669 0.000) 3.665 3.484 ( -2.512 2.669 0.000) 3.665 3.797 ( 5.045 -6.142 0.000) 7.948 3.797 ( 5.045 6.142 0.000) 7.948 3.894 ( -4.747 -5.089 0.000) 6.959 3.894 ( -4.747 5.089 0.000) 6.959 4.282 ( -6.432 -4.465 0.000) 7.830 4.282 ( -6.432 4.465 0.000) 7.830 4.509 ( -0.050 -1.416 0.000) 1.416 4.509 ( -0.050 1.416 0.000) 1.416 4.725 ( -1.736 -3.452 0.000) 3.864 4.725 ( -1.736 3.452 0.000) 3.864 4.791 ( 4.865 -8.374 0.000) 9.685 4.791 ( 4.865 8.374 0.000) 9.685 5.240 ( 0.772 -10.228 0.000) 10.257 5.240 ( 0.772 10.228 0.000) 10.257 5.571 ( -2.503 -4.209 0.000) 4.897 5.571 ( -2.503 4.209 0.000) 4.897 5.706 ( -3.528 -4.076 0.000) 5.391 5.706 ( -3.528 4.076 0.000) 5.391 5.905 ( 2.119 -4.199 0.000) 4.703 5.905 ( 2.119 4.199 0.000) 4.703 6.022 ( 1.989 -7.086 0.000) 7.360 6.022 ( 1.989 7.086 0.000) 7.360 6.189 ( -3.443 -2.338 0.000) 4.161 6.189 ( -3.443 2.338 0.000) 4.161 6.427 ( -5.002 -2.848 0.000) 5.756 6.427 ( -5.002 2.848 0.000) 5.756 6.954 ( -3.490 -1.129 0.000) 3.668 6.954 ( -3.490 1.129 0.000) 3.668 7.176 ( -4.112 -2.032 0.000) 4.586 7.176 ( -4.112 2.032 0.000) 4.586 7.635 ( 6.339 -2.968 0.000) 7.000 7.635 ( 6.339 2.968 0.000) 7.000 7.868 ( 0.605 -1.395 0.000) 1.520 7.868 ( 0.605 1.395 0.000) 1.520 8.106 ( -0.477 -7.085 0.000) 7.101 8.106 ( -0.477 7.085 0.000) 7.101 8.318 ( -2.502 -2.841 0.000) 3.785 8.318 ( -2.502 2.841 0.000) 3.785 8.606 ( -3.961 -2.848 0.000) 4.878 8.606 ( -3.961 2.848 0.000) 4.878 8.869 ( -0.744 -3.372 0.000) 3.453 8.869 ( -0.744 3.372 0.000) 3.453 9.608 ( 3.308 -1.593 0.000) 3.672 9.608 ( 3.308 1.593 0.000) 3.672 9.816 ( -1.105 -4.152 0.000) 4.296 9.816 ( -1.105 4.152 0.000) 4.296 10.138 ( 3.054 -1.343 0.000) 3.336 10.138 ( 3.054 1.343 0.000) 3.336 10.329 ( 5.949 -0.998 0.000) 6.032 10.329 ( 5.949 0.998 0.000) 6.032 11.227 ( 6.061 -4.282 0.000) 7.421 11.227 ( 6.061 4.282 0.000) 7.421 11.481 ( 2.767 -5.061 0.000) 5.767 11.481 ( 2.767 5.061 0.000) 5.767 12.246 ( 6.786 -3.570 0.000) 7.668 12.246 ( 6.786 3.570 0.000) 7.668 12.618 ( -0.179 -3.479 0.000) 3.483 12.618 ( -0.179 3.479 0.000) 3.483 13.195 ( 3.446 -8.802 0.000) 9.453 13.195 ( 3.446 8.802 0.000) 9.453 13.404 ( -5.358 -8.730 0.000) 10.243 13.404 ( -5.358 8.730 0.000) 10.243 14.249 ( 1.017 -2.812 0.000) 2.990 14.249 ( 1.017 2.812 0.000) 2.990 14.525 ( -4.417 -3.918 0.000) 5.904 14.525 ( -4.417 3.918 0.000) 5.904 14.890 ( -2.435 -3.099 0.000) 3.941 14.890 ( -2.435 3.099 0.000) 3.941 15.464 ( -9.470 -8.664 0.000) 12.835 15.464 ( -9.470 8.664 0.000) 12.835 16.193 ( 2.591 -1.576 0.000) 3.033 16.193 ( 2.591 1.576 0.000) 3.033 16.653 ( 3.306 -7.163 0.000) 7.889 16.653 ( 3.306 7.163 0.000) 7.889 17.332 ( 6.424 -1.163 0.000) 6.529 17.332 ( 6.424 1.163 0.000) 6.529 17.663 ( 1.851 -1.050 0.000) 2.128 17.663 ( 1.851 1.050 0.000) 2.128 18.143 ( 4.627 -8.530 0.000) 9.704 18.143 ( 4.627 8.530 0.000) 9.704 18.370 ( -3.366 -8.087 0.000) 8.760 18.370 ( -3.366 8.087 0.000) 8.760 18.789 ( -1.223 -4.487 0.000) 4.651 18.789 ( -1.223 4.487 0.000) 4.651 18.941 ( -0.416 -1.772 0.000) 1.820 18.941 ( -0.416 1.772 0.000) 1.820 19.776 ( 2.509 -9.103 0.000) 9.442 19.776 ( 2.509 9.103 0.000) 9.442 20.146 ( -2.273 -9.120 0.000) 9.399 20.146 ( -2.273 9.120 0.000) 9.399 20.740 ( 0.236 -4.739 0.000) 4.745 20.740 ( 0.236 4.739 0.000) 4.745 20.989 ( -4.947 -3.606 0.000) 6.122 20.989 ( -4.947 3.606 0.000) 6.122 21.502 ( 2.207 -2.726 0.000) 3.508 21.502 ( 2.207 2.726 0.000) 3.508 22.029 ( -5.029 -5.162 0.000) 7.207 22.029 ( -5.029 5.162 0.000) 7.207 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 11.363 -1.076 0.000) 11.413 2.444 ( 11.363 1.076 0.000) 11.413 2.637 ( 6.824 -7.082 0.000) 9.835 2.637 ( 6.824 7.082 0.000) 9.835 3.050 ( 4.931 -7.357 0.000) 8.857 3.050 ( 4.931 7.357 0.000) 8.857 3.298 ( -6.890 -2.289 0.000) 7.260 3.298 ( -6.890 2.289 0.000) 7.260 3.414 ( -0.089 -4.857 0.000) 4.858 3.414 ( -0.089 4.857 0.000) 4.858 3.762 ( -4.010 -1.739 0.000) 4.371 3.762 ( -4.010 1.739 0.000) 4.371 3.855 ( -2.509 -1.097 0.000) 2.738 3.855 ( -2.509 1.097 0.000) 2.738 4.231 ( -1.617 -1.858 0.000) 2.463 4.231 ( -1.617 1.858 0.000) 2.463 4.466 ( -1.296 -4.893 0.000) 5.062 4.466 ( -1.296 4.893 0.000) 5.062 4.705 ( -0.490 -3.298 0.000) 3.335 4.705 ( -0.490 3.298 0.000) 3.335 4.878 ( 3.220 -7.655 0.000) 8.305 4.878 ( 3.220 7.655 0.000) 8.305 5.288 ( 2.916 -5.224 0.000) 5.982 5.288 ( 2.916 5.224 0.000) 5.982 5.556 ( 1.060 -4.420 0.000) 4.545 5.556 ( 1.060 4.420 0.000) 4.545 5.644 ( -2.047 -1.583 0.000) 2.588 5.644 ( -2.047 1.583 0.000) 2.588 5.957 ( 1.821 -2.423 0.000) 3.031 5.957 ( 1.821 2.423 0.000) 3.031 6.046 ( -2.893 -7.139 0.000) 7.703 6.046 ( -2.893 7.139 0.000) 7.703 6.114 ( 0.079 -0.464 0.000) 0.470 6.114 ( 0.079 0.464 0.000) 0.470 6.347 ( -3.451 -4.687 0.000) 5.820 6.347 ( -3.451 4.687 0.000) 5.820 6.910 ( -1.135 -1.151 0.000) 1.617 6.910 ( -1.135 1.151 0.000) 1.617 7.107 ( -2.800 -1.452 0.000) 3.154 7.107 ( -2.800 1.452 0.000) 3.154 7.757 ( 5.646 -4.098 0.000) 6.976 7.757 ( 5.646 4.098 0.000) 6.976 7.888 ( 1.752 -0.507 0.000) 1.824 7.888 ( 1.752 0.507 0.000) 1.824 8.053 ( -4.325 -6.827 0.000) 8.082 8.053 ( -4.325 6.827 0.000) 8.082 8.240 ( -4.728 -2.397 0.000) 5.301 8.240 ( -4.728 2.397 0.000) 5.301 8.613 ( 3.490 -5.399 0.000) 6.429 8.613 ( 3.490 5.399 0.000) 6.429 8.842 ( -2.240 -3.063 0.000) 3.795 8.842 ( -2.241 3.063 0.000) 3.795 9.673 ( 3.427 -2.167 0.000) 4.055 9.673 ( 3.427 2.167 0.000) 4.055 9.788 ( -2.017 -3.799 0.000) 4.302 9.788 ( -2.017 3.799 0.000) 4.302 10.184 ( 1.709 -1.377 0.000) 2.194 10.184 ( 1.709 1.377 0.000) 2.194 10.419 ( 3.366 -0.664 0.000) 3.430 10.419 ( 3.366 0.664 0.000) 3.430 11.312 ( 2.816 -3.025 0.000) 4.133 11.312 ( 2.816 3.025 0.000) 4.133 11.499 ( -0.211 -3.388 0.000) 3.394 11.499 ( -0.211 3.388 0.000) 3.394 12.369 ( 5.488 -3.085 0.000) 6.296 12.369 ( 5.488 3.085 0.000) 6.296 12.595 ( -1.986 -4.387 0.000) 4.816 12.595 ( -1.986 4.387 0.000) 4.816 13.250 ( 2.904 -10.808 0.000) 11.191 13.250 ( 2.904 10.808 0.000) 11.191 13.349 ( -1.703 -10.668 0.000) 10.803 13.349 ( -1.703 10.668 0.000) 10.803 14.265 ( 0.729 -1.591 0.000) 1.750 14.265 ( 0.729 1.591 0.000) 1.750 14.451 ( -3.268 -2.485 0.000) 4.106 14.451 ( -3.268 2.485 0.000) 4.106 14.874 ( 0.685 -2.468 0.000) 2.561 14.874 ( 0.685 2.468 0.000) 2.561 15.295 ( -7.473 -5.723 0.000) 9.413 15.295 ( -7.473 5.723 0.000) 9.413 16.248 ( 2.617 -0.542 0.000) 2.673 16.248 ( 2.617 0.542 0.000) 2.673 16.687 ( 0.573 -4.636 0.000) 4.671 16.687 ( 0.573 4.636 0.000) 4.671 17.458 ( 6.553 -3.083 0.000) 7.242 17.458 ( 6.553 3.083 0.000) 7.242 17.654 ( -2.561 -4.520 0.000) 5.195 17.654 ( -2.561 4.520 0.000) 5.195 18.215 ( 2.321 -7.697 0.000) 8.040 18.215 ( 2.321 7.697 0.000) 8.040 18.341 ( 0.317 -9.190 0.000) 9.195 18.341 ( 0.317 9.190 0.000) 9.195 18.786 ( 1.341 -3.577 0.000) 3.820 18.786 ( 1.341 3.577 0.000) 3.820 18.914 ( -2.732 -0.916 0.000) 2.882 18.914 ( -2.732 0.916 0.000) 2.882 19.838 ( 4.113 -9.758 0.000) 10.589 19.838 ( 4.113 9.758 0.000) 10.589 20.077 ( -4.762 -10.246 0.000) 11.299 20.077 ( -4.762 10.246 0.000) 11.299 20.743 ( 0.117 -2.860 0.000) 2.862 20.743 ( 0.117 2.860 0.000) 2.862 20.919 ( -2.345 -1.651 0.000) 2.868 20.919 ( -2.345 1.651 0.000) 2.868 21.548 ( 2.379 -1.861 0.000) 3.021 21.548 ( 2.379 1.861 0.000) 3.021 21.936 ( -4.275 -3.258 0.000) 5.375 21.936 ( -4.275 3.258 0.000) 5.375 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 -0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 -0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 3.081 ( -0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 -0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.450 ( -0.000 -0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.652 ( -0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.601 ( -2.986 -3.730 0.000) 4.778 5.601 ( 2.986 -3.730 0.000) 4.778 5.601 ( -2.986 3.730 0.000) 4.778 5.601 ( 2.986 3.730 0.000) 4.778 5.979 ( -0.000 -0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 -0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 -0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 -0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 -0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.807 ( -0.000 -0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 -0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.743 ( -0.000 -0.000 0.000) 0.000 9.743 ( -0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 -0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 11.338 ( 0.000 -0.000 0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 -0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 12.430 ( -0.000 -0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.567 ( 0.000 -0.000 0.000) 0.000 12.567 ( 0.000 0.000 0.000) 0.000 13.304 ( -0.000 -0.000 0.000) 0.000 13.304 ( -0.000 0.000 0.000) 0.000 13.311 ( -0.000 -0.000 0.000) 0.000 13.311 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 -0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.415 ( 0.000 0.000 0.000) 0.000 14.415 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.591 ( -0.000 -0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 18.233 ( 0.000 -0.000 0.000) 0.000 18.233 ( 0.000 0.000 0.000) 0.000 18.352 ( -0.000 0.000 0.000) 0.000 18.352 ( 0.000 0.000 0.000) 0.000 18.839 ( -0.000 -0.000 0.000) 0.000 18.839 ( 0.000 0.000 0.000) 0.000 18.847 ( -0.000 -0.000 0.000) 0.000 18.847 ( 0.000 0.000 0.000) 0.000 19.903 ( -0.000 0.000 0.000) 0.000 19.903 ( 0.000 0.000 0.000) 0.000 20.004 ( 0.000 -0.000 0.000) 0.000 20.004 ( 0.000 -0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 21.575 ( 0.000 0.000 0.000) 0.000 21.575 ( 0.000 0.000 0.000) 0.000 21.890 ( 0.000 -0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 0.000 31.507) 31.507 0.708 ( 0.000 0.000 34.642) 34.642 1.269 ( 0.000 0.000 61.239) 61.239 2.369 ( 0.000 0.000 -21.154) 21.154 2.550 ( 0.000 0.000 -20.899) 20.899 2.737 ( 0.000 0.000 15.909) 15.909 2.905 ( 0.000 0.000 3.040) 3.040 3.097 ( 0.000 0.000 3.477) 3.477 3.598 ( 0.000 0.000 13.462) 13.462 3.697 ( 0.000 0.000 -0.698) 0.698 3.773 ( 0.000 0.000 -0.140) 0.140 3.846 ( 0.000 0.000 0.331) 0.331 4.021 ( 0.000 0.000 0.468) 0.468 4.089 ( 0.000 0.000 -12.821) 12.821 4.291 ( 0.000 0.000 -14.104) 14.104 4.395 ( 0.000 0.000 5.772) 5.772 4.420 ( 0.000 0.000 -3.945) 3.945 4.589 ( 0.000 0.000 -1.600) 1.600 4.764 ( 0.000 0.000 2.134) 2.134 4.923 ( 0.000 0.000 -0.774) 0.774 4.944 ( 0.000 0.000 5.021) 5.021 4.996 ( 0.000 0.000 5.461) 5.461 5.013 ( 0.000 0.000 -2.098) 2.098 5.247 ( 0.000 0.000 -3.769) 3.769 5.447 ( 0.000 0.000 -8.896) 8.896 5.457 ( 0.000 0.000 0.221) 0.221 5.566 ( 0.000 0.000 -6.021) 6.021 5.742 ( 0.000 0.000 -6.915) 6.915 5.794 ( 0.000 0.000 0.205) 0.205 5.931 ( 0.000 0.000 2.497) 2.497 6.100 ( 0.000 0.000 -8.058) 8.058 6.271 ( 0.000 0.000 -5.163) 5.163 6.387 ( 0.000 0.000 -4.296) 4.296 6.476 ( 0.000 0.000 2.922) 2.922 6.496 ( 0.000 0.000 3.928) 3.928 6.527 ( 0.000 0.000 -2.861) 2.861 6.676 ( 0.000 0.000 5.667) 5.667 6.924 ( 0.000 0.000 3.239) 3.239 7.335 ( 0.000 0.000 -0.581) 0.581 7.408 ( 0.000 0.000 8.184) 8.184 7.487 ( 0.000 0.000 -1.745) 1.745 7.726 ( 0.000 0.000 0.255) 0.255 8.007 ( 0.000 0.000 1.581) 1.581 8.054 ( 0.000 0.000 4.203) 4.203 8.184 ( 0.000 0.000 -0.552) 0.552 8.197 ( 0.000 0.000 8.125) 8.125 8.331 ( 0.000 0.000 -1.900) 1.900 8.624 ( 0.000 0.000 -0.343) 0.343 8.826 ( 0.000 0.000 -3.587) 3.587 8.866 ( 0.000 0.000 -2.442) 2.442 9.094 ( 0.000 0.000 1.457) 1.457 9.181 ( 0.000 0.000 1.292) 1.292 9.448 ( 0.000 0.000 1.920) 1.920 9.589 ( 0.000 0.000 4.143) 4.143 9.654 ( 0.000 0.000 -0.271) 0.271 9.846 ( 0.000 0.000 -2.462) 2.462 9.895 ( 0.000 0.000 0.309) 0.309 9.902 ( 0.000 0.000 0.654) 0.654 10.077 ( 0.000 0.000 -2.544) 2.544 10.127 ( 0.000 0.000 -4.873) 4.873 10.468 ( 0.000 0.000 1.489) 1.489 10.582 ( 0.000 0.000 -1.098) 1.098 11.125 ( 0.000 0.000 2.503) 2.503 11.406 ( 0.000 0.000 -4.128) 4.128 12.323 ( 0.000 0.000 5.685) 5.685 12.435 ( 0.000 0.000 0.407) 0.407 12.509 ( 0.000 0.000 -0.747) 0.747 12.569 ( 0.000 0.000 0.076) 0.076 13.283 ( 0.000 0.000 -2.084) 2.084 13.301 ( 0.000 0.000 -2.213) 2.213 13.490 ( 0.000 0.000 1.070) 1.070 13.651 ( 0.000 0.000 -3.546) 3.546 14.248 ( 0.000 0.000 0.637) 0.637 14.311 ( 0.000 0.000 -2.818) 2.818 14.589 ( 0.000 0.000 10.132) 10.132 14.775 ( 0.000 0.000 1.021) 1.021 14.804 ( 0.000 0.000 -0.661) 0.661 15.093 ( 0.000 0.000 -2.578) 2.578 15.626 ( 0.000 0.000 2.962) 2.962 15.858 ( 0.000 0.000 -2.645) 2.645 16.183 ( 0.000 0.000 -1.783) 1.783 16.275 ( 0.000 0.000 -5.910) 5.910 16.714 ( 0.000 0.000 5.689) 5.689 16.793 ( 0.000 0.000 -0.635) 0.635 16.863 ( 0.000 0.000 0.399) 0.399 16.949 ( 0.000 0.000 0.832) 0.832 17.710 ( 0.000 0.000 0.409) 0.409 17.730 ( 0.000 0.000 -0.560) 0.560 17.736 ( 0.000 0.000 3.378) 3.378 18.135 ( 0.000 0.000 -6.118) 6.118 18.336 ( 0.000 0.000 2.301) 2.301 18.343 ( 0.000 0.000 1.210) 1.210 18.747 ( 0.000 0.000 -0.248) 0.248 18.897 ( 0.000 0.000 -4.447) 4.447 18.956 ( 0.000 0.000 1.535) 1.535 19.025 ( 0.000 0.000 0.300) 0.300 19.335 ( 0.000 0.000 0.437) 0.437 19.381 ( 0.000 0.000 -0.683) 0.683 19.994 ( 0.000 0.000 3.094) 3.094 20.231 ( 0.000 0.000 -2.172) 2.172 20.331 ( 0.000 0.000 9.021) 9.021 20.854 ( 0.000 0.000 0.009) 0.009 21.039 ( 0.000 0.000 -2.755) 2.755 21.076 ( 0.000 0.000 -6.695) 6.695 21.587 ( 0.000 0.000 2.175) 2.175 21.709 ( 0.000 0.000 -1.051) 1.051 22.318 ( 0.000 0.000 0.216) 0.216 22.339 ( 0.000 0.000 -0.320) 0.320 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 24.497 0.000 21.112) 32.340 1.023 ( 23.387 0.000 26.340) 35.225 1.711 ( 41.910 0.000 40.914) 58.570 2.466 ( 8.994 0.000 -21.419) 23.231 2.609 ( 5.811 0.000 -17.235) 18.188 2.745 ( 1.275 0.000 14.061) 14.118 2.992 ( 8.545 0.000 2.112) 8.802 3.132 ( 4.043 0.000 3.883) 5.606 3.628 ( -3.148 0.000 2.968) 4.327 3.635 ( -1.577 0.000 9.609) 9.738 3.744 ( -1.379 0.000 0.957) 1.678 3.870 ( 1.363 0.000 -2.290) 2.665 3.968 ( -2.466 0.000 3.102) 3.963 4.069 ( -2.617 0.000 -13.144) 13.402 4.262 ( -2.770 0.000 -6.800) 7.342 4.349 ( -3.795 0.000 1.983) 4.282 4.442 ( 2.284 0.000 -2.359) 3.284 4.559 ( -1.805 0.000 -4.379) 4.736 4.707 ( -7.355 0.000 -0.608) 7.380 4.856 ( -7.456 0.000 3.461) 8.220 4.907 ( -4.426 0.000 -0.008) 4.426 4.990 ( 1.485 0.000 1.633) 2.207 5.055 ( 2.496 0.000 -0.639) 2.576 5.217 ( -1.565 0.000 -3.705) 4.022 5.389 ( -2.379 0.000 5.995) 6.449 5.481 ( -0.505 0.000 -10.980) 10.992 5.538 ( -2.007 0.000 -5.290) 5.658 5.650 ( -4.745 0.000 -5.142) 6.996 5.836 ( 3.137 0.000 5.012) 5.913 6.056 ( 2.320 0.000 -5.813) 6.259 6.123 ( 1.997 0.000 -5.451) 5.805 6.259 ( 0.016 0.000 -4.317) 4.317 6.439 ( 2.266 0.000 -2.185) 3.148 6.450 ( -1.026 0.000 4.247) 4.369 6.515 ( -0.250 0.000 -3.529) 3.538 6.525 ( -0.972 0.000 1.498) 1.786 6.754 ( 3.211 0.000 -0.712) 3.289 6.861 ( -2.388 0.000 -2.224) 3.263 7.241 ( -3.708 0.000 6.181) 7.208 7.471 ( 5.980 0.000 6.978) 9.190 7.586 ( 1.426 0.000 -2.605) 2.970 7.730 ( -0.059 0.000 -1.278) 1.279 7.953 ( -8.268 0.000 2.621) 8.674 8.005 ( -3.252 0.000 2.605) 4.167 8.047 ( -5.203 0.000 6.136) 8.045 8.153 ( -2.113 0.000 1.475) 2.577 8.355 ( -0.686 0.000 5.634) 5.675 8.649 ( 6.421 0.000 -1.270) 6.545 8.725 ( -7.050 0.000 -2.401) 7.447 8.810 ( -5.353 0.000 -1.099) 5.464 9.114 ( 0.694 0.000 1.605) 1.748 9.214 ( 0.063 0.000 1.664) 1.665 9.480 ( 1.638 0.000 -1.671) 2.340 9.568 ( -0.923 0.000 1.561) 1.813 9.682 ( -1.110 0.000 -0.647) 1.285 9.732 ( -5.206 0.000 -1.159) 5.334 9.938 ( 3.346 0.000 0.003) 3.346 9.964 ( 1.853 0.000 0.449) 1.906 10.091 ( 6.794 0.000 -3.788) 7.779 10.232 ( 6.550 0.000 -4.443) 7.914 10.606 ( 11.981 0.000 0.500) 11.992 10.656 ( 7.154 0.000 -0.306) 7.160 11.240 ( 8.852 0.000 -2.178) 9.116 11.448 ( 4.011 0.000 -5.282) 6.633 12.329 ( 0.216 0.000 5.467) 5.471 12.430 ( -1.822 0.000 4.419) 4.780 12.479 ( -5.306 0.000 6.962) 8.754 12.564 ( 3.317 0.000 0.195) 3.323 12.799 ( -14.533 0.000 14.825) 20.760 13.396 ( -5.758 0.000 -5.006) 7.630 13.542 ( 1.923 0.000 -1.562) 2.477 13.750 ( 7.500 0.000 -8.209) 11.119 14.181 ( -6.744 0.000 5.092) 8.450 14.250 ( -0.116 0.000 -0.114) 0.163 14.468 ( -3.728 0.000 6.856) 7.804 14.730 ( -3.874 0.000 -0.807) 3.957 15.018 ( 5.413 0.000 -3.414) 6.400 15.044 ( -2.772 0.000 -1.317) 3.069 15.486 ( -12.402 0.000 5.819) 13.700 15.871 ( 4.427 0.000 -0.798) 4.498 16.165 ( -2.199 0.000 -2.306) 3.186 16.175 ( -5.095 0.000 -7.182) 8.805 16.664 ( -4.805 0.000 8.631) 9.879 16.822 ( 9.019 0.000 2.704) 9.416 16.949 ( 1.135 0.000 -0.424) 1.212 17.123 ( 8.925 0.000 -10.941) 14.119 17.604 ( -4.404 0.000 4.879) 6.572 17.704 ( -1.820 0.000 4.433) 4.792 17.745 ( -1.868 0.000 1.139) 2.187 18.171 ( 4.914 0.000 -5.984) 7.743 18.368 ( 3.422 0.000 1.068) 3.584 18.425 ( 6.490 0.000 1.715) 6.712 18.744 ( -0.426 0.000 -0.383) 0.573 18.885 ( -1.169 0.000 -4.290) 4.446 19.052 ( 2.004 0.000 1.599) 2.564 19.324 ( 0.819 0.000 -1.497) 1.706 19.374 ( -0.567 0.000 -0.320) 0.651 19.482 ( 23.718 0.000 -24.863) 34.361 20.015 ( 4.046 0.000 -0.172) 4.049 20.211 ( -1.479 0.000 -1.099) 1.843 20.395 ( 5.929 0.000 5.788) 8.286 20.829 ( -2.273 0.000 3.174) 3.904 20.969 ( -5.603 0.000 -3.272) 6.489 21.118 ( 2.467 0.000 -8.449) 8.802 21.589 ( -0.067 0.000 1.954) 1.956 21.699 ( -1.332 0.000 -0.702) 1.506 22.035 ( -13.753 0.000 14.169) 19.746 22.402 ( -2.401 0.000 -5.441) 5.947 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 26.652 0.000 13.127) 29.709 1.500 ( 27.012 0.000 17.369) 32.114 2.553 ( 29.246 0.000 5.845) 29.825 2.669 ( 11.162 0.000 -17.398) 20.671 2.762 ( 20.731 0.000 9.505) 22.806 2.793 ( 4.408 0.000 3.106) 5.392 3.198 ( 10.551 0.000 1.877) 10.717 3.248 ( 8.844 0.000 2.010) 9.070 3.414 ( -13.677 0.000 -1.064) 13.718 3.688 ( 1.054 0.000 8.902) 8.964 3.716 ( -1.668 0.000 2.311) 2.850 3.870 ( -2.338 0.000 -7.358) 7.720 3.938 ( -1.605 0.000 -0.337) 1.640 3.990 ( -4.648 0.000 -6.398) 7.908 4.201 ( -6.190 0.000 -1.231) 6.311 4.265 ( -1.051 0.000 -2.396) 2.617 4.440 ( -14.670 0.000 4.223) 15.266 4.496 ( 1.530 0.000 2.633) 3.046 4.609 ( 3.222 0.000 -4.823) 5.800 4.675 ( -8.912 0.000 -4.709) 10.080 4.840 ( -4.428 0.000 -2.609) 5.139 4.992 ( 0.246 0.000 4.535) 4.541 5.085 ( -0.140 0.000 -6.472) 6.474 5.196 ( -0.277 0.000 2.657) 2.672 5.372 ( -1.068 0.000 0.205) 1.088 5.456 ( 2.284 0.000 -5.610) 6.057 5.521 ( -1.972 0.000 -0.217) 1.984 5.600 ( -0.981 0.000 -3.378) 3.518 5.855 ( -2.479 0.000 2.339) 3.409 5.986 ( -2.837 0.000 2.424) 3.731 6.224 ( 1.574 0.000 0.138) 1.580 6.266 ( 0.437 0.000 -5.279) 5.297 6.361 ( -2.766 0.000 3.251) 4.269 6.408 ( -6.596 0.000 1.211) 6.707 6.503 ( -0.520 0.000 2.936) 2.981 6.537 ( 1.132 0.000 -6.001) 6.107 6.739 ( -0.517 0.000 -7.122) 7.141 6.899 ( 2.688 0.000 -4.450) 5.199 7.198 ( -1.649 0.000 5.073) 5.335 7.487 ( -9.888 0.000 2.745) 10.262 7.616 ( 8.586 0.000 4.055) 9.496 7.713 ( -1.166 0.000 -0.393) 1.230 7.833 ( -3.756 0.000 3.418) 5.078 7.895 ( -2.773 0.000 3.788) 4.694 8.064 ( 1.109 0.000 0.806) 1.371 8.145 ( 0.426 0.000 2.322) 2.360 8.327 ( -2.031 0.000 2.634) 3.326 8.606 ( -5.960 0.000 -3.103) 6.719 8.700 ( -5.453 0.000 1.862) 5.762 8.753 ( 2.810 0.000 -2.035) 3.470 9.104 ( -1.262 0.000 -0.395) 1.322 9.164 ( -5.050 0.000 0.514) 5.076 9.477 ( -1.055 0.000 -1.270) 1.651 9.552 ( -1.108 0.000 0.908) 1.433 9.623 ( -1.776 0.000 -2.868) 3.373 9.670 ( -3.300 0.000 -0.780) 3.391 10.011 ( 5.441 0.000 2.134) 5.845 10.066 ( 6.684 0.000 -0.181) 6.686 10.243 ( 7.968 0.000 -3.838) 8.844 10.354 ( 6.296 0.000 -2.040) 6.618 10.808 ( 8.602 0.000 1.071) 8.669 10.857 ( 12.298 0.000 0.221) 12.300 11.398 ( 7.470 0.000 -1.838) 7.693 11.541 ( 5.246 0.000 -6.154) 8.086 12.291 ( -3.258 0.000 13.221) 13.617 12.381 ( 1.010 0.000 8.251) 8.313 12.488 ( 3.593 0.000 1.231) 3.798 12.607 ( -1.497 0.000 0.118) 1.501 12.721 ( 4.322 0.000 2.566) 5.026 13.236 ( -10.076 0.000 -4.830) 11.174 13.580 ( 2.832 0.000 1.531) 3.219 13.869 ( 4.611 0.000 -6.510) 7.977 14.110 ( -1.152 0.000 3.549) 3.731 14.235 ( -1.826 0.000 -1.078) 2.120 14.400 ( -3.784 0.000 3.876) 5.417 14.643 ( -4.806 0.000 -2.232) 5.299 14.932 ( -5.874 0.000 3.262) 6.719 15.097 ( 1.463 0.000 -1.210) 1.899 15.255 ( -11.026 0.000 4.712) 11.990 15.853 ( -9.643 0.000 -10.568) 14.306 16.089 ( 3.205 0.000 0.315) 3.220 16.237 ( 4.714 0.000 -3.734) 6.013 16.572 ( -4.308 0.000 10.224) 11.094 16.972 ( 1.193 0.000 -2.534) 2.800 17.021 ( 10.677 0.000 -0.625) 10.696 17.243 ( 5.169 0.000 -8.063) 9.577 17.551 ( -1.062 0.000 4.551) 4.673 17.709 ( 2.105 0.000 4.142) 4.647 17.717 ( 0.128 0.000 5.612) 5.614 18.245 ( 1.676 0.000 -3.867) 4.215 18.451 ( 4.690 0.000 -0.362) 4.704 18.563 ( 7.344 0.000 0.384) 7.354 18.723 ( -1.970 0.000 -0.620) 2.065 18.859 ( -1.133 0.000 -3.063) 3.266 19.038 ( -4.009 0.000 3.922) 5.609 19.325 ( 0.291 0.000 -0.113) 0.312 19.361 ( -0.491 0.000 0.335) 0.594 19.676 ( -0.235 0.000 -18.400) 18.402 20.104 ( 3.734 0.000 3.881) 5.386 20.247 ( 6.173 0.000 -4.829) 7.837 20.520 ( 6.321 0.000 0.714) 6.361 20.772 ( -3.808 0.000 5.144) 6.400 20.864 ( -4.526 0.000 -2.646) 5.243 21.144 ( -0.002 0.000 -9.481) 9.481 21.564 ( -3.039 0.000 3.769) 4.841 21.660 ( -2.163 0.000 1.003) 2.385 21.871 ( -4.273 0.000 9.546) 10.458 22.305 ( -6.858 0.000 -5.140) 8.570 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 21.574 0.000 9.226) 23.463 2.027 ( 27.105 0.000 8.483) 28.402 2.618 ( -7.561 0.000 0.755) 7.599 2.813 ( 6.315 0.000 -6.742) 9.237 2.914 ( 9.107 0.000 -5.463) 10.620 3.157 ( -11.150 0.000 -5.220) 12.311 3.289 ( 1.822 0.000 1.294) 2.235 3.445 ( 6.636 0.000 1.435) 6.789 3.481 ( 24.523 0.000 8.107) 25.828 3.639 ( -2.537 0.000 3.219) 4.099 3.694 ( 0.364 0.000 1.538) 1.580 3.787 ( -4.196 0.000 -5.570) 6.973 3.860 ( -5.669 0.000 -3.947) 6.908 3.943 ( -1.063 0.000 -0.050) 1.065 4.059 ( -6.310 0.000 0.634) 6.342 4.186 ( -7.092 0.000 8.108) 10.772 4.288 ( -0.023 0.000 -6.415) 6.415 4.502 ( -5.915 0.000 -1.901) 6.213 4.519 ( 1.228 0.000 -1.047) 1.613 4.745 ( 4.029 0.000 -0.244) 4.036 4.769 ( 1.683 0.000 0.680) 1.815 5.003 ( 0.152 0.000 5.294) 5.296 5.081 ( 1.732 0.000 -8.237) 8.417 5.233 ( 4.147 0.000 1.940) 4.578 5.360 ( -0.315 0.000 -0.011) 0.315 5.463 ( -2.955 0.000 0.165) 2.960 5.518 ( 2.102 0.000 -0.342) 2.129 5.613 ( 3.048 0.000 0.437) 3.079 5.798 ( -2.525 0.000 3.845) 4.600 5.894 ( -7.607 0.000 6.025) 9.704 6.148 ( -5.683 0.000 -0.546) 5.710 6.261 ( -1.609 0.000 -5.286) 5.525 6.345 ( 1.089 0.000 0.810) 1.357 6.395 ( 2.647 0.000 0.886) 2.791 6.469 ( -3.315 0.000 1.040) 3.474 6.498 ( -5.458 0.000 -1.302) 5.611 6.756 ( 2.247 0.000 -9.511) 9.772 6.955 ( 3.640 0.000 -4.837) 6.053 7.167 ( -1.521 0.000 1.321) 2.015 7.281 ( -10.587 0.000 1.575) 10.703 7.701 ( -0.159 0.000 1.368) 1.378 7.748 ( 1.236 0.000 2.360) 2.664 7.820 ( 5.846 0.000 3.816) 6.981 7.901 ( 2.135 0.000 1.532) 2.627 8.054 ( -1.136 0.000 3.987) 4.146 8.163 ( 0.997 0.000 1.887) 2.134 8.281 ( -2.592 0.000 1.477) 2.983 8.482 ( -6.721 0.000 -3.033) 7.373 8.598 ( -5.714 0.000 1.489) 5.905 8.738 ( -4.316 0.000 -2.410) 4.943 9.058 ( -4.395 0.000 0.271) 4.403 9.081 ( -1.547 0.000 -1.740) 2.329 9.469 ( 0.148 0.000 -0.687) 0.702 9.523 ( -1.141 0.000 0.061) 1.142 9.604 ( -3.260 0.000 -1.849) 3.748 9.626 ( 1.067 0.000 -2.940) 3.128 10.122 ( 5.538 0.000 1.648) 5.778 10.180 ( 4.869 0.000 0.555) 4.900 10.380 ( 6.316 0.000 -3.152) 7.059 10.463 ( 4.817 0.000 -1.052) 4.930 10.956 ( 6.690 0.000 2.452) 7.125 11.044 ( 6.847 0.000 1.143) 6.941 11.520 ( 5.321 0.000 -0.788) 5.379 11.628 ( 3.466 0.000 -4.949) 6.043 12.272 ( 1.097 0.000 10.338) 10.396 12.424 ( 2.809 0.000 4.249) 5.093 12.537 ( -1.463 0.000 -0.271) 1.487 12.624 ( 7.368 0.000 1.782) 7.580 12.838 ( 6.209 0.000 -1.408) 6.367 13.040 ( -9.995 0.000 -4.015) 10.771 13.659 ( 5.422 0.000 3.617) 6.518 13.914 ( 0.386 0.000 -1.213) 1.273 14.127 ( 2.154 0.000 -0.455) 2.201 14.180 ( -3.295 0.000 -0.082) 3.296 14.324 ( -4.165 0.000 3.052) 5.163 14.553 ( -4.852 0.000 -2.292) 5.366 14.839 ( -3.223 0.000 3.967) 5.111 15.048 ( -7.769 0.000 0.950) 7.826 15.134 ( 0.023 0.000 1.004) 1.004 15.625 ( -12.388 0.000 -11.053) 16.602 16.179 ( 4.688 0.000 1.160) 4.830 16.311 ( 2.014 0.000 -0.483) 2.071 16.534 ( 1.290 0.000 6.474) 6.602 16.960 ( -2.709 0.000 -4.567) 5.310 17.211 ( 8.635 0.000 -4.078) 9.550 17.345 ( 5.680 0.000 -5.239) 7.727 17.575 ( 3.617 0.000 5.897) 6.918 17.737 ( 2.716 0.000 4.186) 4.990 17.789 ( 4.719 0.000 6.457) 7.998 18.220 ( -4.269 0.000 -2.715) 5.060 18.531 ( 3.333 0.000 -1.739) 3.760 18.658 ( 0.060 0.000 -2.362) 2.363 18.691 ( 1.098 0.000 3.657) 3.818 18.864 ( 1.850 0.000 -1.128) 2.167 18.934 ( -5.091 0.000 3.278) 6.055 19.327 ( -1.398 0.000 -1.570) 2.102 19.367 ( 1.350 0.000 0.824) 1.581 19.561 ( -9.217 0.000 -10.406) 13.902 20.191 ( 5.154 0.000 2.571) 5.760 20.391 ( 7.864 0.000 -3.756) 8.715 20.611 ( 2.332 0.000 0.083) 2.333 20.698 ( -2.667 0.000 -0.182) 2.673 20.805 ( -1.795 0.000 1.684) 2.461 21.113 ( -3.368 0.000 -8.064) 8.739 21.497 ( -2.703 0.000 6.414) 6.961 21.622 ( -2.110 0.000 1.168) 2.412 21.832 ( -0.472 0.000 3.664) 3.695 22.164 ( -7.531 0.000 -4.409) 8.727 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 10.272 0.000 4.919) 11.389 2.420 ( -7.884 0.000 3.696) 8.707 2.510 ( 20.605 0.000 2.937) 20.813 2.911 ( 2.591 0.000 -5.943) 6.483 3.031 ( -0.185 0.000 -0.681) 0.705 3.086 ( 6.195 0.000 -4.655) 7.749 3.262 ( -5.464 0.000 -2.482) 6.002 3.364 ( -3.040 0.000 -0.225) 3.048 3.510 ( -6.655 0.000 2.909) 7.263 3.590 ( -7.970 0.000 2.428) 8.332 3.669 ( -4.741 0.000 1.984) 5.139 3.721 ( -7.741 0.000 -3.828) 8.636 3.854 ( 5.224 0.000 -3.646) 6.371 3.947 ( -1.257 0.000 -1.296) 1.805 4.051 ( 2.398 0.000 -2.793) 3.682 4.221 ( 4.637 0.000 5.451) 7.156 4.258 ( 0.659 0.000 -6.433) 6.467 4.367 ( -7.208 0.000 -2.658) 7.683 4.668 ( 9.122 0.000 1.701) 9.280 4.799 ( 7.389 0.000 2.949) 7.956 4.823 ( -0.284 0.000 -0.616) 0.679 5.014 ( 0.138 0.000 8.629) 8.631 5.188 ( 9.354 0.000 -1.873) 9.540 5.346 ( 1.925 0.000 -1.775) 2.619 5.361 ( 5.781 0.000 4.189) 7.139 5.426 ( -0.507 0.000 2.654) 2.702 5.552 ( 2.542 0.000 -2.271) 3.409 5.661 ( -2.799 0.000 6.378) 6.965 5.757 ( -0.281 0.000 4.404) 4.413 5.770 ( -2.816 0.000 2.785) 3.961 6.077 ( -1.579 0.000 -3.032) 3.419 6.179 ( -7.505 0.000 -3.841) 8.430 6.333 ( -7.361 0.000 0.836) 7.408 6.367 ( -5.925 0.000 0.428) 5.940 6.399 ( 2.496 0.000 0.342) 2.520 6.452 ( 0.819 0.000 -0.532) 0.976 6.827 ( 5.082 0.000 -7.817) 9.323 7.038 ( 4.623 0.000 -3.876) 6.033 7.090 ( -8.244 0.000 -1.595) 8.397 7.152 ( -1.449 0.000 -1.337) 1.972 7.695 ( -0.496 0.000 2.389) 2.440 7.730 ( -1.532 0.000 2.522) 2.951 7.932 ( 2.680 0.000 3.066) 4.072 7.969 ( 4.918 0.000 4.092) 6.398 8.067 ( 2.617 0.000 1.351) 2.945 8.149 ( -1.660 0.000 1.700) 2.376 8.274 ( 2.401 0.000 1.375) 2.767 8.377 ( -3.368 0.000 -3.046) 4.541 8.477 ( -6.869 0.000 0.602) 6.895 8.602 ( -9.202 0.000 -2.426) 9.516 9.010 ( -0.719 0.000 0.103) 0.727 9.050 ( -1.719 0.000 -1.410) 2.223 9.464 ( -0.108 0.000 -0.812) 0.819 9.525 ( -1.434 0.000 -0.651) 1.575 9.564 ( 1.255 0.000 -2.098) 2.445 9.639 ( -0.240 0.000 -3.401) 3.409 10.208 ( 3.426 0.000 0.939) 3.552 10.244 ( 1.813 0.000 0.902) 2.025 10.480 ( 4.124 0.000 -2.005) 4.586 10.527 ( 1.848 0.000 -0.970) 2.087 11.060 ( 4.210 0.000 3.067) 5.208 11.121 ( 1.589 0.000 2.373) 2.856 11.602 ( 3.352 0.000 -0.745) 3.434 11.665 ( 0.422 0.000 -2.962) 2.992 12.314 ( 2.942 0.000 6.141) 6.809 12.432 ( -2.429 0.000 1.720) 2.976 12.562 ( 5.065 0.000 1.013) 5.165 12.780 ( 5.034 0.000 -1.510) 5.255 12.865 ( -4.372 0.000 -1.566) 4.644 12.939 ( 2.236 0.000 -1.682) 2.798 13.774 ( 6.021 0.000 3.937) 7.194 13.904 ( -1.204 0.000 1.907) 2.255 14.114 ( -1.458 0.000 1.456) 2.061 14.179 ( 0.421 0.000 -0.941) 1.031 14.255 ( -1.459 0.000 2.712) 3.079 14.444 ( -6.657 0.000 -1.489) 6.821 14.817 ( 0.573 0.000 1.985) 2.066 14.917 ( -5.315 0.000 1.704) 5.581 15.162 ( 2.814 0.000 -2.277) 3.620 15.409 ( -10.041 0.000 -9.145) 13.581 16.251 ( 2.851 0.000 2.216) 3.611 16.314 ( -0.930 0.000 3.943) 4.051 16.615 ( 6.255 0.000 -0.089) 6.256 16.873 ( -6.003 0.000 -4.547) 7.530 17.348 ( 5.953 0.000 -4.610) 7.530 17.435 ( 2.810 0.000 -4.813) 5.573 17.675 ( 6.360 0.000 6.364) 8.997 17.814 ( 4.491 0.000 2.473) 5.127 17.854 ( 1.799 0.000 6.299) 6.551 18.099 ( -7.615 0.000 -1.149) 7.701 18.559 ( 0.202 0.000 -0.803) 0.828 18.641 ( -2.457 0.000 1.405) 2.830 18.729 ( 4.797 0.000 1.465) 5.015 18.885 ( -0.420 0.000 -0.482) 0.639 18.919 ( 3.206 0.000 0.134) 3.209 19.208 ( -10.914 0.000 -4.836) 11.937 19.399 ( 1.593 0.000 0.598) 1.701 19.443 ( -2.236 0.000 -1.165) 2.521 20.293 ( 5.611 0.000 -1.901) 5.924 20.487 ( -0.424 0.000 -5.308) 5.325 20.604 ( 1.091 0.000 2.429) 2.663 20.694 ( -0.330 0.000 -0.767) 0.835 20.808 ( 2.743 0.000 1.894) 3.334 21.018 ( -6.207 0.000 -4.337) 7.572 21.484 ( 1.217 0.000 5.037) 5.182 21.577 ( -2.590 0.000 1.739) 3.120 21.846 ( 2.026 0.000 0.701) 2.144 22.026 ( -6.842 0.000 -3.100) 7.512 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -2.915 0.000 3.024) 4.200 2.307 ( 2.915 0.000 3.024) 4.200 2.856 ( -12.398 0.000 -2.441) 12.636 2.856 ( 12.398 0.000 -2.441) 12.636 3.061 ( -3.543 0.000 -0.078) 3.543 3.061 ( 3.543 0.000 -0.078) 3.543 3.287 ( -5.977 0.000 0.272) 5.984 3.287 ( 5.977 0.000 0.272) 5.984 3.501 ( -3.030 0.000 -1.711) 3.480 3.501 ( 3.030 0.000 -1.711) 3.480 3.583 ( -2.648 0.000 1.938) 3.282 3.583 ( 2.648 0.000 1.938) 3.282 3.920 ( -1.665 0.000 -3.436) 3.818 3.920 ( 1.665 0.000 -3.436) 3.818 4.150 ( -7.390 0.000 -3.388) 8.129 4.150 ( 7.390 0.000 -3.388) 8.129 4.302 ( -1.165 0.000 -1.372) 1.800 4.302 ( 1.165 0.000 -1.372) 1.800 4.767 ( -3.914 0.000 -4.538) 5.993 4.767 ( 3.914 0.000 -4.538) 5.993 4.972 ( -5.493 0.000 11.781) 12.999 4.972 ( 5.493 0.000 11.781) 12.999 5.330 ( -3.240 0.000 0.489) 3.277 5.330 ( 3.240 0.000 0.489) 3.277 5.439 ( -3.176 0.000 3.270) 4.559 5.439 ( 3.176 0.000 3.270) 4.559 5.619 ( -3.483 0.000 0.928) 3.605 5.619 ( 3.483 0.000 0.928) 3.605 5.744 ( -6.769 0.000 3.555) 7.646 5.744 ( 6.769 0.000 3.555) 7.646 6.063 ( -0.919 0.000 -1.297) 1.589 6.063 ( 0.919 0.000 -1.297) 1.589 6.273 ( -1.919 0.000 -1.915) 2.711 6.273 ( 1.919 0.000 -1.915) 2.711 6.445 ( -1.594 0.000 0.104) 1.597 6.445 ( 1.594 0.000 0.104) 1.597 6.942 ( -6.961 0.000 -3.808) 7.935 6.942 ( 6.961 0.000 -3.808) 7.935 7.115 ( -2.985 0.000 -3.351) 4.487 7.115 ( 2.985 0.000 -3.351) 4.487 7.700 ( -1.244 0.000 2.516) 2.807 7.700 ( 1.244 0.000 2.516) 2.807 7.979 ( -2.193 0.000 5.021) 5.479 7.979 ( 2.193 0.000 5.021) 5.479 8.129 ( -2.207 0.000 -0.198) 2.216 8.129 ( 2.207 0.000 -0.198) 2.216 8.339 ( -4.498 0.000 -0.593) 4.537 8.339 ( 4.498 0.000 -0.593) 4.537 8.432 ( -6.829 0.000 -1.201) 6.934 8.432 ( 6.829 0.000 -1.201) 6.934 9.019 ( -1.358 0.000 -0.638) 1.501 9.019 ( 1.358 0.000 -0.638) 1.501 9.482 ( -1.931 0.000 -0.953) 2.153 9.482 ( 1.931 0.000 -0.953) 2.153 9.612 ( -2.403 0.000 -2.848) 3.726 9.612 ( 2.403 0.000 -2.848) 3.726 10.251 ( -1.015 0.000 0.871) 1.337 10.251 ( 1.015 0.000 0.871) 1.337 10.533 ( -1.275 0.000 -1.261) 1.793 10.533 ( 1.275 0.000 -1.261) 1.793 11.117 ( -1.751 0.000 3.019) 3.490 11.117 ( 1.751 0.000 3.019) 3.490 11.650 ( -1.747 0.000 -1.492) 2.298 11.650 ( 1.747 0.000 -1.492) 2.298 12.374 ( -3.238 0.000 3.247) 4.586 12.374 ( 3.238 0.000 3.247) 4.586 12.686 ( -7.369 0.000 -1.325) 7.488 12.686 ( 7.369 0.000 -1.325) 7.488 12.932 ( -3.474 0.000 -0.884) 3.585 12.932 ( 3.474 0.000 -0.884) 3.585 13.864 ( -3.248 0.000 3.109) 4.496 13.864 ( 3.248 0.000 3.109) 4.496 14.131 ( -3.010 0.000 2.057) 3.646 14.131 ( 3.010 0.000 2.057) 3.646 14.316 ( -6.074 0.000 -0.441) 6.090 14.316 ( 6.074 0.000 -0.441) 6.090 14.846 ( -2.420 0.000 1.537) 2.867 14.846 ( 2.420 0.000 1.537) 2.867 15.250 ( -6.539 0.000 -5.950) 8.841 15.250 ( 6.539 0.000 -5.950) 8.841 16.291 ( -1.501 0.000 3.669) 3.964 16.291 ( 1.501 0.000 3.669) 3.964 16.746 ( -7.078 0.000 -3.020) 7.695 16.746 ( 7.078 0.000 -3.020) 7.695 17.435 ( -2.712 0.000 -4.359) 5.133 17.435 ( 2.712 0.000 -4.359) 5.133 17.792 ( -5.093 0.000 5.003) 7.140 17.792 ( 5.093 0.000 5.003) 7.140 17.954 ( -7.305 0.000 1.419) 7.442 17.954 ( 7.305 0.000 1.419) 7.442 18.582 ( -2.539 0.000 2.004) 3.235 18.582 ( 2.539 0.000 2.004) 3.235 18.849 ( -4.866 0.000 -2.002) 5.262 18.849 ( 4.866 0.000 -2.002) 5.262 19.008 ( -7.714 0.000 -1.307) 7.824 19.008 ( 7.714 0.000 -1.307) 7.824 19.422 ( -0.838 0.000 0.446) 0.949 19.422 ( 0.838 0.000 0.446) 0.949 20.405 ( -5.916 0.000 -4.690) 7.549 20.405 ( 5.916 0.000 -4.690) 7.549 20.660 ( -2.919 0.000 1.792) 3.425 20.660 ( 2.919 0.000 1.792) 3.425 20.897 ( -5.968 0.000 -0.979) 6.048 20.897 ( 5.968 0.000 -0.979) 6.048 21.526 ( -2.676 0.000 2.933) 3.970 21.526 ( 2.676 0.000 2.933) 3.970 21.912 ( -4.889 0.000 -1.342) 5.070 21.912 ( 4.889 0.000 -1.342) 5.070 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 24.246 23.020) 33.433 0.974 ( 0.000 24.173 25.386) 35.054 1.652 ( 0.000 36.948 43.397) 56.996 2.430 ( 0.000 6.175 -20.173) 21.097 2.603 ( 0.000 -2.208 1.823) 2.863 2.623 ( 0.000 -3.149 -4.785) 5.728 2.800 ( 0.000 -11.486 4.689) 12.406 3.065 ( 0.000 -2.976 1.491) 3.329 3.506 ( 0.000 -10.639 9.745) 14.427 3.656 ( 0.000 -0.624 1.191) 1.344 3.768 ( 0.000 -2.009 3.442) 3.985 3.813 ( 0.000 -1.543 -6.582) 6.760 4.024 ( 0.000 3.427 0.863) 3.534 4.160 ( 0.000 0.556 -8.210) 8.229 4.306 ( 0.000 -1.403 -1.406) 1.986 4.401 ( 0.000 2.283 1.035) 2.507 4.481 ( 0.000 4.991 -11.043) 12.118 4.522 ( 0.000 -2.849 6.818) 7.389 4.811 ( 0.000 4.010 -1.672) 4.344 4.823 ( 0.000 -4.877 -1.764) 5.187 4.916 ( 0.000 -7.691 -0.415) 7.702 4.978 ( 0.000 -1.344 -0.844) 1.587 5.063 ( 0.000 4.019 1.921) 4.454 5.193 ( 0.000 1.504 -2.434) 2.861 5.462 ( 0.000 1.882 2.212) 2.904 5.499 ( 0.000 3.742 -6.022) 7.090 5.720 ( 0.000 -0.098 -10.255) 10.256 5.755 ( 0.000 5.149 3.094) 6.007 5.883 ( 0.000 4.337 -14.968) 15.584 5.948 ( 0.000 1.349 1.433) 1.968 6.162 ( 0.000 3.222 -8.352) 8.952 6.248 ( 0.000 -0.806 -3.140) 3.242 6.341 ( 0.000 -4.253 -4.995) 6.561 6.436 ( 0.000 -2.783 2.302) 3.612 6.496 ( 0.000 -1.408 -2.424) 2.803 6.538 ( 0.000 1.913 0.935) 2.129 6.778 ( 0.000 9.643 1.815) 9.812 6.921 ( 0.000 1.034 3.640) 3.784 7.272 ( 0.000 -4.803 3.635) 6.023 7.412 ( 0.000 -3.727 2.217) 4.336 7.485 ( 0.000 2.076 3.725) 4.265 7.733 ( 0.000 0.252 0.424) 0.494 7.982 ( 0.000 -2.792 4.069) 4.935 8.009 ( 0.000 -3.058 3.284) 4.487 8.162 ( 0.000 -7.609 3.014) 8.184 8.175 ( 0.000 -2.087 6.244) 6.583 8.205 ( 0.000 -3.139 1.303) 3.399 8.579 ( 0.000 -3.518 -0.549) 3.561 8.675 ( 0.000 -6.236 2.366) 6.669 9.010 ( 0.000 5.876 -4.895) 7.648 9.035 ( 0.000 -3.956 0.970) 4.073 9.176 ( 0.000 -0.363 -0.622) 0.720 9.503 ( 0.000 3.191 -0.734) 3.274 9.576 ( 0.000 -0.646 2.639) 2.717 9.674 ( 0.000 1.462 -0.901) 1.717 9.832 ( 0.000 -0.527 0.154) 0.549 9.844 ( 0.000 -1.912 -0.194) 1.921 9.971 ( 0.000 3.360 -0.666) 3.425 10.047 ( 0.000 -3.297 -2.245) 3.989 10.112 ( 0.000 -0.419 -2.389) 2.426 10.612 ( 0.000 10.636 -4.699) 11.628 10.644 ( 0.000 6.192 -1.016) 6.275 11.094 ( 0.000 -3.360 2.304) 4.074 11.330 ( 0.000 -7.058 -1.850) 7.297 12.232 ( 0.000 -7.585 9.153) 11.888 12.385 ( 0.000 -3.727 7.827) 8.669 12.529 ( 0.000 1.358 -0.348) 1.402 12.555 ( 0.000 -0.570 -0.335) 0.661 12.903 ( 0.000 -10.406 17.132) 20.045 13.243 ( 0.000 -4.023 -1.016) 4.149 13.577 ( 0.000 4.233 -6.792) 8.003 13.800 ( 0.000 4.588 -9.441) 10.497 14.220 ( 0.000 -0.738 3.954) 4.022 14.492 ( 0.000 3.750 2.103) 4.300 14.602 ( 0.000 3.925 -1.009) 4.053 14.804 ( 0.000 0.279 -0.404) 0.491 14.823 ( 0.000 4.575 0.264) 4.583 15.076 ( 0.000 -0.985 -2.437) 2.628 15.641 ( 0.000 1.502 2.060) 2.549 15.831 ( 0.000 -2.495 -2.990) 3.895 16.141 ( 0.000 -1.828 -1.889) 2.629 16.297 ( 0.000 0.684 -4.186) 4.242 16.606 ( 0.000 -14.248 7.532) 16.116 16.660 ( 0.000 -4.566 2.729) 5.320 16.900 ( 0.000 7.042 1.174) 7.139 16.999 ( 0.000 2.286 -0.713) 2.394 17.476 ( 0.000 -7.210 4.429) 8.462 17.636 ( 0.000 -8.140 -2.531) 8.524 17.819 ( 0.000 1.455 6.895) 7.047 18.156 ( 0.000 1.313 -4.151) 4.354 18.303 ( 0.000 0.713 2.495) 2.595 18.479 ( 0.000 8.010 -1.577) 8.164 18.873 ( 0.000 -1.595 -2.709) 3.144 18.965 ( 0.000 0.821 1.009) 1.301 18.999 ( 0.000 6.068 -5.486) 8.180 19.020 ( 0.000 -0.189 0.030) 0.191 19.409 ( 0.000 3.496 -0.035) 3.496 19.643 ( 0.000 20.660 -16.469) 26.421 19.990 ( 0.000 -0.717 0.346) 0.796 20.190 ( 0.000 -0.555 -1.432) 1.536 20.454 ( 0.000 8.991 4.545) 10.074 20.854 ( 0.000 -0.161 0.402) 0.433 21.020 ( 0.000 -0.267 -5.541) 5.548 21.111 ( 0.000 2.083 -7.120) 7.418 21.577 ( 0.000 -0.940 2.428) 2.603 21.662 ( 0.000 -4.144 2.959) 5.092 22.219 ( 0.000 -6.993 4.918) 8.549 22.294 ( 0.000 -3.114 0.427) 3.143 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 17.267 17.630 19.189) 31.260 1.199 ( 18.196 16.830 23.669) 34.272 2.014 ( 32.825 28.049 30.272) 52.731 2.511 ( 7.187 3.694 -18.738) 20.406 2.634 ( 3.942 -5.268 10.401) 12.308 2.689 ( 6.008 2.960 -12.749) 14.401 2.882 ( 7.816 -11.398 3.477) 14.251 3.098 ( 4.003 -2.983 1.710) 5.277 3.530 ( 0.963 -10.758 6.617) 12.667 3.614 ( -3.319 -0.264 2.842) 4.378 3.734 ( -3.031 -1.485 3.552) 4.900 3.840 ( 2.339 -0.858 -6.868) 7.306 3.998 ( -1.764 2.735 0.503) 3.293 4.133 ( -2.724 2.128 -8.231) 8.927 4.263 ( -4.334 -1.153 -0.378) 4.500 4.348 ( -4.758 0.622 0.558) 4.831 4.501 ( 1.941 4.912 -3.625) 6.406 4.519 ( -0.179 -1.591 1.369) 2.107 4.741 ( -5.870 2.304 -5.429) 8.321 4.823 ( -0.559 -3.475 1.682) 3.901 4.903 ( -7.856 3.316 2.695) 8.943 4.932 ( -0.925 -6.547 -6.246) 9.096 5.086 ( 4.432 -0.650 2.649) 5.204 5.167 ( -1.745 1.444 -2.118) 3.101 5.426 ( -3.484 4.857 4.617) 7.553 5.541 ( 1.988 3.855 -6.228) 7.590 5.596 ( -7.271 2.021 -9.753) 12.332 5.746 ( -1.124 7.594 -1.548) 7.831 5.882 ( 1.004 2.572 -1.435) 3.112 6.000 ( -0.731 -3.523 -1.415) 3.867 6.129 ( 1.329 -0.399 -6.111) 6.266 6.227 ( -0.976 -3.447 -2.853) 4.579 6.353 ( -0.895 -4.935 0.582) 5.049 6.449 ( -2.176 -2.910 -0.881) 3.739 6.497 ( -1.516 -1.123 -0.334) 1.916 6.557 ( 3.782 1.769 -1.419) 4.410 6.831 ( 0.429 7.054 -0.020) 7.067 6.897 ( 0.485 4.752 -2.497) 5.390 7.213 ( -3.715 -2.615 5.051) 6.793 7.449 ( 3.671 -4.411 0.845) 5.801 7.544 ( 2.154 -2.223 4.359) 5.347 7.726 ( -1.043 -0.353 0.653) 1.281 7.919 ( -5.392 -1.803 4.975) 7.555 7.995 ( -3.770 -2.509 0.788) 4.597 8.045 ( -2.835 -0.676 4.186) 5.101 8.139 ( -1.080 -0.958 1.929) 2.410 8.315 ( 3.777 -2.992 4.800) 6.801 8.595 ( -1.531 -7.970 -1.285) 8.216 8.650 ( 2.122 -0.868 0.574) 2.363 8.896 ( -8.682 4.764 -3.627) 10.547 9.030 ( -1.762 -5.555 2.955) 6.534 9.177 ( -1.336 -4.048 -0.001) 4.263 9.469 ( 0.031 0.597 1.721) 1.822 9.590 ( -0.911 0.889 -0.428) 1.343 9.714 ( -0.777 2.453 -2.553) 3.625 9.756 ( -1.205 2.061 -0.693) 2.486 9.923 ( 5.248 -1.219 0.063) 5.389 9.978 ( 0.957 1.256 -0.030) 1.580 10.102 ( 5.744 0.056 -3.672) 6.817 10.198 ( 6.707 -2.791 -2.468) 7.672 10.699 ( 7.954 7.757 -0.877) 11.145 10.724 ( 8.292 6.879 -1.268) 10.849 11.214 ( 9.420 -2.827 -1.955) 10.028 11.383 ( 5.281 -6.203 -3.309) 8.793 12.234 ( 0.122 -6.862 10.193) 12.288 12.361 ( -1.714 -3.434 9.233) 9.999 12.521 ( -0.254 1.901 0.795) 2.076 12.585 ( 2.401 0.539 -0.910) 2.623 12.815 ( -5.021 3.100 11.768) 13.165 13.287 ( 1.474 -7.086 -1.058) 7.314 13.549 ( -2.203 1.782 -4.622) 5.421 13.795 ( -0.084 1.172 -9.458) 9.531 14.199 ( -2.805 0.286 4.533) 5.339 14.369 ( -9.428 7.433 2.191) 12.203 14.478 ( -2.251 2.907 3.020) 4.757 14.740 ( -4.560 0.709 -1.302) 4.795 14.977 ( 3.264 -2.118 0.560) 3.931 15.059 ( -0.440 0.571 -2.107) 2.227 15.526 ( -10.597 3.565 3.242) 11.641 15.857 ( 2.756 -2.040 -3.368) 4.807 16.114 ( -1.332 -1.431 -2.956) 3.544 16.220 ( -4.374 1.628 -2.787) 5.436 16.593 ( -1.938 -6.774 6.668) 9.701 16.742 ( 6.071 -7.033 1.361) 9.390 17.013 ( 3.058 4.365 -0.690) 5.374 17.080 ( 10.679 -1.055 -4.537) 11.651 17.496 ( 1.729 -5.891 4.565) 7.651 17.662 ( 1.186 -6.383 -1.454) 6.653 17.797 ( -1.042 5.325 4.811) 7.252 18.190 ( 3.192 0.566 -5.075) 6.022 18.344 ( 3.501 -1.413 2.947) 4.789 18.509 ( 3.040 6.051 -1.449) 6.925 18.792 ( -5.225 3.194 0.079) 6.125 18.873 ( -2.158 -0.146 -2.759) 3.506 19.017 ( 0.719 -3.020 1.826) 3.602 19.168 ( 4.393 -6.768 -2.642) 8.491 19.427 ( 1.556 5.307 0.427) 5.547 19.716 ( 4.775 11.117 -13.299) 17.979 20.024 ( 3.112 -0.208 -1.993) 3.702 20.202 ( 1.655 0.675 -3.694) 4.104 20.481 ( 2.785 7.144 4.055) 8.674 20.831 ( -1.967 0.304 2.449) 3.156 20.982 ( -4.179 1.471 -5.078) 6.739 21.121 ( 1.064 0.175 -8.406) 8.474 21.577 ( -0.146 -1.166 2.112) 2.417 21.645 ( -1.930 -4.563 3.846) 6.272 22.050 ( -9.326 1.424 8.516) 12.710 22.342 ( -0.814 -5.310 -3.440) 6.379 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 25.904 7.854 11.846) 29.548 1.598 ( 22.695 11.443 17.233) 30.708 2.569 ( 12.325 -1.335 1.176) 12.452 2.671 ( 9.986 0.421 -5.421) 11.370 2.760 ( 4.634 0.152 -1.332) 4.824 2.914 ( 28.412 12.814 6.273) 31.793 3.050 ( 8.325 -13.245 2.182) 15.795 3.235 ( 10.161 -1.480 -0.296) 10.273 3.417 ( -10.138 -0.435 -0.747) 10.175 3.635 ( 2.726 -6.297 4.517) 8.215 3.676 ( -2.739 -2.487 4.159) 5.566 3.870 ( -0.295 0.783 -7.435) 7.482 3.960 ( -2.998 -0.277 -0.292) 3.025 4.060 ( -4.797 7.454 -6.643) 11.077 4.145 ( -6.285 -3.871 2.488) 7.789 4.277 ( -2.218 1.139 -2.094) 3.256 4.462 ( -8.699 0.482 3.203) 9.283 4.529 ( 0.371 3.036 -0.647) 3.126 4.655 ( -7.689 0.345 -1.236) 7.795 4.686 ( -1.221 4.812 -4.280) 6.554 4.822 ( -2.680 0.919 0.371) 2.858 4.949 ( 2.506 -3.802 -1.523) 4.802 5.134 ( -0.055 0.071 -0.342) 0.354 5.194 ( 4.175 -2.026 -1.744) 4.958 5.330 ( -4.594 6.092 2.552) 8.045 5.487 ( -4.405 2.496 -7.680) 9.198 5.570 ( 0.296 5.335 0.886) 5.416 5.736 ( -0.012 6.023 -3.253) 6.845 5.882 ( -2.793 2.519 1.427) 4.023 5.949 ( -0.633 -1.981 3.237) 3.848 6.173 ( 0.046 -5.374 -0.971) 5.461 6.231 ( 1.531 -2.854 -3.777) 4.975 6.310 ( -2.603 -5.110 2.011) 6.077 6.380 ( -4.056 -2.879 1.423) 5.174 6.494 ( 0.502 -1.449 -0.808) 1.733 6.551 ( -4.231 1.224 -0.665) 4.455 6.793 ( -1.262 5.531 -6.084) 8.318 6.937 ( 1.627 3.778 -4.386) 6.013 7.158 ( -2.384 -3.667 3.102) 5.362 7.421 ( -7.139 -6.006 -0.115) 9.330 7.618 ( 5.933 -1.277 5.822) 8.409 7.702 ( -0.318 0.372 2.009) 2.068 7.848 ( -2.838 0.776 1.655) 3.376 7.892 ( -1.907 -0.698 3.108) 3.712 8.065 ( 0.583 -0.058 1.673) 1.773 8.138 ( 0.955 -0.294 2.261) 2.472 8.339 ( -0.745 0.982 2.314) 2.621 8.543 ( -3.154 -5.771 -0.526) 6.598 8.699 ( -3.519 -2.194 -1.542) 4.424 8.747 ( -2.466 1.125 -1.412) 3.056 8.977 ( -2.758 -8.597 2.069) 9.262 9.121 ( -4.519 -5.566 -0.805) 7.214 9.495 ( 1.860 1.402 0.639) 2.416 9.555 ( -1.816 1.907 0.165) 2.639 9.655 ( -2.527 2.777 -2.403) 4.458 9.753 ( -1.400 5.564 -2.639) 6.315 10.017 ( 5.187 0.541 1.277) 5.369 10.065 ( 6.622 -0.135 0.313) 6.631 10.232 ( 7.348 -1.307 -3.479) 8.234 10.322 ( 6.250 -3.016 -1.747) 7.157 10.861 ( 8.486 5.478 1.184) 10.169 10.926 ( 11.073 6.598 -0.574) 12.903 11.378 ( 7.552 -2.130 -1.592) 8.007 11.505 ( 6.537 -3.705 -5.483) 9.301 12.238 ( 0.602 -3.423 11.692) 12.198 12.353 ( 1.267 -2.689 6.961) 7.569 12.532 ( 1.452 2.651 1.301) 3.291 12.611 ( 0.018 0.417 -0.095) 0.428 12.797 ( 3.176 7.717 3.573) 9.078 13.234 ( -6.985 -0.325 -3.419) 7.784 13.533 ( 1.174 -3.860 0.287) 4.045 13.804 ( 0.667 -6.507 -6.226) 9.031 14.143 ( -1.286 2.643 3.869) 4.859 14.284 ( -2.135 3.854 -0.294) 4.415 14.420 ( -3.701 2.666 2.326) 5.120 14.644 ( -4.997 -0.031 -2.530) 5.601 14.936 ( -4.672 0.614 3.742) 6.018 15.069 ( -0.248 -2.076 0.703) 2.206 15.320 ( -9.963 5.729 2.117) 11.686 15.812 ( -8.979 -4.247 -10.117) 14.178 16.104 ( 2.834 1.604 0.706) 3.332 16.239 ( 4.307 0.057 -2.279) 4.873 16.536 ( -2.964 -2.900 8.143) 9.138 16.857 ( 4.841 -8.218 -1.471) 9.650 17.104 ( 6.843 4.183 -1.613) 8.181 17.245 ( 6.896 1.196 -5.634) 8.984 17.535 ( 2.184 -2.960 4.525) 5.832 17.651 ( -0.832 -1.323 2.664) 3.088 17.813 ( 2.369 6.384 3.187) 7.518 18.242 ( 1.131 -0.897 -4.556) 4.779 18.423 ( 4.638 -2.851 2.238) 5.886 18.576 ( 3.263 0.850 -1.668) 3.762 18.737 ( -1.150 0.910 0.104) 1.470 18.828 ( -2.291 -1.742 -1.214) 3.123 19.006 ( -2.069 -2.851 2.299) 4.207 19.191 ( -0.731 -9.594 -1.848) 9.798 19.447 ( 0.380 7.563 1.037) 7.643 19.768 ( -0.273 6.594 -11.067) 12.886 20.069 ( 2.409 -3.150 4.028) 5.652 20.269 ( 4.858 1.085 -5.965) 7.769 20.551 ( 4.078 2.991 1.813) 5.372 20.784 ( -3.057 1.603 3.262) 4.749 20.894 ( -4.025 2.751 -3.297) 5.885 21.129 ( -0.753 -1.669 -8.970) 9.155 21.549 ( -3.152 -1.472 4.515) 5.700 21.613 ( -0.582 -3.548 3.019) 4.695 21.924 ( -4.355 4.441 5.442) 8.265 22.270 ( -5.883 -3.470 -4.441) 8.147 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 21.167 7.526 7.249) 23.606 2.049 ( 24.705 3.669 9.752) 26.812 2.618 ( -5.069 -1.030 2.056) 5.566 2.783 ( 4.479 -2.909 -3.356) 6.308 2.877 ( 8.707 -2.311 -5.036) 10.321 3.146 ( 0.604 -7.800 -4.408) 8.980 3.199 ( -7.200 -0.585 -2.040) 7.506 3.404 ( 6.996 -3.596 -0.363) 7.874 3.519 ( 13.118 0.363 2.967) 13.454 3.615 ( 0.772 -2.297 2.928) 3.801 3.678 ( 1.519 -1.028 2.323) 2.960 3.809 ( -4.266 2.382 -1.730) 5.184 3.871 ( -4.170 -1.244 -0.275) 4.360 3.976 ( -2.814 4.587 -3.791) 6.583 4.101 ( -0.937 5.434 0.667) 5.554 4.220 ( -6.022 -2.393 -1.208) 6.592 4.275 ( -3.783 4.666 2.365) 6.455 4.494 ( -4.131 -1.098 -2.943) 5.189 4.558 ( 1.915 4.111 0.949) 4.633 4.759 ( 0.811 -0.763 -0.420) 1.190 4.803 ( 4.576 5.513 -0.299) 7.171 4.998 ( 0.942 -1.871 6.145) 6.493 5.125 ( 1.081 2.488 -7.518) 7.993 5.265 ( 2.846 1.702 0.286) 3.328 5.314 ( 2.809 -2.186 2.084) 4.124 5.403 ( -3.043 1.192 -2.111) 3.890 5.562 ( -1.365 7.103 2.782) 7.750 5.747 ( 1.414 1.560 0.741) 2.232 5.839 ( -1.304 6.058 2.115) 6.547 5.901 ( -5.722 2.296 4.620) 7.704 6.134 ( -3.421 -2.054 -0.318) 4.003 6.227 ( -1.719 -3.816 -3.692) 5.580 6.290 ( 0.864 -4.748 0.202) 4.830 6.360 ( 0.854 -3.845 1.129) 4.097 6.422 ( -6.616 -3.679 1.036) 7.641 6.492 ( -2.902 -1.302 -1.407) 3.478 6.791 ( 1.101 3.283 -8.537) 9.213 6.967 ( 1.920 1.174 -4.087) 4.665 7.117 ( -1.903 -4.415 0.135) 4.810 7.258 ( -8.693 -2.467 -0.121) 9.037 7.676 ( 1.311 -1.585 3.251) 3.847 7.763 ( 3.364 -0.020 2.830) 4.396 7.824 ( 2.349 1.094 2.618) 3.683 7.914 ( 2.514 0.691 0.726) 2.706 8.047 ( -1.269 -0.752 4.538) 4.771 8.173 ( 1.748 1.113 1.191) 2.390 8.296 ( -3.280 1.257 0.829) 3.609 8.444 ( -6.934 -3.666 -1.639) 8.013 8.577 ( -5.904 -1.629 0.704) 6.165 8.732 ( -2.893 -0.977 -1.992) 3.645 8.944 ( -0.809 -8.731 -0.076) 8.768 9.033 ( -3.663 -5.062 -1.305) 6.384 9.519 ( -0.175 4.699 -0.015) 4.702 9.543 ( 1.431 1.804 0.308) 2.323 9.619 ( -1.775 3.223 -2.157) 4.265 9.722 ( -1.413 6.297 -3.091) 7.156 10.120 ( 5.235 -0.182 1.525) 5.455 10.179 ( 4.881 -0.271 0.628) 4.929 10.363 ( 6.155 -1.812 -3.051) 7.105 10.431 ( 4.917 -3.131 -1.180) 5.947 11.005 ( 6.414 5.135 2.261) 8.522 11.095 ( 6.168 5.254 0.753) 8.137 11.501 ( 5.263 -2.124 -0.621) 5.709 11.605 ( 3.657 -2.455 -4.605) 6.373 12.267 ( 2.512 -0.166 9.256) 9.592 12.401 ( 3.228 -2.105 3.661) 5.315 12.537 ( -1.169 0.428 0.849) 1.507 12.660 ( 5.934 2.137 0.362) 6.317 12.884 ( 4.414 5.109 -0.370) 6.762 13.071 ( -8.366 3.605 -3.716) 9.838 13.588 ( 4.223 -6.780 3.194) 8.602 13.806 ( -0.553 -9.894 -1.171) 9.978 14.154 ( 1.584 2.499 0.654) 3.030 14.241 ( -2.238 4.559 -0.356) 5.091 14.350 ( -3.417 2.726 2.084) 4.843 14.555 ( -4.690 -0.005 -2.457) 5.295 14.852 ( -3.251 1.417 4.266) 5.548 15.027 ( -4.385 -1.910 1.942) 5.163 15.179 ( -4.105 4.374 -0.231) 6.003 15.597 ( -11.936 -3.007 -10.334) 16.072 16.186 ( 4.533 0.699 1.516) 4.831 16.309 ( 1.980 -0.593 0.763) 2.203 16.520 ( 2.125 -0.600 4.862) 5.340 16.899 ( -0.592 -5.876 -3.615) 6.924 17.254 ( 7.852 3.384 -3.577) 9.269 17.351 ( 4.396 1.210 -5.835) 7.405 17.582 ( 3.470 -0.353 6.063) 6.995 17.675 ( 3.014 -3.190 4.982) 6.639 17.876 ( 4.075 7.066 2.694) 8.590 18.214 ( -3.871 -0.869 -3.079) 5.022 18.505 ( 3.629 -3.544 1.079) 5.186 18.612 ( 0.522 -2.023 -0.379) 2.123 18.740 ( 1.328 0.668 -0.396) 1.538 18.801 ( -0.566 -3.034 1.040) 3.257 18.947 ( -3.362 0.598 0.962) 3.548 19.157 ( -3.155 -11.469 -2.633) 12.183 19.457 ( 1.084 7.538 1.098) 7.694 19.697 ( -5.829 9.900 -6.983) 13.444 20.140 ( 4.449 -4.974 3.401) 7.490 20.364 ( 4.470 -3.018 -3.695) 6.538 20.622 ( 3.196 0.543 0.400) 3.267 20.722 ( -2.807 3.396 -0.073) 4.406 20.843 ( -1.549 3.020 -0.071) 3.395 21.084 ( -3.969 -3.089 -7.067) 8.674 21.497 ( -1.422 0.209 6.082) 6.250 21.606 ( -0.598 -1.442 1.741) 2.339 21.865 ( -2.001 3.142 2.282) 4.369 22.143 ( -7.104 -2.282 -4.069) 8.499 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 9.084 6.395 3.970) 11.798 2.438 ( -1.150 1.752 3.305) 3.913 2.523 ( 14.433 1.459 3.050) 14.824 2.882 ( 4.227 -3.358 -2.442) 5.925 3.022 ( 4.754 -2.731 -1.109) 5.594 3.053 ( -1.951 0.554 -3.809) 4.315 3.223 ( 3.224 -4.198 -7.311) 9.026 3.355 ( -6.459 -1.140 1.914) 6.832 3.469 ( -5.124 -4.208 0.608) 6.659 3.617 ( -7.337 1.068 -0.515) 7.432 3.654 ( -3.043 -0.501 3.005) 4.306 3.734 ( -6.225 1.470 0.914) 6.461 3.864 ( 1.778 1.224 -2.434) 3.253 3.933 ( -5.154 -2.177 -2.617) 6.177 4.079 ( 0.066 2.850 -2.368) 3.706 4.174 ( 6.780 -0.829 0.445) 6.845 4.340 ( 0.003 5.726 -0.200) 5.729 4.403 ( -2.832 2.320 -3.654) 5.173 4.690 ( 7.483 1.243 3.553) 8.376 4.784 ( 4.086 -0.916 0.317) 4.200 4.872 ( 0.740 3.637 -0.069) 3.712 4.974 ( -1.240 -1.579 8.549) 8.781 5.223 ( 7.091 0.730 -2.973) 7.723 5.307 ( 2.210 0.497 -0.609) 2.346 5.378 ( 4.380 -3.171 0.279) 5.415 5.446 ( 6.068 2.232 2.945) 7.105 5.541 ( 0.172 6.067 1.744) 6.315 5.727 ( -6.522 1.305 5.383) 8.557 5.768 ( -3.885 2.321 5.066) 6.793 5.852 ( 1.995 7.340 -0.506) 7.623 6.085 ( -1.628 0.765 -1.187) 2.155 6.159 ( -6.686 -2.124 -3.109) 7.673 6.254 ( -5.348 -6.009 0.279) 8.049 6.330 ( -1.484 -4.420 1.731) 4.973 6.373 ( -0.010 -3.780 -0.834) 3.871 6.438 ( -1.324 -1.355 -0.676) 2.011 6.841 ( 4.134 1.286 -6.905) 8.150 7.011 ( 1.930 -2.866 -4.544) 5.708 7.069 ( -3.881 -1.752 -0.093) 4.259 7.125 ( -4.065 -2.214 -1.929) 5.015 7.709 ( 2.171 1.161 2.461) 3.482 7.777 ( -0.374 4.396 1.280) 4.594 7.912 ( 3.936 -2.052 2.994) 5.354 7.962 ( 2.536 -0.492 4.045) 4.800 8.037 ( 0.025 -2.807 2.169) 3.547 8.156 ( -3.325 0.333 0.837) 3.445 8.278 ( 1.754 -0.328 0.120) 1.788 8.331 ( -3.548 -3.883 -1.533) 5.479 8.477 ( -4.138 0.827 0.562) 4.257 8.627 ( -7.432 2.075 -2.244) 8.036 8.940 ( 0.472 -6.556 -0.770) 6.618 8.989 ( -1.542 -5.298 -1.633) 5.755 9.514 ( 0.160 5.190 0.606) 5.228 9.567 ( -1.380 3.221 -1.168) 3.694 9.602 ( 2.206 4.472 -1.550) 5.222 9.698 ( -1.467 4.936 -3.301) 6.116 10.205 ( 3.479 -0.526 1.200) 3.717 10.243 ( 1.800 -0.291 0.965) 2.063 10.461 ( 3.932 -2.105 -2.245) 4.993 10.499 ( 2.104 -2.817 -1.342) 3.763 11.103 ( 3.910 4.629 2.766) 6.661 11.163 ( 1.282 4.453 2.055) 5.069 11.580 ( 3.199 -2.353 -0.571) 4.012 11.641 ( 0.313 -2.525 -2.625) 3.655 12.326 ( 3.376 1.266 5.668) 6.718 12.432 ( -1.008 0.181 1.743) 2.022 12.552 ( 4.008 -0.878 0.821) 4.185 12.752 ( -0.306 -3.331 -2.330) 4.077 12.912 ( 1.468 5.839 0.179) 6.023 13.004 ( 0.746 5.990 -2.074) 6.383 13.675 ( 4.404 -9.035 3.348) 10.594 13.784 ( -1.708 -10.609 1.241) 10.817 14.169 ( 0.225 4.121 1.175) 4.291 14.231 ( 0.557 3.584 0.603) 3.677 14.295 ( -1.530 4.193 1.548) 4.724 14.454 ( -5.927 0.807 -1.346) 6.131 14.828 ( 0.492 1.184 2.303) 2.636 14.929 ( -4.875 0.950 1.781) 5.277 15.158 ( 1.503 -0.071 -2.283) 2.734 15.386 ( -9.818 -2.366 -8.470) 13.181 16.258 ( 2.932 0.686 2.431) 3.870 16.317 ( -0.543 0.216 4.255) 4.295 16.608 ( 6.181 -0.582 -0.519) 6.230 16.843 ( -4.783 -3.305 -3.986) 7.050 17.368 ( 4.063 2.763 -4.225) 6.480 17.418 ( 2.335 -1.328 -4.193) 4.980 17.673 ( 5.436 -1.763 5.546) 7.964 17.738 ( 2.889 -3.661 4.115) 6.220 17.953 ( 3.633 7.346 1.956) 8.426 18.118 ( -5.494 1.782 -1.417) 5.947 18.552 ( 1.506 -2.232 0.859) 2.826 18.621 ( 0.154 -1.853 2.425) 3.056 18.758 ( 0.942 2.803 -0.233) 2.966 18.811 ( 1.874 -7.145 -0.056) 7.387 18.907 ( -0.817 -0.232 -0.498) 0.984 19.057 ( -7.132 -9.907 -3.316) 12.649 19.489 ( 2.143 7.959 0.938) 8.296 19.596 ( -4.169 11.615 -1.887) 12.484 20.229 ( 4.946 -6.439 -0.536) 8.138 20.401 ( -1.367 -7.070 -3.252) 7.901 20.664 ( 1.545 2.931 0.445) 3.343 20.702 ( 0.363 2.156 -0.871) 2.354 20.834 ( 0.954 2.139 0.593) 2.416 20.988 ( -5.634 -2.970 -3.637) 7.334 21.503 ( 1.738 1.911 4.665) 5.333 21.585 ( -1.614 0.759 2.024) 2.698 21.852 ( 0.857 0.659 0.193) 1.098 22.010 ( -6.581 -1.673 -3.011) 7.428 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.293 4.992 2.483) 6.029 2.357 ( 2.293 4.992 2.483) 6.029 2.841 ( -11.757 -1.824 -2.667) 12.193 2.841 ( 11.757 -1.824 -2.667) 12.193 3.049 ( -3.908 -0.502 0.496) 3.971 3.049 ( 3.908 -0.502 0.496) 3.971 3.272 ( -5.448 -1.770 -1.444) 5.907 3.272 ( 5.448 -1.770 -1.444) 5.907 3.483 ( -5.433 -1.703 -0.936) 5.770 3.483 ( 5.433 -1.703 -0.936) 5.770 3.619 ( -3.442 3.134 3.117) 5.602 3.619 ( 3.442 3.134 3.117) 5.602 3.872 ( -1.235 -3.063 -3.268) 4.646 3.872 ( 1.235 -3.063 -3.268) 4.646 4.175 ( -7.681 1.512 -1.438) 7.959 4.175 ( 7.681 1.512 -1.438) 7.959 4.354 ( -5.418 4.573 -2.651) 7.569 4.354 ( 5.418 4.573 -2.651) 7.569 4.778 ( -4.045 0.193 -2.995) 5.037 4.778 ( 4.045 0.193 -2.995) 5.037 4.939 ( -3.913 -1.891 10.116) 11.010 4.939 ( 3.913 -1.891 10.116) 11.010 5.321 ( -2.348 -0.456 -1.214) 2.683 5.321 ( 2.348 -0.456 -1.214) 2.683 5.481 ( -3.333 1.399 1.161) 3.797 5.481 ( 3.333 1.399 1.161) 3.797 5.597 ( -5.425 1.278 3.687) 6.683 5.597 ( 5.425 1.278 3.687) 6.683 5.810 ( -8.087 5.289 2.428) 9.964 5.810 ( 8.087 5.289 2.428) 9.964 6.054 ( -1.110 -0.926 -0.084) 1.447 6.054 ( 1.110 -0.926 -0.084) 1.447 6.252 ( -3.837 -2.160 -1.890) 4.792 6.252 ( 3.837 -2.160 -1.890) 4.792 6.411 ( -2.127 -3.527 0.115) 4.121 6.411 ( 2.127 -3.527 0.115) 4.121 6.941 ( -6.013 -0.533 -4.161) 7.332 6.941 ( 6.013 -0.533 -4.161) 7.332 7.076 ( -2.268 -3.193 -2.077) 4.433 7.076 ( 2.268 -3.193 -2.077) 4.433 7.753 ( -2.117 4.767 1.401) 5.401 7.753 ( 2.117 4.767 1.401) 5.401 7.961 ( -1.944 -1.629 4.592) 5.246 7.961 ( 1.944 -1.629 4.592) 5.246 8.084 ( -4.149 -4.098 0.505) 5.853 8.084 ( 4.149 -4.098 0.505) 5.853 8.303 ( -1.664 -2.988 -0.760) 3.503 8.303 ( 1.664 -2.988 -0.760) 3.503 8.487 ( -5.812 4.681 -0.986) 7.528 8.487 ( 5.812 4.681 -0.986) 7.528 8.960 ( -1.467 -5.476 -1.440) 5.849 8.960 ( 1.467 -5.476 -1.440) 5.849 9.531 ( -1.629 5.001 -0.060) 5.260 9.531 ( 1.629 5.001 -0.060) 5.260 9.658 ( -2.760 4.068 -2.738) 5.627 9.658 ( 2.760 4.068 -2.738) 5.627 10.249 ( -1.114 -0.407 1.100) 1.618 10.249 ( 1.114 -0.407 1.100) 1.618 10.509 ( -1.074 -2.430 -1.690) 3.149 10.509 ( 1.074 -2.430 -1.690) 3.149 11.157 ( -1.697 4.268 2.710) 5.333 11.157 ( 1.697 4.268 2.710) 5.333 11.626 ( -1.700 -2.592 -1.226) 3.333 11.626 ( 1.700 -2.592 -1.226) 3.333 12.388 ( -3.030 1.487 3.059) 4.555 12.388 ( 3.030 1.487 3.059) 4.555 12.659 ( -6.396 -2.564 -1.304) 7.013 12.659 ( 6.396 -2.564 -1.304) 7.013 12.986 ( -3.312 5.494 -0.599) 6.443 12.986 ( 3.312 5.494 -0.599) 6.443 13.743 ( -2.691 -10.601 2.185) 11.153 13.743 ( 2.691 -10.601 2.185) 11.153 14.197 ( -2.687 4.750 2.307) 5.925 14.197 ( 2.687 4.750 2.307) 5.925 14.342 ( -5.194 2.595 -0.401) 5.821 14.342 ( 5.194 2.595 -0.401) 5.821 14.858 ( -2.554 1.242 1.639) 3.279 14.858 ( 2.554 1.242 1.639) 3.279 15.232 ( -6.170 -1.787 -5.499) 8.455 15.232 ( 6.170 -1.787 -5.499) 8.455 16.298 ( -1.423 0.776 3.787) 4.119 16.298 ( 1.423 0.776 3.787) 4.119 16.732 ( -6.524 -1.592 -2.934) 7.328 16.732 ( 6.524 -1.592 -2.934) 7.328 17.423 ( -1.666 -0.300 -3.324) 3.730 17.423 ( 1.666 -0.300 -3.324) 3.730 17.753 ( -1.949 -3.512 3.430) 5.281 17.753 ( 1.949 -3.512 3.430) 5.281 18.023 ( -4.243 6.054 0.709) 7.427 18.023 ( 4.243 6.054 0.709) 7.427 18.588 ( -2.554 -0.435 2.766) 3.790 18.588 ( 2.554 -0.435 2.766) 3.790 18.817 ( -2.877 -3.671 -1.927) 5.046 18.817 ( 2.877 -3.671 -1.927) 5.046 18.928 ( -4.450 -4.835 -1.195) 6.679 18.928 ( 4.450 -4.835 -1.195) 6.679 19.535 ( -2.608 9.793 0.334) 10.140 19.535 ( 2.608 9.793 0.334) 10.140 20.328 ( -5.218 -7.308 -3.029) 9.477 20.328 ( 5.218 -7.308 -3.029) 9.477 20.695 ( -1.323 2.801 0.470) 3.133 20.695 ( 1.323 2.801 0.470) 3.133 20.888 ( -4.464 -0.872 -1.087) 4.676 20.888 ( 4.464 -0.872 -1.087) 4.676 21.546 ( -2.379 2.016 3.032) 4.349 21.546 ( 2.379 2.016 3.032) 4.349 21.903 ( -4.399 -0.974 -1.533) 4.759 21.903 ( 4.399 -0.974 -1.533) 4.759 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 26.907 18.075) 32.414 1.461 ( 0.000 27.329 17.225) 32.305 2.269 ( 0.000 -6.137 17.648) 18.685 2.409 ( 0.000 -16.031 5.039) 16.805 2.491 ( 0.000 26.786 13.382) 29.943 2.656 ( 0.000 8.182 -10.175) 13.056 2.791 ( 0.000 10.590 -10.255) 14.741 3.010 ( 0.000 -1.523 -3.172) 3.519 3.256 ( 0.000 -14.989 0.991) 15.022 3.660 ( 0.000 -3.822 1.638) 4.158 3.715 ( 0.000 -2.389 0.447) 2.431 3.781 ( 0.000 -2.877 1.782) 3.385 3.978 ( 0.000 -6.499 0.008) 6.499 4.158 ( 0.000 -8.190 3.680) 8.979 4.249 ( 0.000 5.173 -7.796) 9.356 4.404 ( 0.000 0.823 4.524) 4.598 4.510 ( 0.000 -1.942 -0.614) 2.037 4.551 ( 0.000 -1.807 -3.047) 3.543 4.744 ( 0.000 -3.882 -1.742) 4.255 4.830 ( 0.000 0.783 0.139) 0.795 4.896 ( 0.000 4.622 -4.813) 6.673 5.042 ( 0.000 5.560 0.332) 5.570 5.133 ( 0.000 -1.850 -1.137) 2.172 5.184 ( 0.000 7.070 -4.412) 8.333 5.494 ( 0.000 1.604 -1.481) 2.183 5.586 ( 0.000 4.406 -2.650) 5.141 5.737 ( 0.000 0.990 -4.598) 4.703 5.780 ( 0.000 -2.973 0.935) 3.116 5.910 ( 0.000 0.590 -7.334) 7.358 5.954 ( 0.000 -0.905 -2.225) 2.402 6.122 ( 0.000 -4.832 -6.198) 7.859 6.159 ( 0.000 -8.531 -5.785) 10.307 6.333 ( 0.000 3.800 -1.494) 4.083 6.424 ( 0.000 1.461 0.827) 1.679 6.467 ( 0.000 -1.605 -2.584) 3.041 6.548 ( 0.000 -1.622 -0.274) 1.645 6.962 ( 0.000 7.469 5.008) 8.993 6.997 ( 0.000 7.630 -0.470) 7.645 7.198 ( 0.000 -2.588 4.065) 4.819 7.298 ( 0.000 -7.326 2.140) 7.632 7.541 ( 0.000 3.947 4.705) 6.141 7.720 ( 0.000 -1.973 0.497) 2.035 7.922 ( 0.000 -3.842 2.707) 4.700 7.957 ( 0.000 -5.865 4.542) 7.418 8.014 ( 0.000 -1.087 1.173) 1.599 8.124 ( 0.000 -3.627 2.916) 4.654 8.236 ( 0.000 4.043 0.389) 4.061 8.464 ( 0.000 -7.139 -0.175) 7.141 8.665 ( 0.000 3.044 4.110) 5.115 8.894 ( 0.000 -8.177 2.044) 8.429 9.115 ( 0.000 3.107 -5.876) 6.647 9.174 ( 0.000 -0.197 -4.311) 4.315 9.541 ( 0.000 1.366 2.190) 2.581 9.571 ( 0.000 -0.107 1.858) 1.861 9.720 ( 0.000 3.393 -2.046) 3.963 9.808 ( 0.000 -1.452 -0.561) 1.557 9.848 ( 0.000 1.617 0.283) 1.642 9.973 ( 0.000 -4.383 -1.564) 4.653 10.024 ( 0.000 2.485 -1.032) 2.691 10.099 ( 0.000 -1.242 -1.533) 1.973 10.767 ( 0.000 6.839 -1.766) 7.064 10.802 ( 0.000 9.244 -3.274) 9.807 11.013 ( 0.000 -4.696 1.870) 5.055 11.182 ( 0.000 -8.737 -1.466) 8.859 12.163 ( 0.000 0.378 10.185) 10.192 12.306 ( 0.000 -4.831 8.474) 9.754 12.546 ( 0.000 0.497 0.064) 0.502 12.554 ( 0.000 0.053 -0.016) 0.055 12.887 ( 0.000 4.918 7.058) 8.602 13.147 ( 0.000 -6.364 0.387) 6.375 13.658 ( 0.000 4.700 -8.209) 9.460 13.823 ( 0.000 -1.882 -11.446) 11.599 14.242 ( 0.000 3.611 8.929) 9.632 14.445 ( 0.000 -5.214 9.867) 11.160 14.692 ( 0.000 4.179 -3.591) 5.510 14.792 ( 0.000 -1.361 -0.811) 1.584 14.930 ( 0.000 5.913 -0.635) 5.947 15.063 ( 0.000 -0.999 -2.317) 2.523 15.677 ( 0.000 2.308 -0.082) 2.309 15.778 ( 0.000 -3.044 -3.570) 4.692 16.140 ( 0.000 1.750 -0.902) 1.969 16.289 ( 0.000 -2.446 0.416) 2.481 16.416 ( 0.000 -4.971 2.076) 5.387 16.553 ( 0.000 -6.841 0.009) 6.841 17.023 ( 0.000 5.559 0.034) 5.559 17.048 ( 0.000 2.803 -0.259) 2.815 17.396 ( 0.000 -2.283 1.632) 2.806 17.487 ( 0.000 -6.912 -1.813) 7.146 17.878 ( 0.000 4.609 6.158) 7.692 18.097 ( 0.000 -5.993 0.470) 6.011 18.388 ( 0.000 6.782 -0.280) 6.788 18.569 ( 0.000 0.391 -4.278) 4.296 18.869 ( 0.000 1.585 0.426) 1.641 18.954 ( 0.000 -1.706 1.992) 2.622 19.027 ( 0.000 0.868 -0.522) 1.013 19.044 ( 0.000 0.609 -1.132) 1.286 19.513 ( 0.000 7.593 2.088) 7.875 19.790 ( 0.000 -2.901 2.758) 4.003 20.015 ( 0.000 4.638 -9.230) 10.330 20.187 ( 0.000 -1.730 -5.510) 5.776 20.616 ( 0.000 8.336 3.782) 9.154 20.832 ( 0.000 -2.649 1.495) 3.042 21.047 ( 0.000 2.847 -8.767) 9.218 21.130 ( 0.000 -0.221 -8.402) 8.405 21.559 ( 0.000 -0.709 3.366) 3.440 21.594 ( 0.000 -2.773 4.610) 5.380 22.147 ( 0.000 -1.139 2.597) 2.836 22.224 ( 0.000 -4.035 0.232) 4.042 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 8.042 26.258 15.335) 31.454 1.577 ( 12.483 22.968 17.654) 31.544 2.314 ( 4.097 -13.001 14.957) 20.237 2.480 ( 6.374 -16.366 4.771) 18.200 2.648 ( 12.281 17.099 3.370) 21.320 2.712 ( 8.154 12.051 -8.468) 16.835 2.881 ( 7.889 9.485 -5.672) 13.578 3.058 ( 6.130 1.797 -2.033) 6.704 3.290 ( 3.177 -13.956 -0.074) 14.313 3.603 ( -4.261 -2.819 2.194) 5.560 3.704 ( -2.479 -1.438 3.578) 4.584 3.810 ( 2.513 -5.991 -1.728) 6.722 3.969 ( 0.129 -1.640 -0.428) 1.700 4.172 ( 0.043 -1.983 0.036) 1.984 4.236 ( -2.115 3.323 -3.443) 5.232 4.359 ( -3.413 1.141 2.688) 4.492 4.479 ( -2.666 -4.914 -0.082) 5.591 4.554 ( 0.074 -1.307 -2.398) 2.732 4.733 ( -0.646 -2.559 -1.112) 2.864 4.819 ( -2.245 0.379 0.740) 2.394 4.878 ( -0.949 3.088 -5.103) 6.039 4.958 ( -6.669 1.985 -0.660) 6.989 5.139 ( -0.371 5.019 1.005) 5.132 5.205 ( 1.560 5.482 -4.098) 7.020 5.484 ( -0.013 -0.482 1.024) 1.132 5.599 ( -0.159 5.027 -4.514) 6.758 5.685 ( -3.995 5.120 -5.129) 8.276 5.802 ( 1.435 -4.111 -0.638) 4.401 5.859 ( -2.911 -0.326 -3.966) 4.930 5.983 ( -1.202 0.452 -2.018) 2.392 6.087 ( 0.567 -6.186 -4.437) 7.634 6.132 ( -1.289 -5.453 -3.513) 6.613 6.311 ( -3.667 0.791 1.826) 4.172 6.378 ( -4.041 -2.363 -1.015) 4.790 6.487 ( 0.011 -0.082 1.006) 1.009 6.566 ( 2.483 -1.330 -1.816) 3.351 6.968 ( -0.410 7.374 2.745) 7.879 7.023 ( 1.033 7.093 -1.947) 7.427 7.169 ( -3.239 -1.443 1.846) 3.998 7.315 ( 1.293 -7.948 -1.482) 8.188 7.549 ( 1.259 2.223 6.961) 7.415 7.707 ( -1.176 -2.389 1.959) 3.306 7.888 ( -2.787 -3.319 1.278) 4.519 7.899 ( -3.654 -4.549 2.596) 6.386 8.046 ( 2.053 1.192 2.511) 3.456 8.130 ( 0.588 -0.897 3.030) 3.214 8.283 ( 3.648 0.343 1.060) 3.815 8.453 ( -1.152 -7.002 0.418) 7.109 8.665 ( 0.664 2.856 1.817) 3.450 8.883 ( -2.627 -6.083 1.162) 6.728 9.003 ( -8.346 2.314 -3.100) 9.199 9.102 ( -6.579 -3.454 -1.778) 7.640 9.501 ( -0.444 2.508 2.817) 3.798 9.589 ( -0.203 -1.106 1.291) 1.712 9.766 ( -1.377 2.811 -3.183) 4.464 9.790 ( 2.729 1.623 -2.356) 3.953 9.911 ( 5.780 0.318 -0.438) 5.805 9.995 ( 1.491 -0.295 -1.925) 2.453 10.082 ( 5.658 -1.058 -1.105) 5.861 10.150 ( 4.878 -2.434 -0.745) 5.503 10.842 ( 6.258 7.448 -0.133) 9.729 10.870 ( 8.256 7.721 -2.027) 11.485 11.144 ( 10.599 -4.138 -1.603) 11.490 11.250 ( 6.984 -7.715 -2.177) 10.632 12.171 ( 0.951 0.100 10.173) 10.217 12.291 ( -0.889 -4.185 8.320) 9.355 12.550 ( 0.694 1.218 0.076) 1.404 12.579 ( 1.927 -0.661 -0.383) 2.073 12.916 ( 2.684 7.074 6.259) 9.820 13.173 ( 2.517 -5.952 0.726) 6.503 13.597 ( -5.729 3.455 -6.628) 9.417 13.768 ( -5.455 -3.836 -10.339) 12.304 14.229 ( -1.416 3.336 7.591) 8.411 14.381 ( -5.198 -2.923 7.691) 9.732 14.597 ( -5.620 6.557 -3.229) 9.220 14.737 ( -5.157 -1.394 -2.190) 5.774 14.978 ( 1.691 2.140 2.137) 3.465 15.059 ( -0.626 -0.677 -0.516) 1.056 15.599 ( -7.190 4.318 -0.023) 8.387 15.788 ( -0.540 -5.100 -5.126) 7.251 16.131 ( 0.187 2.848 -0.226) 2.863 16.235 ( -3.346 -0.146 0.295) 3.362 16.472 ( 3.009 -4.590 2.139) 5.891 16.595 ( 4.118 -8.196 -0.358) 9.179 17.071 ( 3.386 2.932 -0.408) 4.498 17.118 ( 7.722 2.575 -0.421) 8.150 17.424 ( 2.739 -1.534 1.470) 3.466 17.546 ( 5.050 -5.903 -2.322) 8.108 17.897 ( 1.820 5.688 4.812) 7.669 18.128 ( 3.060 -6.230 -0.510) 6.960 18.389 ( -0.068 5.547 0.290) 5.555 18.566 ( -0.352 -0.739 -3.427) 3.523 18.821 ( -4.187 1.662 0.898) 4.594 18.909 ( -3.666 1.317 -0.055) 3.896 18.969 ( -2.360 -0.717 1.584) 2.931 19.078 ( -0.106 -3.773 -1.243) 3.974 19.555 ( 3.543 8.113 2.224) 9.129 19.802 ( 1.506 -1.596 1.618) 2.726 20.031 ( 0.877 2.800 -5.677) 6.390 20.199 ( 1.497 -2.417 -6.220) 6.839 20.621 ( 0.525 7.782 3.533) 8.562 20.823 ( -0.797 -1.914 1.733) 2.703 21.025 ( -2.702 3.100 -7.703) 8.732 21.116 ( -1.130 -0.980 -8.273) 8.407 21.552 ( -0.516 -1.276 3.166) 3.452 21.573 ( -2.055 -2.764 5.207) 6.243 22.086 ( -4.201 2.587 2.748) 5.647 22.239 ( -0.448 -5.477 -1.626) 5.731 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 16.439 16.991 12.555) 26.769 1.881 ( 18.056 17.943 13.201) 28.674 2.412 ( 5.953 -13.737 10.183) 18.106 2.601 ( 5.691 -15.253 3.886) 16.738 2.809 ( 6.211 3.410 -10.852) 12.960 2.886 ( 5.804 3.601 -7.314) 10.008 3.117 ( 14.589 1.960 -1.584) 14.805 3.262 ( 11.448 5.518 1.244) 12.769 3.354 ( 4.876 -3.557 -1.620) 6.250 3.532 ( -2.212 -2.714 3.340) 4.839 3.639 ( -3.399 -1.260 5.007) 6.182 3.842 ( 0.735 -7.355 -3.338) 8.110 3.981 ( -1.934 5.984 -2.781) 6.876 4.126 ( -2.646 1.932 3.629) 4.889 4.190 ( -0.860 5.020 -4.666) 6.907 4.288 ( -5.039 1.400 1.661) 5.487 4.440 ( -2.359 -4.302 -1.973) 5.288 4.530 ( -3.091 -2.652 -2.475) 4.766 4.703 ( -4.021 3.959 2.089) 6.017 4.744 ( -1.730 0.995 -0.446) 2.045 4.869 ( -0.367 0.732 0.000) 0.819 4.889 ( 0.083 -1.150 -1.280) 1.722 5.106 ( -1.246 2.327 3.840) 4.660 5.251 ( 2.553 5.464 -5.123) 7.913 5.490 ( -0.032 2.426 2.745) 3.664 5.523 ( -5.745 7.361 -8.034) 12.318 5.671 ( 1.230 4.459 -1.645) 4.910 5.768 ( -3.245 -0.607 -0.986) 3.446 5.868 ( 2.778 -2.316 2.908) 4.641 5.964 ( -0.241 -0.783 -0.777) 1.129 6.070 ( -1.875 -5.581 -0.583) 5.917 6.168 ( 3.095 -3.667 -2.329) 5.334 6.217 ( -4.927 -2.376 1.272) 5.615 6.304 ( -2.976 -4.563 2.271) 5.902 6.483 ( -0.989 0.492 -0.345) 1.157 6.550 ( -5.193 -1.479 -0.001) 5.399 6.917 ( -4.291 6.790 -3.380) 8.714 7.019 ( -1.117 4.281 -2.496) 5.080 7.098 ( -3.417 -1.659 -1.792) 4.200 7.297 ( -3.759 -6.812 -3.516) 8.538 7.601 ( 3.768 0.224 7.015) 7.966 7.692 ( 0.294 -2.502 4.755) 5.381 7.841 ( -1.288 -0.777 0.610) 1.623 7.873 ( 0.840 -1.368 -0.104) 1.609 8.069 ( -0.315 1.365 3.367) 3.647 8.150 ( 2.063 0.868 2.265) 3.184 8.337 ( 1.193 -1.494 0.751) 2.054 8.430 ( -1.437 -5.726 1.057) 5.998 8.669 ( -2.091 0.850 -1.138) 2.527 8.771 ( -6.999 0.432 0.491) 7.029 8.868 ( -5.070 -2.744 0.087) 5.765 8.995 ( -4.146 -7.114 -1.246) 8.328 9.530 ( 2.692 2.329 1.989) 4.078 9.586 ( 0.479 0.620 1.063) 1.321 9.723 ( -1.939 4.392 -2.745) 5.531 9.818 ( -0.116 1.203 -3.703) 3.895 10.031 ( 5.547 0.903 -0.642) 5.657 10.063 ( 5.440 -0.005 0.207) 5.444 10.198 ( 6.562 -1.761 -1.858) 7.044 10.258 ( 5.935 -3.575 -1.066) 7.010 10.987 ( 8.179 7.339 1.269) 11.062 11.060 ( 10.015 6.568 -0.851) 12.007 11.325 ( 7.957 -3.109 -1.721) 8.715 11.417 ( 8.744 -5.491 -4.528) 11.275 12.206 ( 2.826 0.150 9.501) 9.913 12.295 ( 1.702 -3.378 6.891) 7.861 12.567 ( 0.680 1.554 -0.117) 1.701 12.614 ( 1.897 -0.335 -0.477) 1.985 12.973 ( 3.014 10.318 3.796) 11.400 13.217 ( 0.816 -1.912 0.177) 2.086 13.478 ( -5.516 -1.270 -2.917) 6.368 13.653 ( -5.094 -9.003 -5.861) 11.889 14.202 ( -0.717 3.719 4.406) 5.809 14.313 ( -1.886 -0.838 2.600) 3.319 14.504 ( -4.619 5.396 -1.505) 7.261 14.633 ( -5.169 -1.377 -2.893) 6.081 14.959 ( -3.226 1.806 4.264) 5.643 15.033 ( -2.087 -1.844 2.590) 3.803 15.440 ( -8.833 7.024 -1.265) 11.356 15.708 ( -8.010 -6.724 -8.100) 13.228 16.144 ( 1.684 2.530 1.502) 3.390 16.230 ( 2.259 -1.257 0.894) 2.735 16.505 ( 1.397 0.407 3.027) 3.358 16.697 ( 5.610 -8.544 -1.155) 10.286 17.163 ( 6.168 2.876 -0.624) 6.834 17.271 ( 7.405 -0.189 -1.063) 7.483 17.487 ( 3.555 0.160 0.118) 3.561 17.629 ( 2.952 -2.477 -1.274) 4.058 17.944 ( 3.216 7.445 2.950) 8.630 18.192 ( 2.704 -4.802 -2.344) 5.989 18.384 ( -0.211 0.235 1.867) 1.894 18.548 ( -1.576 -4.633 -2.191) 5.361 18.755 ( -2.131 2.660 1.883) 3.893 18.852 ( -2.157 2.915 -0.564) 3.670 18.943 ( -0.398 -3.558 1.328) 3.818 19.045 ( -2.724 -6.045 -1.275) 6.752 19.605 ( 1.279 8.926 2.224) 9.287 19.844 ( 2.077 -0.288 -1.565) 2.616 20.036 ( 0.113 1.680 -0.128) 1.688 20.240 ( 2.291 -4.436 -5.192) 7.202 20.635 ( 0.964 6.075 2.487) 6.635 20.804 ( -1.227 -0.578 1.242) 1.839 20.955 ( -3.908 3.661 -4.929) 7.278 21.083 ( -2.725 -3.150 -7.449) 8.534 21.523 ( -1.845 -0.818 5.109) 5.493 21.559 ( 0.581 -2.311 3.251) 4.031 22.009 ( -3.969 4.712 1.393) 6.316 22.190 ( -4.432 -4.888 -2.992) 7.245 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 19.706 7.382 7.590) 22.370 2.219 ( 16.344 11.924 8.904) 22.105 2.525 ( 4.696 -8.940 4.793) 11.178 2.689 ( 3.965 -8.804 1.762) 9.815 2.889 ( 4.173 3.849 -2.962) 6.403 3.001 ( 5.710 -3.742 -6.530) 9.447 3.229 ( -6.207 1.085 -7.752) 9.990 3.310 ( 3.607 -5.975 -4.098) 8.094 3.476 ( -1.208 -2.722 -0.506) 3.020 3.552 ( 2.309 -6.042 3.486) 7.347 3.675 ( 6.954 3.051 1.841) 7.813 3.835 ( -1.563 -2.775 -3.177) 4.498 3.893 ( -3.795 5.949 4.335) 8.282 4.039 ( -7.089 0.580 -1.432) 7.255 4.156 ( -5.894 1.358 0.278) 6.054 4.279 ( 3.467 9.133 -4.227) 10.644 4.347 ( -2.645 -1.157 -1.270) 3.154 4.469 ( -2.741 -0.033 -1.011) 2.921 4.666 ( 1.115 6.960 1.889) 7.298 4.751 ( 0.763 0.691 1.329) 1.681 4.864 ( 0.687 -1.528 3.769) 4.125 4.946 ( 4.418 -4.314 -0.237) 6.179 5.111 ( 1.701 2.242 2.950) 4.077 5.293 ( 1.365 1.680 -4.496) 4.990 5.435 ( -2.263 7.243 -2.663) 8.042 5.482 ( -0.101 8.505 3.515) 9.204 5.695 ( -0.106 3.214 -0.728) 3.297 5.723 ( -0.742 1.388 3.331) 3.684 5.900 ( -0.377 1.980 3.143) 3.734 5.949 ( -1.335 -2.381 1.466) 3.098 6.072 ( 0.854 -5.691 -2.745) 6.376 6.128 ( -1.937 -3.104 2.866) 4.648 6.222 ( 1.704 -3.895 -1.473) 4.499 6.262 ( -2.580 -4.967 1.616) 5.825 6.377 ( -9.198 -0.270 -0.397) 9.211 6.456 ( -3.292 -2.268 -1.715) 4.350 6.855 ( -1.504 3.428 -5.314) 6.500 6.984 ( -2.013 -0.907 -1.401) 2.615 7.055 ( -1.371 -0.141 -4.402) 4.613 7.197 ( -5.916 -3.920 -2.864) 7.653 7.663 ( 2.903 0.446 4.856) 5.676 7.745 ( 5.171 -1.602 4.657) 7.141 7.841 ( 0.867 0.302 -0.551) 1.071 7.907 ( 2.058 -1.718 0.324) 2.700 8.049 ( -1.314 2.248 4.295) 5.023 8.199 ( 2.566 0.596 0.752) 2.740 8.294 ( -6.050 -1.605 -0.433) 6.275 8.375 ( -4.581 -3.210 0.258) 5.600 8.570 ( -5.151 1.377 0.352) 5.344 8.696 ( -1.891 -3.065 1.176) 3.788 8.824 ( -0.589 -2.851 -1.879) 3.464 8.931 ( -2.711 -5.507 -1.924) 6.433 9.582 ( 2.263 2.706 1.095) 3.693 9.608 ( 1.912 3.081 0.534) 3.665 9.697 ( -0.974 5.137 -1.928) 5.573 9.805 ( -1.122 1.976 -3.246) 3.963 10.120 ( 4.187 0.449 0.847) 4.295 10.166 ( 4.619 -1.158 0.573) 4.797 10.320 ( 5.862 -2.201 -2.425) 6.714 10.364 ( 4.970 -3.658 -1.389) 6.325 11.127 ( 6.202 7.399 1.947) 9.849 11.212 ( 5.547 6.227 0.379) 8.348 11.447 ( 4.938 -3.090 -0.867) 5.889 11.539 ( 3.864 -4.663 -3.803) 7.151 12.277 ( 4.355 1.272 7.297) 8.593 12.357 ( 4.443 -2.513 4.161) 6.586 12.560 ( -1.227 2.100 0.122) 2.435 12.662 ( 2.657 -1.830 -0.819) 3.329 13.024 ( 2.139 9.547 0.866) 9.822 13.171 ( -3.960 6.667 -2.680) 8.204 13.442 ( 1.443 -8.294 2.366) 8.744 13.596 ( -1.548 -12.007 -1.091) 12.155 14.209 ( 1.174 3.253 1.656) 3.835 14.289 ( -0.883 0.295 0.608) 1.112 14.424 ( -3.377 4.850 -0.404) 5.924 14.545 ( -4.234 -1.237 -2.541) 5.091 14.889 ( -3.215 2.395 4.655) 6.143 14.985 ( -2.771 -2.519 3.327) 5.009 15.281 ( -7.411 6.411 -2.499) 10.112 15.518 ( -10.774 -5.376 -8.280) 14.613 16.203 ( 3.941 1.187 2.376) 4.753 16.278 ( 2.390 -2.563 3.224) 4.762 16.546 ( 2.839 3.574 1.135) 4.703 16.771 ( 1.640 -7.375 -2.338) 7.909 17.296 ( 7.232 1.579 -1.663) 7.587 17.389 ( 5.063 0.373 -1.461) 5.283 17.544 ( 2.025 0.078 -0.604) 2.114 17.669 ( 2.058 0.039 0.988) 2.283 18.020 ( 4.520 7.973 1.817) 9.343 18.206 ( -1.100 0.909 -2.463) 2.847 18.395 ( 1.391 -7.398 3.143) 8.157 18.525 ( -0.239 -8.253 -1.329) 8.363 18.732 ( -0.532 2.673 2.044) 3.407 18.824 ( -1.005 1.854 -0.118) 2.112 18.940 ( -0.458 -1.589 -0.170) 1.662 18.988 ( -3.209 -5.917 -1.514) 6.899 19.621 ( 1.103 9.637 1.900) 9.885 19.853 ( -1.195 4.825 -3.988) 6.373 20.047 ( 0.982 -2.759 3.038) 4.220 20.271 ( 0.591 -6.977 -3.118) 7.665 20.660 ( 1.688 3.749 1.052) 4.244 20.776 ( -1.563 0.971 -0.763) 1.992 20.896 ( -2.137 2.758 -2.097) 4.071 21.011 ( -4.513 -4.232 -4.952) 7.925 21.512 ( 0.807 1.441 4.846) 5.120 21.577 ( 1.171 -1.659 2.551) 3.261 21.933 ( -3.935 4.034 0.107) 5.637 22.085 ( -6.185 -3.761 -3.135) 7.888 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 8.377 5.633 2.226) 10.337 2.475 ( 6.957 2.019 4.053) 8.301 2.567 ( 6.409 3.521 2.466) 7.717 2.791 ( 5.657 -6.284 0.821) 8.494 2.988 ( 5.679 0.474 1.318) 5.849 3.085 ( -0.309 0.246 -6.814) 6.826 3.150 ( 3.225 -1.384 -7.714) 8.475 3.288 ( -5.203 -5.611 -1.798) 7.861 3.427 ( -1.774 0.290 1.625) 2.423 3.564 ( -2.072 -4.633 2.686) 5.743 3.693 ( -4.588 2.496 -0.423) 5.240 3.768 ( -6.176 1.426 1.274) 6.465 3.842 ( -1.214 -2.170 -1.493) 2.900 3.898 ( -3.886 -1.880 -0.318) 4.328 4.156 ( -3.840 4.730 -1.232) 6.216 4.212 ( 5.366 3.879 -0.780) 6.666 4.384 ( -3.849 0.278 -1.733) 4.230 4.477 ( 4.384 3.641 -1.937) 6.019 4.703 ( 1.089 0.762 2.544) 2.871 4.774 ( 2.424 0.670 1.147) 2.764 4.872 ( 0.201 -1.884 5.881) 6.179 4.991 ( -0.940 -1.835 2.573) 3.297 5.192 ( 6.560 0.363 -2.956) 7.204 5.299 ( 0.379 -1.110 -2.474) 2.738 5.447 ( 2.540 7.641 0.300) 8.058 5.532 ( 4.902 7.320 4.523) 9.903 5.656 ( -3.065 3.324 1.165) 4.669 5.717 ( -1.971 -0.516 4.525) 4.963 5.844 ( -2.413 5.279 2.022) 6.146 5.947 ( 1.199 2.369 -0.071) 2.656 6.068 ( -1.526 -4.499 -0.283) 4.759 6.112 ( -3.861 -1.538 0.927) 4.258 6.176 ( -3.671 -3.364 -1.085) 5.096 6.244 ( -1.363 -7.232 -0.194) 7.361 6.268 ( 1.355 -1.297 0.087) 1.878 6.400 ( -2.928 -2.769 -1.131) 4.186 6.863 ( 2.045 1.145 -3.974) 4.614 6.955 ( -1.301 -3.123 -1.052) 3.543 7.033 ( -0.873 -0.962 -4.059) 4.262 7.092 ( -4.784 -1.831 -2.821) 5.848 7.734 ( 4.572 1.756 2.676) 5.581 7.852 ( 3.178 0.825 1.456) 3.592 7.868 ( 3.441 -0.820 0.585) 3.586 7.942 ( 1.665 -1.822 2.865) 3.781 8.008 ( -2.811 1.058 4.216) 5.176 8.144 ( -8.148 -2.420 -0.915) 8.549 8.235 ( 0.519 -2.121 -0.030) 2.184 8.285 ( -3.823 -1.978 0.225) 4.310 8.524 ( 0.568 4.211 0.744) 4.314 8.661 ( -2.698 0.884 -1.292) 3.119 8.820 ( 0.499 -4.959 -1.782) 5.294 8.890 ( -1.878 -5.075 -2.391) 5.916 9.614 ( 1.477 4.763 0.833) 5.056 9.653 ( 1.681 4.888 -0.262) 5.175 9.684 ( 0.271 4.336 -1.279) 4.529 9.775 ( -2.025 2.555 -2.573) 4.153 10.190 ( 3.071 -0.660 1.388) 3.435 10.227 ( 1.694 -1.505 1.123) 2.529 10.412 ( 3.608 -2.582 -2.541) 5.113 10.438 ( 2.482 -3.395 -2.016) 4.664 11.219 ( 3.473 7.280 2.158) 8.350 11.272 ( 1.050 6.595 1.466) 6.837 11.518 ( 2.684 -4.115 -0.472) 4.936 11.572 ( 0.097 -4.845 -1.931) 5.217 12.360 ( 4.161 2.395 4.524) 6.596 12.435 ( 2.438 -0.412 2.242) 3.338 12.545 ( 0.733 0.748 0.314) 1.093 12.674 ( -2.090 -4.715 -1.496) 5.370 13.060 ( 2.660 9.546 0.305) 9.914 13.141 ( 0.108 8.616 -2.003) 8.847 13.485 ( 2.351 -10.917 2.569) 11.459 13.567 ( -1.872 -12.177 0.484) 12.330 14.236 ( 1.536 3.094 1.487) 3.761 14.280 ( -0.009 1.449 1.116) 1.829 14.381 ( -1.178 4.431 0.038) 4.585 14.464 ( -4.333 -0.036 -1.109) 4.473 14.860 ( 0.249 2.166 2.881) 3.613 14.935 ( -2.501 -0.708 2.279) 3.457 15.177 ( -2.841 2.454 -2.960) 4.780 15.326 ( -8.976 -4.044 -6.771) 11.949 16.273 ( 3.156 0.972 3.133) 4.552 16.314 ( 1.199 -0.658 4.762) 4.955 16.610 ( 3.873 1.315 -1.551) 4.374 16.759 ( -2.606 -5.408 -2.943) 6.686 17.405 ( 3.794 1.085 -2.015) 4.430 17.462 ( 1.785 5.832 -4.005) 7.297 17.586 ( 3.681 -5.299 2.570) 6.945 17.702 ( 0.535 -2.478 0.371) 2.562 18.099 ( 3.422 7.852 1.160) 8.644 18.177 ( -1.465 5.487 -0.866) 5.745 18.435 ( 2.948 -9.312 2.944) 10.202 18.530 ( -0.218 -9.400 0.772) 9.434 18.740 ( 1.564 1.431 0.939) 2.318 18.813 ( 0.042 1.653 -0.617) 1.765 18.897 ( -3.857 -1.018 -1.244) 4.179 18.933 ( -2.675 -3.135 -1.241) 4.304 19.661 ( 3.092 10.172 1.357) 10.717 19.807 ( -3.423 10.590 -1.948) 11.299 20.082 ( 3.019 -8.544 1.085) 9.126 20.247 ( -3.236 -9.493 -2.330) 10.297 20.699 ( 2.247 2.011 0.523) 3.060 20.754 ( -0.727 1.562 -1.250) 2.129 20.869 ( -0.785 1.467 -1.125) 2.009 20.927 ( -3.861 -2.923 -2.675) 5.533 21.547 ( 2.463 2.566 3.977) 5.336 21.597 ( 0.652 0.256 2.706) 2.795 21.872 ( -1.897 1.658 -0.968) 2.699 21.968 ( -5.828 -2.794 -2.694) 7.002 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -1.664 6.094 1.640) 6.526 2.467 ( 1.664 6.094 1.640) 6.526 2.791 ( -8.542 -3.172 -1.882) 9.304 2.791 ( 8.542 -3.172 -1.882) 9.304 3.058 ( -5.783 1.279 -0.286) 5.930 3.058 ( 5.783 1.279 -0.286) 5.930 3.219 ( -6.028 -3.802 -3.340) 7.871 3.219 ( 6.028 -3.802 -3.340) 7.871 3.465 ( -6.009 0.358 1.269) 6.152 3.465 ( 6.009 0.358 1.269) 6.152 3.656 ( -3.421 0.110 2.411) 4.186 3.656 ( 3.421 0.110 2.411) 4.186 3.853 ( -3.413 0.939 -1.793) 3.968 3.853 ( 3.413 0.939 -1.793) 3.968 4.183 ( -6.525 -0.601 0.359) 6.563 4.183 ( 6.525 -0.601 0.359) 6.563 4.440 ( -6.895 4.354 -1.813) 8.354 4.440 ( 6.895 4.354 -1.813) 8.354 4.756 ( -3.927 -1.920 -0.838) 4.451 4.756 ( 3.927 -1.920 -0.838) 4.451 4.927 ( -4.695 0.023 6.251) 7.818 4.927 ( 4.695 0.023 6.251) 7.818 5.294 ( -2.652 -2.919 -3.821) 5.491 5.294 ( 2.652 -2.919 -3.821) 5.491 5.525 ( -5.540 5.724 1.568) 8.119 5.525 ( 5.540 5.724 1.568) 8.119 5.654 ( -3.673 2.269 4.185) 6.013 5.654 ( 3.673 2.269 4.185) 6.013 5.906 ( -7.145 4.826 1.228) 8.709 5.906 ( 7.145 4.826 1.228) 8.709 6.032 ( -1.791 -1.474 0.004) 2.320 6.032 ( 1.791 -1.474 0.004) 2.320 6.200 ( -2.835 -3.575 -0.238) 4.569 6.200 ( 2.835 -3.575 -0.238) 4.569 6.333 ( -4.025 -3.864 -0.348) 5.590 6.333 ( 4.025 -3.864 -0.348) 5.590 6.916 ( -2.927 -1.678 -2.295) 4.081 6.916 ( 2.927 -1.678 -2.295) 4.081 7.032 ( -1.218 -1.375 -3.040) 3.552 7.032 ( 1.218 -1.375 -3.040) 3.552 7.824 ( -4.332 1.701 0.931) 4.747 7.824 ( 4.332 1.701 0.931) 4.747 7.944 ( -3.837 0.261 2.266) 4.464 7.944 ( 3.837 0.261 2.266) 4.464 8.017 ( -5.377 -2.019 2.232) 6.162 8.017 ( 5.377 -2.019 2.232) 6.162 8.238 ( -1.276 -3.893 0.069) 4.098 8.238 ( 1.276 -3.893 0.069) 4.098 8.584 ( -4.710 5.516 -1.122) 7.340 8.584 ( 4.710 5.516 -1.122) 7.340 8.850 ( -2.239 -5.924 -2.293) 6.735 8.850 ( 2.239 -5.924 -2.293) 6.735 9.643 ( -1.446 6.252 0.255) 6.422 9.643 ( 1.446 6.252 0.255) 6.422 9.728 ( -2.886 2.695 -1.802) 4.340 9.728 ( 2.886 2.695 -1.802) 4.340 10.232 ( -1.107 -1.322 1.446) 2.250 10.232 ( 1.107 -1.322 1.446) 2.250 10.454 ( -0.748 -2.996 -2.455) 3.945 10.454 ( 0.748 -2.996 -2.455) 3.945 11.265 ( -1.489 6.939 2.041) 7.385 11.265 ( 1.489 6.939 2.041) 7.385 11.557 ( -1.504 -4.797 -0.782) 5.088 11.557 ( 1.504 -4.797 -0.782) 5.088 12.426 ( -2.522 2.454 2.672) 4.418 12.426 ( 2.522 2.454 2.672) 4.418 12.603 ( -4.363 -3.191 -0.744) 5.457 12.603 ( 4.363 -3.191 -0.744) 5.457 13.121 ( -2.682 8.902 -0.330) 9.303 13.121 ( 2.682 8.902 -0.330) 9.303 13.527 ( -2.184 -12.196 0.952) 12.426 13.527 ( 2.184 -12.196 0.952) 12.426 14.268 ( -1.594 2.782 2.102) 3.834 14.268 ( 1.594 2.782 2.102) 3.834 14.392 ( -2.597 2.283 -0.295) 3.470 14.392 ( 2.597 2.283 -0.295) 3.470 14.888 ( -2.312 1.691 1.759) 3.362 14.888 ( 2.312 1.691 1.759) 3.362 15.193 ( -4.437 -2.091 -4.581) 6.711 15.193 ( 4.437 -2.091 -4.581) 6.711 16.316 ( -1.132 0.940 4.262) 4.508 16.316 ( 1.132 0.940 4.262) 4.508 16.689 ( -4.242 -2.627 -2.825) 5.734 16.689 ( 4.242 -2.627 -2.825) 5.734 17.455 ( -1.764 3.934 -2.330) 4.901 17.455 ( 1.764 3.934 -2.330) 4.901 17.670 ( -3.793 -5.414 0.532) 6.632 17.670 ( 3.793 -5.414 0.532) 6.632 18.148 ( -1.842 7.309 0.682) 7.568 18.148 ( 1.842 7.309 0.682) 7.568 18.497 ( -2.996 -8.986 2.402) 9.772 18.497 ( 2.996 -8.986 2.402) 9.772 18.789 ( -3.226 1.720 -0.959) 3.779 18.789 ( 3.226 1.720 -0.959) 3.779 18.876 ( -2.633 -1.883 -0.925) 3.367 18.876 ( 2.633 -1.883 -0.925) 3.367 19.732 ( -4.121 11.177 0.315) 11.916 19.732 ( 4.121 11.177 0.315) 11.916 20.162 ( -4.988 -10.300 -1.404) 11.530 20.162 ( 4.988 -10.300 -1.404) 11.530 20.736 ( -1.439 1.413 0.098) 2.019 20.736 ( 1.439 1.413 0.098) 2.019 20.874 ( -1.552 -0.453 -1.775) 2.401 20.874 ( 1.552 -0.453 -1.775) 2.401 21.589 ( -1.551 2.292 3.314) 4.318 21.589 ( 1.551 2.292 3.314) 4.318 21.880 ( -2.841 -1.269 -2.007) 3.703 21.880 ( 2.841 -1.269 -2.007) 3.703 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 -10.786 14.571) 18.129 1.866 ( 0.000 10.786 14.571) 18.129 2.005 ( 0.000 -13.320 13.090) 18.675 2.005 ( 0.000 13.320 13.090) 18.675 2.831 ( 0.000 -7.361 -9.062) 11.675 2.831 ( 0.000 7.361 -9.062) 11.675 2.971 ( 0.000 -16.354 -6.164) 17.477 2.971 ( 0.000 16.354 -6.164) 17.477 3.313 ( 0.000 -30.113 6.651) 30.839 3.313 ( 0.000 30.113 6.651) 30.839 3.720 ( 0.000 -2.023 3.827) 4.328 3.720 ( 0.000 2.023 3.827) 4.328 3.990 ( 0.000 -6.569 2.844) 7.158 3.990 ( 0.000 6.569 2.844) 7.158 4.402 ( 0.000 -6.497 -7.239) 9.727 4.402 ( 0.000 6.497 -7.239) 9.727 4.456 ( 0.000 -2.843 0.650) 2.916 4.456 ( 0.000 2.843 0.650) 2.916 4.781 ( 0.000 -4.508 1.305) 4.693 4.781 ( 0.000 4.508 1.305) 4.693 4.983 ( 0.000 -5.016 4.171) 6.524 4.983 ( 0.000 5.016 4.171) 6.524 5.267 ( 0.000 -4.157 -10.676) 11.457 5.267 ( 0.000 4.157 -10.676) 11.457 5.541 ( 0.000 -5.400 -0.121) 5.402 5.541 ( 0.000 5.400 -0.121) 5.402 5.761 ( 0.000 -1.154 -5.575) 5.693 5.761 ( 0.000 1.154 -5.575) 5.693 5.901 ( 0.000 -2.056 -2.214) 3.022 5.901 ( 0.000 2.056 -2.214) 3.022 6.078 ( 0.000 -2.268 -4.146) 4.726 6.078 ( 0.000 2.268 -4.146) 4.726 6.419 ( 0.000 -3.706 -0.930) 3.821 6.419 ( 0.000 3.706 -0.930) 3.821 6.480 ( 0.000 -4.283 0.079) 4.284 6.480 ( 0.000 4.283 0.079) 4.284 7.070 ( 0.000 -3.160 2.856) 4.259 7.070 ( 0.000 3.160 2.856) 4.259 7.189 ( 0.000 -2.953 2.506) 3.873 7.189 ( 0.000 2.953 2.506) 3.873 7.639 ( 0.000 -6.198 2.897) 6.841 7.639 ( 0.000 6.198 2.897) 6.841 7.882 ( 0.000 -1.606 1.509) 2.204 7.882 ( 0.000 1.606 1.509) 2.204 8.054 ( 0.000 -3.514 1.710) 3.908 8.054 ( 0.000 3.514 1.710) 3.908 8.337 ( 0.000 -6.507 0.470) 6.524 8.337 ( 0.000 6.507 0.470) 6.524 8.755 ( 0.000 -6.448 3.433) 7.305 8.755 ( 0.000 6.448 3.433) 7.305 9.155 ( 0.000 -1.696 -5.675) 5.923 9.155 ( 0.000 1.696 -5.675) 5.923 9.563 ( 0.000 -0.885 2.595) 2.742 9.563 ( 0.000 0.885 2.595) 2.742 9.777 ( 0.000 -2.313 -1.822) 2.945 9.777 ( 0.000 2.313 -1.822) 2.945 9.896 ( 0.000 -3.640 -0.579) 3.685 9.896 ( 0.000 3.640 -0.579) 3.685 10.066 ( 0.000 -2.161 -1.087) 2.419 10.066 ( 0.000 2.161 -1.087) 2.419 10.875 ( 0.000 -4.059 -0.964) 4.172 10.875 ( 0.000 4.059 -0.964) 4.172 11.018 ( 0.000 -7.937 -1.156) 8.021 11.018 ( 0.000 7.937 -1.156) 8.021 12.216 ( 0.000 -4.475 8.722) 9.803 12.216 ( 0.000 4.475 8.722) 9.803 12.552 ( 0.000 -0.231 0.211) 0.313 12.552 ( 0.000 0.231 0.211) 0.313 13.013 ( 0.000 -7.744 2.462) 8.126 13.013 ( 0.000 7.744 2.462) 8.126 13.751 ( 0.000 -5.093 -10.049) 11.266 13.751 ( 0.000 5.093 -10.049) 11.266 14.338 ( 0.000 -6.008 10.001) 11.667 14.338 ( 0.000 6.008 10.001) 11.667 14.755 ( 0.000 -2.672 -1.699) 3.167 14.755 ( 0.000 2.672 -1.699) 3.167 15.021 ( 0.000 -3.685 -1.258) 3.894 15.021 ( 0.000 3.685 -1.258) 3.894 15.724 ( 0.000 -2.752 -2.448) 3.683 15.724 ( 0.000 2.752 -2.448) 3.683 16.203 ( 0.000 -4.891 1.613) 5.151 16.203 ( 0.000 4.891 1.613) 5.151 16.435 ( 0.000 -4.992 -1.385) 5.180 16.435 ( 0.000 4.992 -1.385) 5.180 17.079 ( 0.000 -0.255 -0.198) 0.323 17.079 ( 0.000 0.255 -0.198) 0.323 17.396 ( 0.000 -2.596 -0.217) 2.605 17.396 ( 0.000 2.596 -0.217) 2.605 17.979 ( 0.000 -6.255 3.801) 7.319 17.979 ( 0.000 6.255 3.801) 7.319 18.510 ( 0.000 -5.699 -3.177) 6.524 18.510 ( 0.000 5.699 -3.177) 6.524 18.913 ( 0.000 -2.549 1.610) 3.015 18.913 ( 0.000 2.549 1.610) 3.015 19.043 ( 0.000 -0.600 -0.296) 0.669 19.043 ( 0.000 0.600 -0.296) 0.669 19.668 ( 0.000 -8.502 4.405) 9.575 19.668 ( 0.000 8.502 4.405) 9.575 20.116 ( 0.000 -5.366 -6.540) 8.459 20.116 ( 0.000 5.366 -6.540) 8.459 20.751 ( 0.000 -6.016 2.485) 6.509 20.751 ( 0.000 6.016 2.485) 6.509 21.102 ( 0.000 -2.590 -8.951) 9.318 21.102 ( 0.000 2.590 -8.951) 9.318 21.561 ( 0.000 -0.937 3.869) 3.981 21.561 ( 0.000 0.937 3.869) 3.981 22.161 ( 0.000 -2.407 0.717) 2.512 22.161 ( 0.000 2.407 0.717) 2.512 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 7.016 -13.638 15.007) 21.458 1.943 ( 7.016 13.638 15.007) 21.458 2.064 ( 6.208 -17.823 11.183) 21.938 2.064 ( 6.208 17.823 11.183) 21.938 2.849 ( 2.060 -7.461 -9.902) 12.569 2.849 ( 2.060 7.461 -9.902) 12.569 3.030 ( 5.785 -13.205 -6.726) 15.908 3.030 ( 5.785 13.205 -6.726) 15.908 3.376 ( 5.992 -22.176 5.574) 23.638 3.376 ( 5.992 22.176 5.574) 23.638 3.699 ( -2.018 -1.852 4.767) 5.498 3.699 ( -2.018 1.852 4.767) 5.498 4.050 ( 5.503 -7.733 0.551) 9.507 4.050 ( 5.503 7.733 0.551) 9.507 4.351 ( -5.180 -5.563 -0.474) 7.616 4.351 ( -5.180 5.563 -0.474) 7.616 4.445 ( -0.551 -6.770 -4.295) 8.037 4.445 ( -0.551 6.770 -4.295) 8.037 4.775 ( -0.674 -4.404 1.139) 4.599 4.775 ( -0.674 4.404 1.139) 4.599 4.932 ( -4.356 -3.244 2.758) 6.092 4.932 ( -4.356 3.244 2.758) 6.092 5.273 ( -1.010 -3.838 -7.819) 8.768 5.273 ( -1.010 3.838 -7.819) 8.768 5.527 ( 0.965 -8.304 0.257) 8.364 5.527 ( 0.965 8.304 0.257) 8.364 5.784 ( 0.518 -4.896 -3.535) 6.061 5.784 ( 0.518 4.896 -3.535) 6.061 5.878 ( -3.230 -8.223 -5.420) 10.364 5.878 ( -3.230 8.223 -5.420) 10.364 6.057 ( 0.539 -3.406 -1.279) 3.678 6.057 ( 0.539 3.406 -1.279) 3.678 6.349 ( -6.161 -1.995 1.582) 6.666 6.349 ( -6.161 1.995 1.582) 6.666 6.514 ( 1.969 -3.178 -0.485) 3.769 6.514 ( 1.969 3.178 -0.485) 3.769 7.078 ( -0.610 -3.069 2.237) 3.846 7.078 ( -0.610 3.069 2.237) 3.846 7.191 ( -0.219 -4.866 -1.562) 5.115 7.191 ( -0.219 4.866 -1.562) 5.115 7.623 ( -0.974 -5.528 4.904) 7.453 7.623 ( -0.974 5.528 4.904) 7.453 7.853 ( -1.558 -1.366 -0.211) 2.083 7.853 ( -1.558 1.366 -0.211) 2.083 8.088 ( 2.351 -2.988 3.167) 4.948 8.088 ( 2.351 2.988 3.167) 4.948 8.339 ( 0.150 -5.129 0.432) 5.149 8.339 ( 0.150 5.129 0.432) 5.149 8.757 ( 0.101 -6.631 2.347) 7.034 8.757 ( 0.101 6.631 2.347) 7.034 9.049 ( -9.276 -2.548 -3.374) 10.194 9.049 ( -9.276 2.548 -3.374) 10.194 9.552 ( -0.194 -2.702 2.705) 3.828 9.552 ( -0.194 2.702 2.705) 3.828 9.801 ( 0.888 -0.832 -3.203) 3.426 9.801 ( 0.888 0.832 -3.203) 3.426 9.948 ( 4.865 -3.454 -2.051) 6.309 9.948 ( 4.865 3.454 -2.051) 6.309 10.102 ( 3.895 -2.530 0.152) 4.647 10.102 ( 3.895 2.530 0.152) 4.647 10.945 ( 6.734 -1.972 -0.108) 7.017 10.945 ( 6.734 1.972 -0.108) 7.017 11.123 ( 9.759 -4.291 -2.546) 10.960 11.123 ( 9.759 4.291 -2.546) 10.960 12.214 ( 0.119 -3.825 8.675) 9.481 12.214 ( 0.119 3.825 8.675) 9.481 12.567 ( 1.401 -0.736 -0.139) 1.589 12.567 ( 1.401 0.736 -0.139) 1.589 13.052 ( 3.828 -7.217 2.795) 8.634 13.052 ( 3.828 7.217 2.795) 8.634 13.678 ( -7.266 -5.169 -8.609) 12.395 13.678 ( -7.266 5.169 -8.609) 12.395 14.308 ( -2.474 -4.594 8.025) 9.572 14.308 ( -2.474 4.594 8.025) 9.572 14.690 ( -5.298 -3.659 -2.782) 7.014 14.690 ( -5.298 3.659 -2.782) 7.014 15.029 ( -0.231 -2.593 1.262) 2.893 15.029 ( -0.231 2.593 1.262) 2.893 15.688 ( -3.850 -5.301 -3.118) 7.256 15.688 ( -3.850 5.301 -3.118) 7.256 16.197 ( -0.683 -3.655 1.347) 3.955 16.197 ( -0.683 3.655 1.347) 3.955 16.470 ( 3.729 -4.312 -0.869) 5.767 16.470 ( 3.729 4.312 -0.869) 5.767 17.122 ( 4.293 -1.952 0.371) 4.730 17.122 ( 4.293 1.952 0.371) 4.730 17.451 ( 4.962 -3.984 -1.392) 6.514 17.451 ( 4.962 3.984 -1.392) 6.514 18.008 ( 2.842 -6.354 3.170) 7.649 18.008 ( 2.842 6.354 3.170) 7.649 18.499 ( -1.483 -5.577 -2.524) 6.298 18.499 ( -1.483 5.577 -2.524) 6.298 18.871 ( -3.170 -3.273 1.654) 4.847 18.871 ( -3.170 3.273 1.654) 4.847 19.013 ( -2.918 -3.444 -0.390) 4.531 19.013 ( -2.918 3.444 -0.390) 4.531 19.705 ( 3.139 -7.537 3.915) 9.055 19.705 ( 3.139 7.537 3.915) 9.055 20.119 ( 0.375 -5.491 -5.615) 7.862 20.119 ( 0.375 5.491 -5.615) 7.862 20.751 ( -0.062 -5.776 2.235) 6.193 20.751 ( -0.062 5.776 2.235) 6.193 21.082 ( -2.195 -2.656 -8.183) 8.879 21.082 ( -2.195 2.656 -8.183) 8.879 21.543 ( -1.400 -0.515 4.149) 4.410 21.543 ( -1.400 0.515 4.149) 4.410 22.149 ( -1.510 -4.199 -0.048) 4.463 22.149 ( -1.510 4.199 -0.048) 4.463 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 8.381 -17.743 13.184) 23.640 2.090 ( 8.381 17.743 13.184) 23.640 2.246 ( 12.289 -18.623 8.179) 23.764 2.246 ( 12.289 18.623 8.179) 23.764 2.907 ( 3.582 -4.513 -9.572) 11.172 2.907 ( 3.582 4.513 -9.572) 11.172 3.158 ( 6.416 -6.610 -7.669) 11.986 3.158 ( 6.416 6.610 -7.669) 11.986 3.481 ( 2.479 -5.408 2.565) 6.478 3.481 ( 2.479 5.408 2.565) 6.478 3.680 ( 2.045 -7.176 4.266) 8.595 3.680 ( 2.045 7.176 4.266) 8.595 4.106 ( -2.955 -5.376 0.438) 6.151 4.106 ( -2.955 5.376 0.438) 6.151 4.286 ( 0.370 -6.974 -1.448) 7.133 4.286 ( 0.370 6.974 -1.448) 7.133 4.421 ( -1.880 -7.220 -3.428) 8.211 4.421 ( -1.880 7.220 -3.428) 8.211 4.764 ( 0.299 -1.708 1.869) 2.550 4.764 ( 0.299 1.708 1.869) 2.550 4.853 ( -3.346 -1.723 2.885) 4.742 4.853 ( -3.346 1.723 2.885) 4.742 5.233 ( -1.868 -7.736 -3.501) 8.695 5.233 ( -1.868 7.736 -3.501) 8.695 5.573 ( 1.508 -8.200 -1.195) 8.423 5.573 ( 1.508 8.200 -1.195) 8.423 5.742 ( -2.075 -5.864 -1.487) 6.396 5.742 ( -2.075 5.864 -1.487) 6.396 5.860 ( 1.517 -5.977 -2.799) 6.772 5.860 ( 1.517 5.977 -2.799) 6.772 6.081 ( -0.724 -5.805 1.792) 6.118 6.081 ( -0.724 5.805 1.792) 6.118 6.236 ( -3.713 -2.814 1.984) 5.064 6.236 ( -3.713 2.814 1.984) 5.064 6.510 ( -3.077 -2.245 -0.457) 3.836 6.510 ( -3.077 2.245 -0.457) 3.836 7.012 ( -5.499 -3.573 -1.158) 6.660 7.012 ( -5.499 3.573 -1.158) 6.660 7.171 ( -1.982 -7.000 -5.000) 8.827 7.171 ( -1.982 7.000 -5.000) 8.827 7.631 ( 2.079 -2.996 6.525) 7.475 7.631 ( 2.079 2.996 6.525) 7.475 7.845 ( 0.514 -1.179 -0.944) 1.595 7.845 ( 0.514 1.179 -0.944) 1.595 8.123 ( 1.328 -3.602 3.196) 4.995 8.123 ( 1.328 3.602 3.196) 4.995 8.343 ( 0.010 -3.190 0.643) 3.254 8.343 ( 0.010 3.190 0.643) 3.254 8.730 ( -4.438 -4.281 1.123) 6.267 8.730 ( -4.438 4.281 1.123) 6.267 8.886 ( -5.419 -4.091 -1.844) 7.035 8.886 ( -5.419 4.091 -1.844) 7.035 9.572 ( 2.174 -1.881 2.092) 3.556 9.572 ( 2.174 1.881 2.092) 3.556 9.798 ( -0.651 -3.111 -3.422) 4.670 9.798 ( -0.651 3.111 -3.422) 4.670 10.052 ( 5.330 -1.334 -1.308) 5.648 10.052 ( 5.330 1.334 -1.308) 5.648 10.201 ( 5.919 -2.213 -0.419) 6.333 10.201 ( 5.919 2.213 -0.419) 6.333 11.099 ( 8.592 -3.413 1.096) 9.309 11.099 ( 8.592 3.413 1.096) 9.309 11.321 ( 9.352 -3.769 -3.837) 10.788 11.321 ( 9.352 3.769 -3.837) 10.788 12.236 ( 2.552 -2.764 7.828) 8.685 12.236 ( 2.552 2.764 7.828) 8.685 12.596 ( 1.394 -1.482 -0.724) 2.160 12.596 ( 1.394 1.482 -0.724) 2.160 13.140 ( 4.657 -6.908 2.977) 8.847 13.140 ( 4.657 6.908 2.977) 8.847 13.511 ( -8.749 -5.230 -5.241) 11.461 13.511 ( -8.749 5.230 -5.241) 11.461 14.271 ( -1.094 -3.349 3.896) 5.253 14.271 ( -1.094 3.349 3.896) 5.253 14.588 ( -5.056 -3.524 -2.756) 6.751 14.588 ( -5.056 3.524 -2.756) 6.751 14.997 ( -2.895 -2.128 3.890) 5.295 14.997 ( -2.895 2.128 3.890) 5.295 15.574 ( -7.919 -7.482 -4.778) 11.896 15.574 ( -7.919 7.482 -4.778) 11.896 16.193 ( 0.775 -2.592 2.077) 3.411 16.193 ( 0.775 2.592 2.077) 3.411 16.562 ( 5.187 -5.585 -0.314) 7.629 16.562 ( 5.187 5.585 -0.314) 7.629 17.224 ( 5.929 -3.683 0.842) 7.031 17.224 ( 5.929 3.683 0.842) 7.031 17.551 ( 4.900 -5.196 -3.156) 7.809 17.551 ( 4.900 5.196 -3.156) 7.809 18.078 ( 4.281 -7.001 2.123) 8.477 18.078 ( 4.281 7.001 2.123) 8.477 18.443 ( -4.094 -5.441 -1.013) 6.884 18.443 ( -4.094 5.441 -1.013) 6.884 18.830 ( -1.235 -4.517 1.400) 4.888 18.830 ( -1.235 4.517 1.400) 4.888 18.954 ( -2.511 -4.090 -0.532) 4.829 18.954 ( -2.511 4.090 -0.532) 4.829 19.759 ( 2.139 -7.315 2.766) 8.107 19.759 ( 2.139 7.315 2.766) 8.107 20.130 ( 0.573 -6.648 -3.646) 7.604 20.130 ( 0.573 6.648 -3.646) 7.604 20.748 ( -0.301 -5.241 1.379) 5.428 20.748 ( -0.301 5.241 1.379) 5.428 21.021 ( -3.932 -3.451 -6.018) 7.974 21.021 ( -3.932 3.451 -6.018) 7.974 21.527 ( -0.024 -1.095 4.022) 4.168 21.527 ( -0.024 1.095 4.022) 4.168 22.098 ( -3.790 -4.939 -1.165) 6.333 22.098 ( -3.790 4.939 -1.165) 6.333 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 11.114 -10.213 8.677) 17.411 2.277 ( 11.114 10.213 8.677) 17.411 2.489 ( 12.030 -10.665 4.525) 16.701 2.489 ( 12.030 10.665 4.525) 16.701 2.966 ( 2.559 -2.815 -5.413) 6.616 2.966 ( 2.559 2.815 -5.413) 6.616 3.234 ( 0.782 -1.292 -7.382) 7.535 3.234 ( 0.782 1.292 -7.382) 7.535 3.467 ( -1.171 -2.131 1.585) 2.903 3.467 ( -1.171 2.131 1.585) 2.903 3.758 ( 2.698 -5.005 -1.127) 5.797 3.758 ( 2.698 5.005 -1.127) 5.797 3.996 ( -7.027 -4.377 3.853) 9.131 3.996 ( -7.027 4.377 3.853) 9.131 4.244 ( -3.274 -6.974 -4.559) 8.952 4.244 ( -3.274 6.974 -4.559) 8.952 4.430 ( 1.384 -5.882 -2.579) 6.570 4.430 ( 1.384 5.882 -2.579) 6.570 4.784 ( -0.459 -4.126 3.775) 5.611 4.784 ( -0.459 4.126 3.775) 5.611 4.831 ( 2.485 -5.913 3.190) 7.164 4.831 ( 2.485 5.913 3.190) 7.164 5.226 ( 1.087 -7.390 -1.339) 7.588 5.226 ( 1.087 7.390 -1.339) 7.588 5.568 ( -0.314 -4.455 0.560) 4.501 5.568 ( -0.314 4.455 0.560) 4.501 5.730 ( -1.584 -3.698 0.821) 4.106 5.730 ( -1.584 3.698 0.821) 4.106 5.903 ( 2.929 -2.887 -0.066) 4.113 5.903 ( 2.929 2.887 -0.066) 4.113 6.044 ( -0.604 -6.443 1.934) 6.754 6.044 ( -0.604 6.443 1.934) 6.754 6.199 ( -2.843 -2.654 1.159) 4.059 6.199 ( -2.843 2.654 1.159) 4.059 6.410 ( -5.752 -2.743 -1.857) 6.637 6.410 ( -5.752 2.743 -1.857) 6.637 6.924 ( -2.989 -4.063 -2.538) 5.647 6.924 ( -2.989 4.063 -2.538) 5.647 7.116 ( -3.549 -4.713 -4.564) 7.459 7.116 ( -3.549 4.713 -4.564) 7.459 7.698 ( 4.601 -3.059 4.860) 7.359 7.698 ( 4.601 3.059 4.860) 7.359 7.863 ( 1.324 -2.354 -0.432) 2.735 7.863 ( 1.324 2.354 -0.432) 2.735 8.134 ( -0.827 -5.907 2.596) 6.505 8.134 ( -0.827 5.907 2.596) 6.505 8.315 ( -3.315 -3.231 -0.546) 4.661 8.315 ( -3.315 3.231 -0.546) 4.661 8.625 ( -3.798 -4.020 1.884) 5.843 8.625 ( -3.798 4.020 1.884) 5.843 8.842 ( -1.151 -3.739 -2.636) 4.717 8.842 ( -1.151 3.739 -2.636) 4.717 9.622 ( 2.862 -1.190 1.305) 3.363 9.622 ( 2.862 1.190 1.305) 3.363 9.787 ( -0.589 -3.628 -2.636) 4.523 9.787 ( -0.589 3.628 -2.636) 4.523 10.140 ( 3.833 -1.499 0.301) 4.127 10.140 ( 3.833 1.499 0.301) 4.127 10.312 ( 5.346 -1.542 -1.645) 5.802 10.312 ( 5.346 1.542 -1.645) 5.802 11.245 ( 6.320 -3.930 1.744) 7.644 11.245 ( 6.320 3.930 1.744) 7.644 11.447 ( 3.875 -4.117 -2.933) 6.369 11.447 ( 3.875 4.117 -2.933) 6.369 12.312 ( 5.011 -2.356 5.542) 7.834 12.312 ( 5.011 2.356 5.542) 7.834 12.611 ( -0.072 -3.205 -0.843) 3.315 12.611 ( -0.072 3.205 -0.843) 3.315 13.200 ( 1.562 -7.580 0.589) 7.761 13.200 ( 1.562 7.580 0.589) 7.761 13.398 ( -2.721 -7.650 -0.610) 8.142 13.398 ( -2.721 7.650 -0.610) 8.142 14.265 ( 0.353 -2.512 1.504) 2.949 14.265 ( 0.353 2.512 1.504) 2.949 14.503 ( -3.776 -3.360 -1.980) 5.429 14.503 ( -3.776 3.360 -1.980) 5.429 14.936 ( -2.912 -2.698 4.377) 5.909 14.936 ( -2.912 2.698 4.377) 5.909 15.405 ( -9.257 -6.698 -5.373) 12.627 15.405 ( -9.257 6.698 -5.373) 12.627 16.232 ( 3.104 -2.087 3.320) 5.001 16.232 ( 3.104 2.087 3.320) 5.001 16.641 ( 2.699 -6.422 -1.050) 7.045 16.641 ( 2.699 6.422 -1.050) 7.045 17.340 ( 6.224 -3.418 0.878) 7.155 17.340 ( 6.224 3.418 0.878) 7.155 17.618 ( 1.823 -5.148 -3.986) 6.761 17.618 ( 1.823 5.148 -3.986) 6.761 18.165 ( 4.689 -7.369 1.907) 8.940 18.165 ( 4.689 7.369 1.907) 8.940 18.369 ( -2.963 -6.705 -0.116) 7.331 18.369 ( -2.963 6.705 -0.116) 7.331 18.805 ( -1.410 -3.879 1.536) 4.404 18.805 ( -1.410 3.879 1.536) 4.404 18.929 ( -0.635 -1.572 -1.125) 2.035 18.929 ( -0.635 1.572 -1.125) 2.035 19.793 ( 1.924 -8.312 1.599) 8.681 19.793 ( 1.924 8.312 1.599) 8.681 20.124 ( -1.569 -8.154 -1.991) 8.539 20.124 ( -1.569 8.154 -1.991) 8.539 20.741 ( -0.286 -4.132 0.178) 4.146 20.741 ( -0.286 4.132 0.178) 4.146 20.946 ( -3.570 -2.798 -3.530) 5.748 20.946 ( -3.570 2.798 -3.530) 5.748 21.544 ( 1.774 -1.846 3.534) 4.364 21.544 ( 1.774 1.846 3.534) 4.364 22.010 ( -5.192 -4.244 -1.730) 6.925 22.010 ( -5.192 4.244 -1.730) 6.925 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 7.691 -2.407 2.988) 8.595 2.474 ( 7.691 2.407 2.988) 8.595 2.666 ( 6.843 -6.755 2.093) 9.840 2.666 ( 6.843 6.755 2.093) 9.840 3.034 ( 4.742 -3.724 -2.202) 6.419 3.034 ( 4.742 3.724 -2.202) 6.419 3.194 ( -3.323 -4.168 -6.247) 8.212 3.194 ( -3.323 4.168 -6.247) 8.212 3.472 ( 0.449 -4.422 2.794) 5.250 3.472 ( 0.449 4.422 2.794) 5.250 3.743 ( -4.564 -2.918 -0.207) 5.421 3.743 ( -4.564 2.918 -0.207) 5.421 3.856 ( -3.883 -2.427 -0.222) 4.584 3.856 ( -3.883 2.427 -0.222) 4.584 4.227 ( -1.785 -2.649 -0.961) 3.336 4.227 ( -1.785 2.649 -0.961) 3.336 4.445 ( 1.991 -5.531 -1.777) 6.141 4.445 ( 1.991 5.531 -1.777) 6.141 4.759 ( -1.746 -3.716 2.217) 4.666 4.759 ( -1.746 3.716 2.217) 4.666 4.894 ( 3.055 -5.208 3.718) 7.090 4.894 ( 3.055 5.208 3.718) 7.090 5.252 ( 0.906 -3.890 -2.435) 4.678 5.252 ( 0.906 3.890 -2.435) 4.678 5.585 ( 1.814 -5.464 2.181) 6.156 5.585 ( 1.814 5.464 2.181) 6.156 5.689 ( -1.793 -3.859 3.725) 5.655 5.689 ( -1.793 3.859 3.725) 5.655 5.959 ( 1.893 -4.279 -0.401) 4.696 5.959 ( 1.893 4.279 -0.401) 4.696 6.031 ( -2.191 -6.975 -1.568) 7.477 6.031 ( -2.191 6.975 -1.568) 7.477 6.134 ( -0.944 -2.799 2.310) 3.750 6.134 ( -0.944 2.799 2.310) 3.750 6.334 ( -2.814 -4.488 -1.413) 5.482 6.334 ( -2.814 4.488 -1.413) 5.482 6.897 ( -0.200 -2.729 -1.088) 2.945 6.897 ( -0.200 2.729 -1.088) 2.945 7.050 ( -2.906 -2.216 -4.509) 5.804 7.050 ( -2.906 2.216 -4.509) 5.804 7.786 ( 3.962 -3.912 2.153) 5.970 7.786 ( 3.962 3.912 2.153) 5.970 7.907 ( 3.402 -2.079 1.514) 4.265 7.907 ( 3.402 2.079 1.514) 4.265 8.068 ( -5.117 -4.604 1.711) 7.092 8.068 ( -5.117 4.604 1.711) 7.092 8.243 ( -3.839 -2.117 -0.007) 4.384 8.243 ( -3.839 2.117 -0.007) 4.384 8.616 ( 2.235 -5.062 0.540) 5.559 8.616 ( 2.235 5.062 0.540) 5.559 8.810 ( -2.308 -3.155 -3.001) 4.928 8.810 ( -2.308 3.155 -3.001) 4.928 9.678 ( 2.924 -1.639 0.474) 3.385 9.678 ( 2.924 1.639 0.474) 3.385 9.770 ( -1.380 -3.264 -1.627) 3.900 9.770 ( -1.380 3.264 -1.627) 3.900 10.196 ( 2.034 -1.368 1.261) 2.757 10.196 ( 2.034 1.368 1.261) 2.757 10.393 ( 3.004 -0.925 -2.499) 4.015 10.393 ( 3.004 0.925 -2.499) 4.015 11.333 ( 2.970 -2.977 2.002) 4.657 11.333 ( 2.970 2.977 2.002) 4.657 11.483 ( 0.424 -3.026 -1.515) 3.410 11.483 ( 0.424 3.026 -1.515) 3.410 12.407 ( 4.486 -2.367 3.299) 6.050 12.407 ( 4.486 2.367 3.299) 6.050 12.591 ( -1.813 -3.920 -0.496) 4.348 12.591 ( -1.813 3.920 -0.496) 4.348 13.236 ( 2.992 -6.673 -0.986) 7.380 13.236 ( 2.992 6.673 -0.986) 7.380 13.366 ( -1.921 -6.616 1.327) 7.016 13.366 ( -1.921 6.616 1.327) 7.016 14.280 ( 1.080 -1.436 1.401) 2.278 14.280 ( 1.080 1.436 1.401) 2.278 14.444 ( -2.553 -2.235 -0.804) 3.487 14.444 ( -2.553 2.235 -0.804) 3.487 14.903 ( -0.403 -2.356 2.920) 3.773 14.903 ( -0.403 2.356 2.920) 3.773 15.245 ( -6.949 -4.457 -4.683) 9.491 15.245 ( -6.949 4.457 -4.683) 9.491 16.294 ( 2.942 -1.264 4.219) 5.297 16.294 ( 2.942 1.264 4.219) 5.297 16.664 ( 0.007 -4.382 -2.257) 4.929 16.664 ( 0.007 4.382 -2.257) 4.929 17.457 ( 5.836 -4.270 0.048) 7.232 17.457 ( 5.836 4.270 0.048) 7.232 17.618 ( -1.747 -6.222 -3.176) 7.201 17.618 ( -1.747 6.222 -3.176) 7.201 18.241 ( 2.667 -7.300 2.245) 8.090 18.241 ( 2.667 7.300 2.245) 8.090 18.346 ( 0.391 -8.419 0.283) 8.433 18.346 ( 0.391 8.419 0.283) 8.433 18.793 ( 0.632 -3.018 0.723) 3.167 18.793 ( 0.632 3.018 0.723) 3.167 18.902 ( -2.625 -1.267 -1.228) 3.163 18.902 ( -2.625 1.267 -1.228) 3.163 19.846 ( 3.738 -8.663 0.767) 9.466 19.846 ( 3.738 8.663 0.767) 9.466 20.064 ( -4.503 -9.121 -1.190) 10.241 20.064 ( -4.503 9.121 -1.190) 10.241 20.742 ( 0.398 -2.239 -0.022) 2.274 20.742 ( 0.398 2.239 -0.022) 2.274 20.892 ( -2.090 -1.249 -2.329) 3.370 20.892 ( -2.090 1.249 -2.329) 3.370 21.586 ( 2.325 -1.457 3.374) 4.349 21.586 ( 2.325 1.457 3.374) 4.349 21.914 ( -4.416 -2.773 -2.045) 5.601 21.914 ( -4.416 2.773 -2.045) 5.601 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 0.000 -0.000 1.263) 1.263 2.536 ( 0.000 0.000 1.262) 1.262 2.753 ( 0.000 -0.000 -0.969) 0.969 2.753 ( 0.000 0.000 -0.969) 0.969 3.079 ( 0.000 0.000 -0.738) 0.738 3.079 ( 0.000 0.000 -0.738) 0.738 3.169 ( -0.000 0.000 -4.429) 4.429 3.169 ( 0.000 0.000 -4.429) 4.429 3.478 ( 0.000 -0.000 2.786) 2.786 3.478 ( 0.000 0.000 2.786) 2.786 3.646 ( 0.000 0.000 -0.128) 0.128 3.646 ( 0.000 0.000 -0.128) 0.128 3.871 ( 0.000 0.000 0.701) 0.701 3.871 ( 0.000 0.000 0.701) 0.701 4.172 ( 0.000 0.000 0.668) 0.668 4.172 ( 0.000 0.000 0.668) 0.668 4.489 ( 0.000 0.000 -0.454) 0.454 4.489 ( 0.000 0.000 -0.454) 0.454 4.733 ( 0.000 -0.000 -1.930) 1.930 4.733 ( 0.000 0.000 -1.930) 1.930 4.928 ( 0.000 0.000 5.308) 5.308 4.928 ( 0.000 0.000 5.308) 5.308 5.257 ( 0.000 0.000 -3.668) 3.668 5.257 ( 0.000 0.000 -3.668) 3.668 5.635 ( -0.000 -0.000 2.379) 2.379 5.635 ( 0.000 0.000 2.379) 2.379 5.641 ( 0.000 -0.000 3.566) 3.566 5.641 ( -0.000 0.000 3.566) 3.566 5.974 ( 0.000 -0.000 -1.172) 1.172 5.974 ( 0.000 0.000 -1.172) 1.172 6.000 ( -0.000 -0.000 0.718) 0.718 6.000 ( 0.000 0.000 0.718) 0.718 6.147 ( 0.000 -0.000 1.016) 1.016 6.147 ( 0.000 0.000 1.016) 1.016 6.299 ( 0.000 0.000 -0.730) 0.730 6.299 ( 0.000 0.000 -0.730) 0.730 6.899 ( 0.000 0.000 -0.169) 0.169 6.899 ( 0.000 0.000 -0.169) 0.169 7.020 ( 0.000 0.000 -4.858) 4.858 7.020 ( 0.000 0.000 -4.858) 4.858 7.831 ( 0.000 -0.000 1.285) 1.285 7.831 ( 0.000 0.000 1.286) 1.286 7.943 ( -0.000 0.000 1.077) 1.077 7.943 ( 0.000 0.000 1.077) 1.077 8.019 ( 0.000 -0.000 2.752) 2.752 8.019 ( 0.000 0.000 2.752) 2.752 8.190 ( 0.000 0.000 0.594) 0.594 8.190 ( 0.000 0.000 0.594) 0.594 8.657 ( 0.000 -0.000 -0.763) 0.763 8.657 ( 0.000 0.000 -0.763) 0.763 8.774 ( 0.000 -0.000 -2.990) 2.990 8.774 ( 0.000 0.000 -2.990) 2.990 9.725 ( 0.000 -0.000 -0.469) 0.469 9.725 ( 0.000 0.000 -0.469) 0.469 9.737 ( -0.000 -0.000 -0.557) 0.557 9.737 ( -0.000 0.000 -0.557) 0.557 10.216 ( 0.000 0.000 1.558) 1.558 10.216 ( 0.000 0.000 1.558) 1.558 10.422 ( 0.000 -0.000 -2.844) 2.844 10.422 ( 0.000 0.000 -2.844) 2.844 11.361 ( 0.000 -0.000 2.103) 2.103 11.361 ( 0.000 0.000 2.103) 2.103 11.483 ( 0.000 -0.000 -0.999) 0.999 11.483 ( 0.000 0.000 -0.999) 0.999 12.458 ( -0.000 -0.000 2.502) 2.502 12.458 ( 0.000 0.000 2.502) 2.502 12.564 ( 0.000 -0.000 -0.329) 0.329 12.564 ( 0.000 0.000 -0.329) 0.329 13.305 ( -0.000 -0.000 0.105) 0.105 13.305 ( -0.000 0.000 0.105) 0.105 13.311 ( -0.000 -0.000 0.012) 0.012 13.311 ( 0.000 0.000 0.012) 0.012 14.295 ( 0.000 0.000 1.980) 1.980 14.295 ( 0.000 0.000 1.980) 1.980 14.414 ( 0.000 0.000 -0.275) 0.275 14.414 ( 0.000 0.000 -0.275) 0.275 14.907 ( 0.000 0.000 1.762) 1.762 14.907 ( 0.000 0.000 1.762) 1.762 15.171 ( 0.000 0.000 -4.107) 4.107 15.171 ( 0.000 0.000 -4.107) 4.107 16.326 ( 0.000 0.000 4.688) 4.688 16.326 ( 0.000 0.000 4.688) 4.688 16.660 ( 0.000 0.000 -2.921) 2.921 16.660 ( 0.000 0.000 -2.921) 2.921 17.544 ( 0.000 -0.000 -1.272) 1.272 17.544 ( 0.000 0.000 -1.272) 1.272 17.570 ( -0.000 -0.000 -1.792) 1.792 17.570 ( 0.000 0.000 -1.792) 1.792 18.264 ( 0.000 -0.000 2.717) 2.717 18.264 ( 0.000 0.000 2.717) 2.717 18.356 ( -0.000 -0.000 0.334) 0.334 18.356 ( 0.000 0.000 0.334) 0.334 18.832 ( -0.000 -0.000 -0.596) 0.596 18.832 ( 0.000 0.000 -0.596) 0.596 18.841 ( -0.000 -0.000 -0.587) 0.587 18.841 ( 0.000 0.000 -0.587) 0.587 19.909 ( -0.000 0.000 0.598) 0.598 19.909 ( 0.000 0.000 0.598) 0.598 19.992 ( 0.000 -0.000 -1.125) 1.125 19.992 ( 0.000 -0.000 -1.125) 1.125 20.748 ( 0.000 -0.000 0.458) 0.458 20.748 ( 0.000 0.000 0.458) 0.458 20.871 ( 0.000 0.000 -2.385) 2.385 20.871 ( 0.000 0.000 -2.385) 2.385 21.614 ( 0.000 0.000 3.556) 3.556 21.614 ( 0.000 0.000 3.556) 3.556 21.866 ( 0.000 0.000 -2.348) 2.348 21.866 ( 0.000 0.000 -2.348) 2.348 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 0.000 30.151) 30.151 1.387 ( 0.000 0.000 32.269) 32.269 1.853 ( 0.000 0.000 -27.641) 27.641 1.977 ( 0.000 0.000 -22.546) 22.546 2.537 ( 0.000 0.000 49.395) 49.395 2.978 ( 0.000 0.000 3.099) 3.099 3.051 ( 0.000 0.000 5.391) 5.391 3.232 ( 0.000 0.000 18.051) 18.051 3.535 ( 0.000 0.000 -31.056) 31.056 3.689 ( 0.000 0.000 -20.451) 20.451 3.727 ( 0.000 0.000 -8.213) 8.213 3.769 ( 0.000 0.000 -0.948) 0.948 3.820 ( 0.000 0.000 3.321) 3.321 3.911 ( 0.000 0.000 -4.871) 4.871 4.145 ( 0.000 0.000 9.428) 9.428 4.313 ( 0.000 0.000 -6.636) 6.636 4.523 ( 0.000 0.000 6.138) 6.138 4.607 ( 0.000 0.000 -1.124) 1.124 4.820 ( 0.000 0.000 3.584) 3.584 4.917 ( 0.000 0.000 -5.550) 5.550 4.960 ( 0.000 0.000 4.550) 4.550 5.064 ( 0.000 0.000 -1.586) 1.586 5.114 ( 0.000 0.000 10.099) 10.099 5.200 ( 0.000 0.000 2.981) 2.981 5.304 ( 0.000 0.000 -5.924) 5.924 5.366 ( 0.000 0.000 -12.482) 12.482 5.483 ( 0.000 0.000 2.697) 2.697 5.575 ( 0.000 0.000 -6.558) 6.558 5.892 ( 0.000 0.000 5.198) 5.198 5.959 ( 0.000 0.000 -0.808) 0.808 6.030 ( 0.000 0.000 1.833) 1.833 6.140 ( 0.000 0.000 -7.262) 7.262 6.334 ( 0.000 0.000 0.641) 0.641 6.415 ( 0.000 0.000 -6.096) 6.096 6.531 ( 0.000 0.000 2.039) 2.039 6.547 ( 0.000 0.000 0.612) 0.612 6.802 ( 0.000 0.000 6.362) 6.362 6.913 ( 0.000 0.000 -3.928) 3.928 7.349 ( 0.000 0.000 2.147) 2.147 7.415 ( 0.000 0.000 -3.908) 3.908 7.600 ( 0.000 0.000 8.020) 8.020 7.707 ( 0.000 0.000 -2.669) 2.669 8.080 ( 0.000 0.000 4.481) 4.481 8.155 ( 0.000 0.000 -2.551) 2.551 8.165 ( 0.000 0.000 5.946) 5.946 8.270 ( 0.000 0.000 -4.186) 4.186 8.381 ( 0.000 0.000 9.762) 9.762 8.561 ( 0.000 0.000 -6.852) 6.852 8.780 ( 0.000 0.000 0.169) 0.169 8.814 ( 0.000 0.000 -2.501) 2.501 9.131 ( 0.000 0.000 2.082) 2.082 9.172 ( 0.000 0.000 -1.742) 1.742 9.536 ( 0.000 0.000 5.736) 5.736 9.629 ( 0.000 0.000 -2.775) 2.775 9.679 ( 0.000 0.000 4.420) 4.420 9.768 ( 0.000 0.000 -4.537) 4.537 9.921 ( 0.000 0.000 2.729) 2.729 9.941 ( 0.000 0.000 2.960) 2.960 10.011 ( 0.000 0.000 -5.829) 5.829 10.011 ( 0.000 0.000 -3.656) 3.656 10.506 ( 0.000 0.000 2.134) 2.134 10.549 ( 0.000 0.000 -2.004) 2.004 11.198 ( 0.000 0.000 4.685) 4.685 11.305 ( 0.000 0.000 -5.523) 5.523 12.440 ( 0.000 0.000 3.903) 3.903 12.448 ( 0.000 0.000 0.855) 0.855 12.499 ( 0.000 0.000 0.819) 0.819 12.552 ( 0.000 0.000 -2.154) 2.154 13.245 ( 0.000 0.000 -1.081) 1.081 13.254 ( 0.000 0.000 -1.891) 1.891 13.522 ( 0.000 0.000 2.146) 2.146 13.577 ( 0.000 0.000 -3.340) 3.340 14.262 ( 0.000 0.000 0.682) 0.682 14.277 ( 0.000 0.000 -0.930) 0.930 14.750 ( 0.000 0.000 3.512) 3.512 14.786 ( 0.000 0.000 -1.122) 1.122 14.846 ( 0.000 0.000 7.640) 7.640 15.003 ( 0.000 0.000 -6.483) 6.483 15.703 ( 0.000 0.000 4.320) 4.320 15.788 ( 0.000 0.000 -3.998) 3.998 16.152 ( 0.000 0.000 -0.669) 0.669 16.176 ( 0.000 0.000 -3.253) 3.253 16.784 ( 0.000 0.000 0.908) 0.908 16.787 ( 0.000 0.000 0.049) 0.049 16.900 ( 0.000 0.000 3.159) 3.159 16.949 ( 0.000 0.000 -1.161) 1.161 17.712 ( 0.000 0.000 0.080) 0.080 17.718 ( 0.000 0.000 -0.496) 0.496 17.842 ( 0.000 0.000 6.726) 6.726 17.992 ( 0.000 0.000 -7.682) 7.682 18.368 ( 0.000 0.000 0.906) 0.906 18.369 ( 0.000 0.000 0.851) 0.851 18.755 ( 0.000 0.000 1.397) 1.397 18.809 ( 0.000 0.000 -3.798) 3.798 18.990 ( 0.000 0.000 1.667) 1.667 19.017 ( 0.000 0.000 -0.937) 0.937 19.347 ( 0.000 0.000 0.758) 0.758 19.364 ( 0.000 0.000 -0.888) 0.888 20.075 ( 0.000 0.000 4.629) 4.629 20.167 ( 0.000 0.000 -4.109) 4.109 20.563 ( 0.000 0.000 12.917) 12.917 20.801 ( 0.000 0.000 -8.343) 8.343 20.951 ( 0.000 0.000 -1.975) 1.975 20.977 ( 0.000 0.000 -2.886) 2.886 21.636 ( 0.000 0.000 2.451) 2.451 21.680 ( 0.000 0.000 -1.842) 1.842 22.324 ( 0.000 0.000 0.328) 0.328 22.331 ( 0.000 0.000 -0.402) 0.402 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 14.289 0.000 25.788) 29.483 1.562 ( 15.734 0.000 25.555) 30.010 1.975 ( 11.485 0.000 -24.581) 27.132 2.109 ( 12.298 0.000 -21.516) 24.783 2.706 ( 17.498 0.000 42.597) 46.051 3.042 ( 6.320 0.000 3.851) 7.401 3.101 ( 4.951 0.000 8.588) 9.913 3.228 ( 0.200 0.000 14.972) 14.974 3.547 ( -0.034 0.000 -22.677) 22.677 3.665 ( -5.045 0.000 -2.919) 5.829 3.744 ( 3.111 0.000 -12.991) 13.358 3.780 ( 2.564 0.000 -11.647) 11.926 3.825 ( 0.659 0.000 -1.574) 1.707 3.889 ( -2.186 0.000 -4.098) 4.645 4.144 ( 0.490 0.000 9.398) 9.411 4.319 ( -0.012 0.000 -6.720) 6.720 4.461 ( -4.769 0.000 5.130) 7.005 4.540 ( -5.766 0.000 -1.967) 6.092 4.726 ( -8.611 0.000 3.237) 9.200 4.828 ( -9.297 0.000 -6.072) 11.104 4.946 ( -5.004 0.000 4.809) 6.940 5.034 ( -3.214 0.000 -2.481) 4.060 5.111 ( -0.922 0.000 7.084) 7.143 5.196 ( 3.060 0.000 4.272) 5.255 5.278 ( -2.415 0.000 -7.475) 7.856 5.383 ( 4.195 0.000 -9.784) 10.646 5.492 ( 0.577 0.000 4.118) 4.159 5.567 ( -0.622 0.000 -3.118) 3.179 5.948 ( 3.285 0.000 5.639) 6.526 5.999 ( 0.631 0.000 0.259) 0.682 6.070 ( 6.472 0.000 -1.365) 6.614 6.136 ( -0.095 0.000 -6.810) 6.810 6.367 ( 3.214 0.000 -1.043) 3.379 6.419 ( 0.229 0.000 -4.993) 4.998 6.554 ( -0.074 0.000 3.343) 3.343 6.569 ( 0.268 0.000 1.415) 1.440 6.764 ( -3.394 0.000 1.534) 3.725 6.809 ( -7.018 0.000 -2.569) 7.474 7.348 ( -0.342 0.000 4.778) 4.790 7.453 ( 1.864 0.000 -5.610) 5.912 7.645 ( 3.963 0.000 5.179) 6.521 7.711 ( 0.475 0.000 -1.543) 1.614 8.021 ( -8.123 0.000 4.293) 9.188 8.060 ( -5.931 0.000 1.306) 6.073 8.144 ( -4.490 0.000 2.585) 5.181 8.167 ( -0.866 0.000 -0.212) 0.891 8.465 ( 0.872 0.000 5.740) 5.806 8.586 ( 1.686 0.000 -5.480) 5.734 8.699 ( -4.062 0.000 1.183) 4.231 8.755 ( -3.452 0.000 -3.564) 4.962 9.164 ( 0.909 0.000 2.824) 2.967 9.213 ( 0.787 0.000 -1.696) 1.870 9.507 ( -2.258 0.000 3.992) 4.586 9.585 ( -2.778 0.000 -1.992) 3.418 9.666 ( -4.588 0.000 0.615) 4.629 9.701 ( -3.145 0.000 -1.846) 3.647 9.948 ( 4.325 0.000 0.769) 4.393 9.970 ( 2.513 0.000 -0.658) 2.598 10.052 ( 7.556 0.000 1.499) 7.703 10.133 ( 7.410 0.000 -5.119) 9.006 10.623 ( 10.606 0.000 1.062) 10.659 10.644 ( 8.898 0.000 -0.891) 8.943 11.260 ( 5.873 0.000 3.213) 6.695 11.346 ( 4.072 0.000 -4.894) 6.367 12.437 ( -0.122 0.000 4.103) 4.105 12.472 ( 1.781 0.000 1.140) 2.115 12.512 ( 0.972 0.000 0.434) 1.065 12.554 ( 0.797 0.000 -1.804) 1.973 13.066 ( -11.533 0.000 10.219) 15.409 13.248 ( -5.497 0.000 -8.455) 10.085 13.553 ( 3.147 0.000 2.250) 3.869 13.624 ( 4.835 0.000 -4.710) 6.750 14.232 ( -3.788 0.000 1.105) 3.946 14.246 ( -1.697 0.000 -0.385) 1.741 14.612 ( -7.565 0.000 6.127) 9.735 14.698 ( -6.343 0.000 -2.633) 6.867 14.990 ( 6.535 0.000 0.498) 6.554 15.017 ( 0.551 0.000 -1.633) 1.724 15.619 ( -9.032 0.000 7.399) 11.675 15.775 ( -3.171 0.000 -7.457) 8.103 16.102 ( -3.985 0.000 -0.369) 4.002 16.124 ( -0.530 0.000 -2.010) 2.079 16.797 ( 0.735 0.000 5.217) 5.268 16.876 ( 4.291 0.000 -0.102) 4.292 16.925 ( 2.046 0.000 -0.283) 2.066 16.976 ( 4.908 0.000 -3.986) 6.323 17.666 ( -2.781 0.000 2.838) 3.973 17.723 ( -1.148 0.000 -2.319) 2.587 17.851 ( 1.880 0.000 8.188) 8.401 18.021 ( 4.441 0.000 -8.362) 9.468 18.402 ( 3.077 0.000 1.950) 3.643 18.434 ( 4.882 0.000 -0.817) 4.950 18.753 ( -0.287 0.000 1.536) 1.562 18.805 ( -0.345 0.000 -3.436) 3.453 19.084 ( 5.298 0.000 1.942) 5.643 19.158 ( 12.048 0.000 -6.550) 13.714 19.356 ( 1.183 0.000 0.314) 1.224 19.366 ( 0.203 0.000 -0.555) 0.591 20.069 ( 0.851 0.000 4.152) 4.238 20.156 ( -0.374 0.000 -3.973) 3.991 20.581 ( 1.537 0.000 11.264) 11.368 20.800 ( -0.591 0.000 -8.740) 8.760 20.915 ( -2.656 0.000 1.922) 3.278 20.989 ( 0.461 0.000 -4.865) 4.887 21.633 ( -0.346 0.000 2.248) 2.274 21.674 ( -0.699 0.000 -1.681) 1.821 22.212 ( -8.428 0.000 5.516) 10.072 22.305 ( -4.536 0.000 -4.324) 6.267 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 20.336 0.000 18.489) 27.485 1.898 ( 18.664 0.000 17.922) 25.876 2.229 ( 13.901 0.000 -18.524) 23.160 2.360 ( 12.291 0.000 -18.098) 21.877 3.017 ( 4.321 0.000 14.042) 14.692 3.207 ( 3.952 0.000 -5.586) 6.843 3.277 ( 16.542 0.000 16.896) 23.646 3.291 ( 14.376 0.000 20.947) 25.405 3.444 ( -8.618 0.000 -0.226) 8.621 3.637 ( 1.568 0.000 -9.377) 9.507 3.722 ( -3.453 0.000 -3.155) 4.677 3.807 ( -1.319 0.000 2.467) 2.797 3.841 ( -2.158 0.000 -4.170) 4.695 3.906 ( 4.144 0.000 -13.192) 13.827 4.165 ( 0.170 0.000 3.001) 3.006 4.261 ( -6.183 0.000 -1.136) 6.286 4.404 ( -3.240 0.000 -5.735) 6.587 4.428 ( -4.142 0.000 -5.786) 7.116 4.582 ( -1.748 0.000 2.944) 3.424 4.628 ( -9.179 0.000 -1.552) 9.309 4.818 ( -5.493 0.000 2.122) 5.889 4.917 ( -7.102 0.000 -7.307) 10.190 5.146 ( 3.342 0.000 6.657) 7.448 5.235 ( 1.227 0.000 -0.300) 1.264 5.296 ( 2.282 0.000 2.160) 3.142 5.454 ( 2.287 0.000 -7.000) 7.364 5.536 ( 4.127 0.000 3.046) 5.129 5.554 ( -0.701 0.000 1.453) 1.613 5.926 ( -3.156 0.000 5.227) 6.106 6.032 ( 0.173 0.000 -1.534) 1.543 6.151 ( 1.438 0.000 -2.488) 2.874 6.194 ( 3.986 0.000 -3.139) 5.074 6.406 ( -2.720 0.000 -1.350) 3.037 6.419 ( -2.402 0.000 -2.190) 3.251 6.459 ( -2.339 0.000 2.633) 3.522 6.507 ( -4.973 0.000 -1.608) 5.227 6.697 ( -0.702 0.000 3.093) 3.172 6.791 ( 1.100 0.000 -5.480) 5.589 7.311 ( -4.018 0.000 5.569) 6.867 7.426 ( -5.572 0.000 -5.622) 7.916 7.716 ( 3.019 0.000 2.100) 3.677 7.726 ( 1.545 0.000 1.149) 1.926 7.893 ( -3.639 0.000 3.591) 5.113 7.938 ( -4.215 0.000 -0.031) 4.215 8.127 ( 1.107 0.000 3.822) 3.979 8.172 ( 0.972 0.000 -0.249) 1.003 8.415 ( -4.390 0.000 5.414) 6.970 8.523 ( -5.738 0.000 -4.979) 7.597 8.709 ( -1.890 0.000 -0.528) 1.963 8.713 ( 0.825 0.000 -1.302) 1.542 9.124 ( -4.103 0.000 2.018) 4.573 9.160 ( -5.435 0.000 -1.099) 5.545 9.480 ( -0.611 0.000 1.731) 1.835 9.538 ( -1.617 0.000 -3.429) 3.791 9.589 ( -2.819 0.000 1.403) 3.149 9.634 ( -3.837 0.000 -2.469) 4.563 10.052 ( 5.861 0.000 1.419) 6.030 10.071 ( 6.557 0.000 0.006) 6.557 10.208 ( 8.493 0.000 1.504) 8.625 10.283 ( 7.886 0.000 -4.463) 9.061 10.835 ( 10.554 0.000 1.314) 10.636 10.854 ( 11.997 0.000 -0.554) 12.009 11.392 ( 7.189 0.000 1.291) 7.304 11.444 ( 5.763 0.000 -3.727) 6.863 12.432 ( -0.410 0.000 4.539) 4.557 12.493 ( -0.049 0.000 -1.109) 1.110 12.537 ( 2.647 0.000 3.954) 4.759 12.593 ( 2.623 0.000 -1.803) 3.183 12.879 ( -6.836 0.000 11.494) 13.373 13.094 ( -9.362 0.000 -9.113) 13.065 13.638 ( 5.592 0.000 4.171) 6.976 13.742 ( 6.822 0.000 -5.933) 9.041 14.166 ( -2.711 0.000 2.221) 3.505 14.205 ( -2.321 0.000 -1.750) 2.907 14.492 ( -5.368 0.000 4.772) 7.182 14.581 ( -5.567 0.000 -3.841) 6.763 15.003 ( -1.949 0.000 3.432) 3.947 15.062 ( 1.146 0.000 -2.304) 2.574 15.399 ( -12.458 0.000 9.305) 15.549 15.616 ( -12.015 0.000 -11.825) 16.858 16.115 ( 4.357 0.000 2.111) 4.841 16.170 ( 4.686 0.000 -3.132) 5.636 16.758 ( -3.579 0.000 8.110) 8.865 16.894 ( -1.664 0.000 -5.260) 5.517 17.031 ( 7.895 0.000 1.818) 8.102 17.103 ( 7.105 0.000 -5.423) 8.938 17.637 ( 0.315 0.000 4.307) 4.319 17.710 ( 0.662 0.000 -2.317) 2.409 17.915 ( 4.199 0.000 10.977) 11.753 18.120 ( 4.155 0.000 -8.568) 9.522 18.464 ( 3.185 0.000 1.885) 3.701 18.524 ( 4.121 0.000 -3.536) 5.430 18.747 ( 0.030 0.000 2.645) 2.646 18.803 ( 0.482 0.000 -2.664) 2.708 19.131 ( -1.579 0.000 5.731) 5.945 19.278 ( 0.645 0.000 -7.076) 7.106 19.367 ( 0.100 0.000 0.272) 0.290 19.396 ( 1.447 0.000 -5.212) 5.409 20.150 ( 6.974 0.000 1.747) 7.190 20.190 ( 4.491 0.000 -2.020) 4.924 20.606 ( 0.963 0.000 6.877) 6.944 20.754 ( -4.242 0.000 -6.720) 7.947 20.879 ( -0.948 0.000 4.763) 4.856 20.989 ( -0.409 0.000 -6.298) 6.312 21.619 ( -1.205 0.000 2.218) 2.524 21.654 ( -1.225 0.000 -1.163) 1.689 22.050 ( -7.727 0.000 7.582) 10.825 22.186 ( -7.138 0.000 -6.243) 9.482 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 17.056 0.000 13.580) 21.802 2.264 ( 19.364 0.000 12.649) 23.129 2.458 ( 7.956 0.000 -14.354) 16.411 2.563 ( 10.090 0.000 -12.523) 16.082 2.979 ( -5.503 0.000 6.739) 8.700 3.098 ( -9.448 0.000 -3.615) 10.116 3.366 ( -0.361 0.000 5.422) 5.434 3.419 ( 1.343 0.000 -1.102) 1.738 3.624 ( -0.238 0.000 -0.043) 0.242 3.648 ( -1.714 0.000 -2.935) 3.399 3.725 ( 6.811 0.000 4.313) 8.062 3.762 ( -1.942 0.000 1.384) 2.384 3.826 ( 0.770 0.000 1.158) 1.391 3.905 ( -1.250 0.000 -0.192) 1.265 4.091 ( -6.343 0.000 -0.990) 6.420 4.129 ( -7.697 0.000 -3.877) 8.618 4.312 ( -0.843 0.000 2.097) 2.260 4.424 ( -0.968 0.000 -6.662) 6.732 4.553 ( 5.692 0.000 8.779) 10.463 4.754 ( 10.424 0.000 -1.147) 10.487 4.779 ( 3.577 0.000 0.213) 3.584 4.824 ( 0.070 0.000 -12.114) 12.114 5.209 ( 2.515 0.000 10.046) 10.356 5.263 ( 2.677 0.000 1.757) 3.203 5.343 ( 3.234 0.000 -0.070) 3.234 5.470 ( -0.370 0.000 -6.264) 6.274 5.535 ( -0.794 0.000 5.802) 5.856 5.624 ( 4.569 0.000 -1.224) 4.730 5.881 ( -0.943 0.000 5.381) 5.463 5.973 ( -6.040 0.000 -0.029) 6.041 6.115 ( -6.953 0.000 -3.222) 7.663 6.136 ( -6.162 0.000 -4.067) 7.383 6.369 ( 1.534 0.000 1.266) 1.989 6.393 ( 2.285 0.000 -0.996) 2.493 6.471 ( -1.862 0.000 -0.134) 1.867 6.480 ( -0.987 0.000 -0.595) 1.152 6.688 ( 0.491 0.000 3.149) 3.187 6.813 ( 1.941 0.000 -7.847) 8.084 7.209 ( -5.716 0.000 2.666) 6.307 7.266 ( -9.623 0.000 -2.493) 9.941 7.746 ( 1.171 0.000 2.473) 2.736 7.776 ( 1.193 0.000 -0.080) 1.195 7.892 ( 3.881 0.000 2.805) 4.789 7.920 ( 1.798 0.000 0.025) 1.799 8.147 ( 0.416 0.000 4.231) 4.251 8.192 ( 0.738 0.000 0.048) 0.739 8.333 ( -3.680 0.000 3.389) 5.003 8.408 ( -6.134 0.000 -3.949) 7.295 8.629 ( -6.160 0.000 1.709) 6.393 8.678 ( -5.114 0.000 -3.113) 5.987 9.057 ( -2.480 0.000 -0.295) 2.498 9.060 ( -4.018 0.000 -0.223) 4.024 9.477 ( 0.074 0.000 1.405) 1.407 9.511 ( -1.398 0.000 -1.297) 1.907 9.558 ( -1.121 0.000 -1.566) 1.926 9.570 ( -2.168 0.000 -2.184) 3.077 10.157 ( 4.832 0.000 1.600) 5.090 10.183 ( 4.798 0.000 -0.708) 4.850 10.359 ( 7.036 0.000 1.533) 7.201 10.416 ( 5.818 0.000 -3.170) 6.626 11.013 ( 7.759 0.000 2.710) 8.218 11.050 ( 7.991 0.000 -0.774) 8.029 11.514 ( 5.394 0.000 0.522) 5.419 11.548 ( 4.687 0.000 -2.830) 5.476 12.424 ( -0.257 0.000 4.580) 4.587 12.482 ( -0.991 0.000 -1.006) 1.412 12.589 ( 1.455 0.000 5.774) 5.954 12.654 ( 4.730 0.000 0.007) 4.730 12.829 ( 1.142 0.000 1.989) 2.293 12.930 ( -6.943 0.000 -6.387) 9.434 13.756 ( 6.407 0.000 5.510) 8.450 13.859 ( 5.024 0.000 -4.237) 6.573 14.136 ( -0.348 0.000 1.294) 1.340 14.166 ( -1.498 0.000 -1.319) 1.995 14.400 ( -4.474 0.000 4.237) 6.162 14.486 ( -4.602 0.000 -4.090) 6.157 14.949 ( -3.383 0.000 5.937) 6.833 15.038 ( -3.722 0.000 -2.453) 4.458 15.200 ( -7.337 0.000 6.095) 9.538 15.384 ( -11.378 0.000 -11.577) 16.232 16.216 ( 5.488 0.000 2.501) 6.031 16.273 ( 5.500 0.000 -2.824) 6.183 16.689 ( -3.275 0.000 8.037) 8.678 16.841 ( -3.712 0.000 -6.890) 7.826 17.177 ( 7.214 0.000 0.749) 7.253 17.236 ( 6.616 0.000 -4.707) 8.120 17.683 ( 4.246 0.000 4.743) 6.366 17.754 ( 3.712 0.000 -1.847) 4.146 17.983 ( 2.356 0.000 10.146) 10.416 18.142 ( -1.944 0.000 -5.376) 5.716 18.519 ( 2.537 0.000 1.096) 2.763 18.581 ( 2.174 0.000 -4.425) 4.930 18.771 ( 2.405 0.000 3.639) 4.362 18.831 ( 2.330 0.000 -2.263) 3.249 19.036 ( -6.872 0.000 7.135) 9.906 19.218 ( -6.642 0.000 -9.688) 11.746 19.382 ( 1.455 0.000 0.673) 1.603 19.406 ( 0.718 0.000 -2.791) 2.882 20.252 ( 3.267 0.000 3.189) 4.565 20.317 ( 6.504 0.000 -3.393) 7.336 20.627 ( 1.557 0.000 1.612) 2.241 20.670 ( -3.316 0.000 -2.237) 4.000 20.867 ( -0.567 0.000 4.272) 4.310 20.971 ( -1.554 0.000 -6.055) 6.251 21.591 ( -1.472 0.000 3.142) 3.470 21.630 ( -1.360 0.000 -0.705) 1.532 21.932 ( -4.568 0.000 5.829) 7.406 22.054 ( -6.419 0.000 -6.048) 8.819 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 4.898 0.000 7.875) 9.274 2.471 ( -5.102 0.000 -1.958) 5.465 2.593 ( 13.909 0.000 6.492) 15.350 2.750 ( 8.180 0.000 -8.422) 11.741 2.945 ( 6.079 0.000 -2.951) 6.757 2.990 ( -1.460 0.000 -5.327) 5.524 3.304 ( -8.318 0.000 5.369) 9.900 3.408 ( -2.317 0.000 -0.803) 2.452 3.536 ( -3.564 0.000 2.051) 4.112 3.555 ( -4.699 0.000 -0.101) 4.700 3.703 ( -3.043 0.000 -0.265) 3.054 3.779 ( 1.231 0.000 -4.019) 4.203 3.823 ( -6.020 0.000 8.530) 10.441 3.910 ( -0.242 0.000 2.099) 2.113 3.966 ( -1.826 0.000 -5.278) 5.585 4.072 ( 1.498 0.000 -10.540) 10.646 4.308 ( -0.687 0.000 2.171) 2.277 4.342 ( -5.393 0.000 -0.589) 5.425 4.681 ( -1.295 0.000 0.918) 1.588 4.731 ( -4.301 0.000 -4.153) 5.978 4.956 ( 18.615 0.000 8.790) 20.586 5.114 ( 16.366 0.000 -5.155) 17.159 5.245 ( 1.336 0.000 10.356) 10.442 5.346 ( 4.470 0.000 1.950) 4.877 5.423 ( 4.680 0.000 0.580) 4.715 5.467 ( 0.869 0.000 -5.202) 5.275 5.549 ( 3.063 0.000 7.761) 8.344 5.711 ( 4.249 0.000 -5.571) 7.006 5.838 ( -6.161 0.000 8.692) 10.654 5.876 ( -4.275 0.000 5.855) 7.250 5.983 ( -0.877 0.000 -5.930) 5.994 6.043 ( -4.299 0.000 -9.086) 10.052 6.344 ( -10.096 0.000 1.318) 10.181 6.374 ( -8.593 0.000 -0.682) 8.620 6.422 ( 2.046 0.000 1.384) 2.470 6.440 ( 1.512 0.000 -0.525) 1.601 6.759 ( 6.232 0.000 1.903) 6.516 6.878 ( 3.848 0.000 -8.600) 9.422 7.099 ( -6.388 0.000 0.862) 6.446 7.122 ( -4.213 0.000 -1.433) 4.450 7.750 ( -0.559 0.000 2.358) 2.424 7.767 ( -1.332 0.000 0.787) 1.547 7.991 ( 5.440 0.000 2.184) 5.862 8.015 ( 7.260 0.000 -0.017) 7.260 8.130 ( -2.151 0.000 4.515) 5.001 8.185 ( -1.406 0.000 0.509) 1.495 8.299 ( 0.052 0.000 0.508) 0.510 8.311 ( -3.127 0.000 -2.294) 3.878 8.493 ( -7.260 0.000 1.286) 7.373 8.540 ( -8.382 0.000 -3.209) 8.975 9.012 ( -1.244 0.000 0.198) 1.259 9.023 ( -1.316 0.000 -1.003) 1.655 9.469 ( -0.317 0.000 1.380) 1.416 9.512 ( -0.756 0.000 -2.339) 2.458 9.517 ( -0.091 0.000 0.235) 0.252 9.561 ( -0.386 0.000 -3.611) 3.632 10.231 ( 2.874 0.000 1.120) 3.084 10.249 ( 2.131 0.000 -0.506) 2.190 10.467 ( 4.169 0.000 0.803) 4.246 10.498 ( 2.638 0.000 -1.756) 3.169 11.125 ( 4.091 0.000 2.802) 4.959 11.153 ( 2.968 0.000 0.260) 2.979 11.592 ( 2.779 0.000 0.038) 2.779 11.611 ( 1.914 0.000 -1.940) 2.725 12.426 ( 0.450 0.000 3.802) 3.829 12.459 ( -1.216 0.000 0.291) 1.250 12.610 ( 1.489 0.000 4.174) 4.431 12.712 ( -1.277 0.000 -4.985) 5.146 12.859 ( 2.771 0.000 1.059) 2.966 12.896 ( 2.624 0.000 -2.263) 3.465 13.865 ( 4.656 0.000 4.372) 6.387 13.922 ( 1.576 0.000 -0.840) 1.785 14.145 ( 0.922 0.000 1.303) 1.596 14.164 ( 1.492 0.000 -0.683) 1.641 14.320 ( -3.697 0.000 3.636) 5.186 14.394 ( -5.243 0.000 -3.405) 6.252 14.897 ( -1.520 0.000 5.312) 5.526 14.951 ( -4.118 0.000 0.777) 4.191 15.118 ( -2.035 0.000 -0.842) 2.202 15.205 ( -7.123 0.000 -9.297) 11.712 16.310 ( 4.164 0.000 3.234) 5.272 16.357 ( 2.772 0.000 -0.538) 2.824 16.649 ( -0.435 0.000 4.029) 4.053 16.760 ( -4.559 0.000 -6.158) 7.662 17.299 ( 5.356 0.000 -0.096) 5.357 17.340 ( 3.883 0.000 -3.872) 5.484 17.782 ( 5.591 0.000 4.112) 6.941 17.833 ( 3.956 0.000 -0.770) 4.030 17.993 ( -1.105 0.000 5.818) 5.922 18.068 ( -4.934 0.000 -2.130) 5.374 18.568 ( 2.888 0.000 1.999) 3.513 18.622 ( 1.930 0.000 -2.483) 3.145 18.805 ( 0.445 0.000 4.272) 4.295 18.869 ( 0.347 0.000 -2.025) 2.054 18.935 ( -1.733 0.000 3.474) 3.882 19.067 ( -7.875 0.000 -8.164) 11.343 19.412 ( 1.442 0.000 0.619) 1.569 19.424 ( 0.818 0.000 -0.654) 1.047 20.289 ( 1.319 0.000 1.962) 2.364 20.369 ( -1.118 0.000 -5.543) 5.655 20.650 ( 2.084 0.000 1.933) 2.842 20.679 ( 2.279 0.000 -0.935) 2.464 20.857 ( -0.192 0.000 2.969) 2.975 20.929 ( -2.783 0.000 -4.150) 4.997 21.574 ( -0.190 0.000 3.238) 3.243 21.604 ( -1.312 0.000 0.295) 1.345 21.877 ( -1.292 0.000 2.564) 2.871 21.948 ( -4.627 0.000 -4.165) 6.226 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -2.270 0.000 3.453) 4.132 2.384 ( 2.270 0.000 3.453) 4.132 2.778 ( -5.680 0.000 -3.898) 6.889 2.778 ( 5.680 0.000 -3.898) 6.889 3.083 ( -11.273 0.000 2.986) 11.662 3.083 ( 11.273 0.000 2.986) 11.662 3.193 ( -14.244 0.000 -7.047) 15.891 3.193 ( 14.244 0.000 -7.047) 15.891 3.579 ( -1.892 0.000 7.921) 8.144 3.579 ( 1.892 0.000 7.921) 8.144 3.670 ( -5.368 0.000 2.687) 6.003 3.670 ( 5.368 0.000 2.687) 6.003 3.824 ( -3.855 0.000 -4.247) 5.736 3.824 ( 3.855 0.000 -4.247) 5.736 4.055 ( -4.580 0.000 -4.699) 6.561 4.055 ( 4.580 0.000 -4.699) 6.561 4.293 ( -0.518 0.000 0.148) 0.539 4.293 ( 0.518 0.000 0.148) 0.539 4.660 ( -1.756 0.000 -4.126) 4.484 4.660 ( 1.756 0.000 -4.126) 4.484 5.213 ( -6.411 0.000 9.801) 11.712 5.213 ( 6.411 0.000 9.801) 11.712 5.339 ( -6.274 0.000 -0.525) 6.296 5.339 ( 6.274 0.000 -0.525) 6.296 5.486 ( -1.445 0.000 -0.677) 1.596 5.486 ( 1.445 0.000 -0.677) 1.596 5.674 ( -9.636 0.000 6.458) 11.600 5.674 ( 9.636 0.000 6.458) 11.600 5.788 ( -4.857 0.000 -1.593) 5.111 5.788 ( 4.857 0.000 -1.593) 5.111 6.025 ( -2.246 0.000 -1.262) 2.576 6.025 ( 2.246 0.000 -1.262) 2.576 6.216 ( -3.543 0.000 -2.979) 4.629 6.216 ( 3.543 0.000 -2.979) 4.629 6.451 ( -0.549 0.000 0.313) 0.632 6.451 ( 0.549 0.000 0.313) 0.632 6.877 ( -4.805 0.000 -1.804) 5.133 6.877 ( 4.805 0.000 -1.804) 5.133 7.057 ( -2.296 0.000 -1.792) 2.912 7.057 ( 2.296 0.000 -1.792) 2.912 7.746 ( -0.519 0.000 1.521) 1.607 7.746 ( 0.519 0.000 1.521) 1.607 8.078 ( -2.956 0.000 2.681) 3.991 8.078 ( 2.956 0.000 2.681) 3.991 8.136 ( -4.193 0.000 1.867) 4.589 8.136 ( 4.193 0.000 1.867) 4.590 8.302 ( -1.137 0.000 -2.741) 2.967 8.302 ( 1.137 0.000 -2.741) 2.967 8.417 ( -2.043 0.000 -0.177) 2.051 8.417 ( 2.043 0.000 -0.177) 2.051 9.006 ( -0.422 0.000 -0.494) 0.649 9.006 ( 0.422 0.000 -0.494) 0.649 9.479 ( -1.295 0.000 0.888) 1.571 9.479 ( 1.295 0.000 0.888) 1.571 9.544 ( -1.359 0.000 -3.185) 3.463 9.544 ( 1.359 0.000 -3.185) 3.463 10.264 ( -0.535 0.000 0.310) 0.619 10.264 ( 0.535 0.000 0.310) 0.619 10.515 ( -0.810 0.000 -0.378) 0.894 10.515 ( 0.810 0.000 -0.378) 0.894 11.172 ( -0.829 0.000 1.739) 1.926 11.172 ( 0.829 0.000 1.739) 1.926 11.623 ( -0.549 0.000 -0.869) 1.028 11.623 ( 0.549 0.000 -0.869) 1.028 12.439 ( -0.858 0.000 2.326) 2.480 12.439 ( 0.858 0.000 2.326) 2.480 12.655 ( -3.166 0.000 -1.298) 3.422 12.655 ( 3.166 0.000 -1.298) 3.422 12.917 ( -1.310 0.000 -0.485) 1.397 12.917 ( 1.310 0.000 -0.485) 1.397 13.923 ( -1.440 0.000 1.925) 2.404 13.923 ( 1.440 0.000 1.925) 2.404 14.175 ( -1.545 0.000 1.699) 2.297 14.175 ( 1.545 0.000 1.699) 2.297 14.302 ( -3.104 0.000 -0.694) 3.181 14.302 ( 3.104 0.000 -0.694) 3.181 14.898 ( -1.509 0.000 3.060) 3.411 14.898 ( 1.509 0.000 3.060) 3.411 15.117 ( -2.142 0.000 -5.686) 6.076 15.117 ( 2.142 0.000 -5.686) 6.076 16.367 ( -1.575 0.000 2.850) 3.256 16.367 ( 1.575 0.000 2.850) 3.256 16.680 ( -3.409 0.000 -2.562) 4.264 16.680 ( 3.409 0.000 -2.562) 4.264 17.367 ( -1.297 0.000 -1.901) 2.301 17.367 ( 1.297 0.000 -1.901) 2.301 17.866 ( -1.940 0.000 1.832) 2.669 17.866 ( 1.940 0.000 1.832) 2.669 17.988 ( -2.368 0.000 1.365) 2.733 17.988 ( 2.368 0.000 1.365) 2.733 18.622 ( -2.178 0.000 1.327) 2.550 18.622 ( 2.178 0.000 1.327) 2.550 18.830 ( -3.078 0.000 0.487) 3.116 18.830 ( 3.078 0.000 0.487) 3.116 18.961 ( -3.092 0.000 -2.708) 4.110 18.961 ( 3.092 0.000 -2.708) 4.110 19.430 ( -0.323 0.000 0.232) 0.398 19.430 ( 0.323 0.000 0.232) 0.398 20.324 ( -2.498 0.000 -2.444) 3.495 20.324 ( 2.498 0.000 -2.444) 3.495 20.693 ( -1.242 0.000 1.106) 1.663 20.693 ( 1.242 0.000 1.106) 1.663 20.876 ( -2.335 0.000 -0.825) 2.477 20.876 ( 2.335 0.000 -0.825) 2.477 21.582 ( -0.893 0.000 1.894) 2.094 21.582 ( 0.893 0.000 1.894) 2.094 21.884 ( -1.989 0.000 -1.054) 2.251 21.884 ( 1.989 0.000 -1.054) 2.251 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 16.297 25.386) 30.167 1.533 ( 0.000 15.132 28.288) 32.081 1.957 ( 0.000 10.526 -24.756) 26.901 2.086 ( 0.000 11.166 -22.551) 25.164 2.675 ( 0.000 11.664 39.543) 41.227 2.905 ( 0.000 -6.714 7.089) 9.764 3.019 ( 0.000 -1.956 12.447) 12.600 3.095 ( 0.000 -12.989 12.284) 17.877 3.434 ( 0.000 -13.427 -16.119) 20.978 3.684 ( 0.000 0.396 -18.217) 18.222 3.730 ( 0.000 2.401 -2.183) 3.245 3.787 ( 0.000 2.195 -5.012) 5.471 3.873 ( 0.000 4.735 -4.180) 6.316 3.948 ( 0.000 3.416 -9.781) 10.360 4.184 ( 0.000 2.178 5.210) 5.646 4.321 ( 0.000 -0.315 -5.663) 5.672 4.491 ( 0.000 -2.127 5.777) 6.157 4.585 ( 0.000 -2.264 -2.221) 3.172 4.790 ( 0.000 -2.206 0.237) 2.219 4.832 ( 0.000 -6.968 -3.749) 7.912 4.901 ( 0.000 -5.087 8.848) 10.206 5.058 ( 0.000 -0.431 -2.912) 2.943 5.126 ( 0.000 1.580 9.026) 9.163 5.206 ( 0.000 3.344 3.481) 4.826 5.326 ( 0.000 3.761 -7.178) 8.104 5.433 ( 0.000 1.045 -12.812) 12.854 5.585 ( 0.000 9.093 3.544) 9.759 5.659 ( 0.000 7.169 -4.265) 8.342 5.890 ( 0.000 0.128 4.196) 4.198 5.950 ( 0.000 -1.489 -1.831) 2.361 6.064 ( 0.000 0.469 -0.195) 0.508 6.147 ( 0.000 -1.167 -6.324) 6.430 6.301 ( 0.000 -1.753 1.806) 2.517 6.383 ( 0.000 -2.017 -5.062) 5.449 6.513 ( 0.000 -1.760 2.169) 2.793 6.543 ( 0.000 -0.519 -0.647) 0.830 6.844 ( 0.000 5.302 4.238) 6.788 6.924 ( 0.000 2.539 -2.939) 3.884 7.324 ( 0.000 -2.738 2.465) 3.684 7.383 ( 0.000 -3.404 -3.072) 4.585 7.625 ( 0.000 2.037 7.021) 7.311 7.719 ( 0.000 0.830 -2.314) 2.458 8.062 ( 0.000 -1.583 4.326) 4.607 8.110 ( 0.000 -4.558 3.852) 5.968 8.146 ( 0.000 -1.887 -1.304) 2.294 8.198 ( 0.000 -7.445 -2.015) 7.713 8.347 ( 0.000 -2.705 8.757) 9.166 8.508 ( 0.000 -4.713 -6.345) 7.904 8.756 ( 0.000 0.068 5.551) 5.551 8.885 ( 0.000 4.371 -6.795) 8.079 9.076 ( 0.000 -5.053 2.595) 5.680 9.133 ( 0.000 -3.554 -2.904) 4.590 9.549 ( 0.000 1.538 3.964) 4.252 9.618 ( 0.000 -0.443 -1.777) 1.832 9.680 ( 0.000 0.530 4.150) 4.184 9.780 ( 0.000 0.742 -4.551) 4.611 9.885 ( 0.000 -1.933 3.557) 4.048 9.966 ( 0.000 -1.367 -2.771) 3.090 9.990 ( 0.000 1.295 0.126) 1.301 10.043 ( 0.000 1.420 -3.587) 3.858 10.587 ( 0.000 7.686 0.795) 7.727 10.616 ( 0.000 6.539 -1.665) 6.748 11.159 ( 0.000 -4.111 4.145) 5.838 11.253 ( 0.000 -5.313 -4.785) 7.150 12.380 ( 0.000 -3.698 5.902) 6.965 12.449 ( 0.000 -1.308 -0.365) 1.358 12.519 ( 0.000 1.541 0.159) 1.549 12.541 ( 0.000 -0.387 -1.237) 1.296 13.165 ( 0.000 -6.848 6.983) 9.780 13.224 ( 0.000 -2.684 -0.902) 2.832 13.497 ( 0.000 0.496 0.984) 1.102 13.613 ( 0.000 0.841 -8.580) 8.622 14.303 ( 0.000 4.661 4.292) 6.336 14.398 ( 0.000 9.596 -5.316) 10.970 14.729 ( 0.000 -2.539 5.512) 6.069 14.786 ( 0.000 -0.325 -1.374) 1.412 14.871 ( 0.000 2.865 5.140) 5.884 14.997 ( 0.000 -0.280 -5.666) 5.673 15.694 ( 0.000 -0.839 3.095) 3.207 15.762 ( 0.000 -2.542 -3.577) 4.388 16.135 ( 0.000 -0.298 1.534) 1.562 16.200 ( 0.000 1.559 -4.587) 4.845 16.690 ( 0.000 -10.458 1.742) 10.603 16.699 ( 0.000 -7.313 0.814) 7.359 16.941 ( 0.000 4.514 2.494) 5.158 16.982 ( 0.000 2.742 -1.344) 3.054 17.540 ( 0.000 -8.987 2.394) 9.301 17.587 ( 0.000 -9.116 -2.364) 9.418 17.958 ( 0.000 4.233 6.365) 7.644 18.069 ( 0.000 4.203 -4.713) 6.314 18.358 ( 0.000 0.823 3.158) 3.264 18.428 ( 0.000 3.653 -3.389) 4.983 18.843 ( 0.000 3.369 0.152) 3.373 18.884 ( 0.000 8.540 -3.953) 9.411 18.996 ( 0.000 0.682 1.216) 1.394 19.016 ( 0.000 0.037 -0.623) 0.624 19.415 ( 0.000 6.043 0.875) 6.106 19.458 ( 0.000 11.561 -4.002) 12.234 20.062 ( 0.000 -2.054 4.735) 5.161 20.149 ( 0.000 -1.793 -3.384) 3.830 20.610 ( 0.000 4.823 10.335) 11.405 20.816 ( 0.000 1.768 -7.408) 7.616 20.935 ( 0.000 -1.502 -0.780) 1.692 20.981 ( 0.000 0.073 -4.367) 4.368 21.628 ( 0.000 -0.812 2.348) 2.484 21.666 ( 0.000 -1.405 -1.301) 1.915 22.274 ( 0.000 -4.660 1.504) 4.897 22.294 ( 0.000 -3.530 -0.529) 3.569 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 10.843 12.658 23.790) 29.047 1.689 ( 13.370 12.687 22.858) 29.364 2.055 ( 9.474 8.374 -22.220) 25.566 2.205 ( 10.924 9.802 -20.844) 25.493 2.804 ( 11.671 4.584 27.453) 30.181 2.975 ( 7.366 -5.234 8.287) 12.261 3.086 ( 7.272 -0.019 19.226) 20.555 3.104 ( 1.457 -10.774 9.790) 14.631 3.438 ( -0.012 -12.761 -15.338) 19.953 3.656 ( -3.426 0.265 -4.653) 5.784 3.750 ( -0.038 0.041 -2.610) 2.611 3.778 ( 1.001 1.455 -7.630) 7.832 3.878 ( 1.264 4.627 -9.161) 10.341 3.928 ( -1.542 3.792 -9.600) 10.436 4.190 ( 0.458 2.954 4.764) 5.624 4.331 ( -0.263 0.559 -5.621) 5.655 4.445 ( -3.020 -0.699 4.169) 5.195 4.532 ( -4.523 -0.973 -3.187) 5.618 4.725 ( -7.018 0.961 2.681) 7.574 4.795 ( -5.045 -3.425 -4.387) 7.512 4.904 ( -0.769 -5.952 4.716) 7.633 4.967 ( -5.755 -2.351 0.561) 6.242 5.123 ( -0.245 0.802 2.918) 3.036 5.201 ( -0.379 2.982 2.649) 4.007 5.332 ( 0.168 2.696 -5.469) 6.100 5.425 ( -1.144 5.707 -8.195) 10.052 5.584 ( 1.374 5.785 4.861) 7.680 5.655 ( 0.173 7.570 -3.303) 8.261 5.941 ( 4.235 -1.448 3.992) 5.997 5.986 ( -0.369 -1.658 -0.019) 1.699 6.048 ( 2.425 -2.170 -1.649) 3.648 6.127 ( -1.334 -2.081 -6.420) 6.879 6.339 ( 2.707 -2.141 0.317) 3.466 6.388 ( -0.347 -2.511 -3.719) 4.501 6.541 ( 0.440 -1.513 2.746) 3.166 6.564 ( 1.650 -0.786 0.461) 1.885 6.822 ( -2.482 6.417 0.221) 6.884 6.851 ( -5.353 5.351 -2.238) 7.893 7.303 ( -2.048 -4.377 4.041) 6.299 7.389 ( -0.189 -5.948 -4.527) 7.477 7.667 ( 3.419 1.410 5.291) 6.455 7.730 ( 1.202 1.298 -1.082) 2.073 7.999 ( -7.437 -2.418 3.588) 8.605 8.030 ( -5.819 -3.362 1.107) 6.811 8.124 ( -1.814 -1.360 2.835) 3.630 8.158 ( -0.068 -0.908 -0.386) 0.989 8.419 ( 2.994 -4.463 5.459) 7.661 8.528 ( 1.135 -5.431 -4.901) 7.403 8.696 ( -3.280 0.822 3.944) 5.196 8.798 ( -6.341 3.283 -5.591) 9.069 9.095 ( -0.251 -5.960 3.264) 6.800 9.153 ( -0.474 -5.572 -2.302) 6.047 9.528 ( -1.587 2.072 4.033) 4.803 9.599 ( -1.645 1.713 -1.167) 2.646 9.667 ( -2.986 0.583 0.133) 3.045 9.719 ( -2.446 1.049 -2.960) 3.980 9.937 ( 4.612 -1.131 1.352) 4.937 9.971 ( 3.213 -0.366 -1.346) 3.503 10.065 ( 6.098 1.017 1.093) 6.278 10.127 ( 6.610 -0.464 -3.987) 7.733 10.693 ( 9.687 6.838 0.428) 11.865 10.707 ( 8.733 6.249 -0.773) 10.766 11.228 ( 6.515 -3.393 2.672) 7.816 11.302 ( 4.826 -4.547 -4.247) 7.874 12.384 ( 0.402 -3.554 5.746) 6.769 12.451 ( 0.031 -2.265 -0.036) 2.266 12.530 ( 1.248 1.296 0.804) 1.970 12.560 ( 1.854 0.462 -1.586) 2.483 13.072 ( -7.235 0.593 10.853) 13.056 13.231 ( -2.186 -1.806 -5.129) 5.860 13.504 ( 1.554 -2.692 1.784) 3.584 13.614 ( 0.997 -1.938 -7.996) 8.287 14.277 ( -2.709 4.350 3.437) 6.171 14.341 ( -4.904 8.417 -2.917) 10.169 14.599 ( -7.092 -1.460 6.280) 9.585 14.696 ( -6.735 -0.528 -3.319) 7.527 14.996 ( 5.731 0.802 1.344) 5.941 15.026 ( 1.817 1.047 -1.444) 2.546 15.616 ( -8.272 -0.271 5.568) 9.975 15.744 ( -3.518 -3.038 -6.736) 8.184 16.103 ( -1.209 1.125 1.378) 2.151 16.154 ( -1.990 2.346 -3.288) 4.503 16.702 ( 0.944 -8.650 4.016) 9.584 16.753 ( 3.540 -9.161 -0.909) 9.863 17.000 ( 3.590 4.367 0.194) 5.657 17.023 ( 5.650 4.166 -1.702) 7.224 17.566 ( 2.187 -7.146 2.751) 7.963 17.620 ( 2.830 -7.772 -2.576) 8.663 17.926 ( -1.601 4.947 7.326) 8.983 18.071 ( 0.996 3.063 -6.683) 7.419 18.404 ( 3.651 -0.238 3.064) 4.772 18.465 ( 3.238 2.633 -2.820) 5.036 18.799 ( -3.349 3.440 0.827) 4.871 18.826 ( -2.216 2.783 -1.814) 3.993 19.053 ( 2.570 -2.610 1.911) 4.132 19.103 ( 4.718 -3.593 -3.134) 6.708 19.444 ( 2.619 7.821 1.524) 8.387 19.509 ( 4.641 12.788 -5.788) 14.784 20.064 ( 1.149 -1.302 3.932) 4.298 20.144 ( 0.079 -1.343 -3.507) 3.756 20.622 ( 0.901 4.151 9.344) 10.264 20.815 ( -0.574 1.763 -8.010) 8.222 20.907 ( -2.227 -0.867 1.923) 3.067 20.985 ( 0.118 -0.504 -5.198) 5.224 21.624 ( -0.422 -0.945 2.215) 2.445 21.659 ( -0.796 -1.522 -1.048) 2.012 22.185 ( -6.961 -2.413 4.979) 8.893 22.269 ( -3.793 -3.445 -3.704) 6.323 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 18.614 7.395 17.727) 26.748 1.976 ( 16.195 8.391 16.270) 24.442 2.274 ( 12.418 4.900 -16.183) 20.979 2.425 ( 10.674 6.724 -17.261) 21.380 2.955 ( 2.445 -7.238 12.761) 14.873 3.122 ( 1.293 -10.320 -1.398) 10.495 3.181 ( 10.593 -8.394 6.598) 15.040 3.359 ( 15.153 5.295 19.531) 25.281 3.398 ( -0.583 -5.378 -1.849) 5.717 3.599 ( -1.272 -1.696 -3.269) 3.896 3.715 ( -1.606 0.586 -1.271) 2.130 3.796 ( -0.551 -1.185 -0.204) 1.322 3.880 ( -1.077 2.595 -5.244) 5.949 3.945 ( 1.695 3.576 -9.171) 9.989 4.174 ( -3.931 0.544 2.901) 4.916 4.270 ( -3.827 2.083 -0.892) 4.447 4.399 ( -4.799 -0.421 -3.617) 6.024 4.479 ( -0.648 3.776 -7.273) 8.221 4.607 ( -2.569 3.428 1.450) 4.523 4.645 ( -4.959 3.289 -1.469) 6.129 4.854 ( -3.939 1.419 1.991) 4.637 4.902 ( -2.117 -1.770 -3.051) 4.114 5.124 ( 0.925 -1.074 3.942) 4.189 5.219 ( 2.134 -2.414 -1.950) 3.766 5.332 ( 0.456 3.966 2.025) 4.476 5.412 ( -0.277 3.090 -2.666) 4.090 5.628 ( 2.130 6.366 3.733) 7.681 5.675 ( 1.885 7.095 -1.673) 7.529 5.934 ( -2.948 0.211 3.968) 4.948 6.005 ( 0.587 -2.830 0.671) 2.967 6.108 ( 1.490 -3.297 -4.058) 5.437 6.141 ( 2.797 -4.203 -4.371) 6.678 6.354 ( -2.436 -4.901 1.226) 5.609 6.374 ( -0.403 -2.885 -0.994) 3.078 6.495 ( -2.966 1.278 1.868) 3.731 6.539 ( -4.975 0.999 -1.616) 5.325 6.738 ( -2.621 5.380 1.809) 6.252 6.827 ( 0.095 4.171 -5.719) 7.079 7.241 ( -4.411 -6.343 4.612) 8.998 7.344 ( -4.990 -7.441 -5.421) 10.472 7.727 ( 2.455 0.677 3.672) 4.468 7.758 ( 1.903 2.232 1.307) 3.211 7.886 ( -3.380 -0.977 2.440) 4.281 7.920 ( -3.531 -2.125 -0.190) 4.126 8.128 ( 1.186 0.416 3.350) 3.578 8.167 ( 0.946 -0.125 -0.088) 0.958 8.412 ( -3.262 -0.865 4.660) 5.753 8.503 ( -3.864 -2.826 -3.609) 5.995 8.677 ( -1.539 -2.451 0.105) 2.896 8.707 ( -1.795 0.325 -2.294) 2.930 9.034 ( -4.968 -7.374 3.251) 9.467 9.092 ( -5.214 -6.532 -2.177) 8.637 9.517 ( 0.135 3.156 1.670) 3.574 9.558 ( -1.562 2.764 -1.386) 3.464 9.619 ( -1.841 2.442 0.948) 3.202 9.682 ( -2.021 3.559 -3.998) 5.722 10.046 ( 6.278 -0.595 1.588) 6.503 10.074 ( 6.378 -0.150 -0.483) 6.398 10.198 ( 7.520 -0.980 1.209) 7.679 10.262 ( 7.127 -2.028 -3.838) 8.345 10.890 ( 10.140 5.584 1.422) 11.663 10.913 ( 11.355 5.828 -0.837) 12.791 11.370 ( 7.559 -2.343 0.968) 7.973 11.416 ( 6.500 -3.019 -3.397) 7.931 12.395 ( 0.695 -2.700 5.196) 5.897 12.451 ( 0.135 -2.687 0.419) 2.723 12.566 ( 2.291 1.023 2.026) 3.224 12.601 ( 2.139 0.289 -1.143) 2.443 12.941 ( -5.396 6.304 9.627) 12.710 13.122 ( -8.132 3.016 -7.566) 11.509 13.570 ( 4.928 -6.278 3.607) 8.759 13.673 ( 4.701 -6.750 -6.233) 10.320 14.213 ( -3.130 4.143 2.925) 5.960 14.262 ( -3.132 5.141 -1.877) 6.306 14.490 ( -4.816 -0.129 4.258) 6.430 14.576 ( -5.422 -0.500 -4.005) 6.759 15.017 ( -1.589 1.430 3.692) 4.266 15.069 ( 0.989 0.746 -1.218) 1.737 15.409 ( -12.115 0.959 7.025) 14.037 15.593 ( -11.292 -2.407 -10.647) 15.706 16.133 ( 4.058 1.864 2.056) 4.916 16.184 ( 4.421 1.549 -2.894) 5.506 16.694 ( -1.564 -5.809 6.990) 9.222 16.806 ( 1.400 -7.481 -3.896) 8.550 17.091 ( 6.017 4.368 0.721) 7.470 17.141 ( 5.993 3.785 -4.148) 8.213 17.614 ( 2.938 -3.295 3.471) 5.616 17.669 ( 2.506 -4.024 -1.433) 4.953 17.935 ( 2.232 3.030 8.491) 9.288 18.112 ( 2.410 -0.401 -8.121) 8.480 18.472 ( 3.403 -0.528 2.536) 4.276 18.527 ( 2.957 0.171 -2.847) 4.108 18.759 ( -0.946 1.334 1.875) 2.488 18.798 ( -0.722 0.146 -1.763) 1.911 19.062 ( -1.822 -5.120 3.239) 6.326 19.134 ( -0.995 -8.261 -3.584) 9.059 19.481 ( 0.791 9.644 2.625) 10.026 19.572 ( 1.023 11.750 -7.029) 13.730 20.131 ( 5.203 -2.377 2.541) 6.260 20.185 ( 4.567 -0.865 -2.966) 5.514 20.634 ( 0.394 2.985 6.212) 6.903 20.771 ( -4.013 1.843 -6.148) 7.569 20.879 ( -0.576 -0.027 3.811) 3.854 20.980 ( -0.666 -1.060 -6.039) 6.168 21.611 ( -1.001 -0.860 2.266) 2.622 21.640 ( -0.952 -1.421 -0.386) 1.753 22.048 ( -6.843 -0.106 6.138) 9.193 22.165 ( -6.468 -2.085 -5.570) 8.787 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 16.854 4.836 12.005) 21.250 2.292 ( 16.554 3.749 11.454) 20.476 2.488 ( 8.422 2.769 -11.555) 14.565 2.595 ( 7.894 3.451 -11.681) 14.514 2.942 ( -2.826 -3.832 7.591) 8.961 3.066 ( -6.355 -3.712 -3.742) 8.256 3.273 ( -2.893 -8.677 4.881) 10.367 3.343 ( 2.754 -7.727 -3.428) 8.891 3.549 ( -1.539 -3.999 1.968) 4.715 3.649 ( 3.077 -2.264 -3.940) 5.488 3.749 ( 2.785 1.574 4.267) 5.333 3.767 ( -1.462 0.967 -0.401) 1.798 3.877 ( -0.410 3.520 1.121) 3.717 3.927 ( -1.697 2.480 -1.110) 3.204 4.076 ( -4.087 -0.891 -0.863) 4.272 4.160 ( -8.861 2.263 -4.737) 10.299 4.329 ( -0.220 1.623 3.340) 3.720 4.448 ( -2.323 2.824 -4.892) 6.107 4.603 ( 7.657 4.987 8.750) 12.652 4.783 ( 7.551 1.394 -0.766) 7.717 4.811 ( 1.850 5.055 0.810) 5.444 4.883 ( 2.698 5.037 -11.219) 12.591 5.157 ( 1.905 -3.853 6.587) 7.865 5.259 ( 1.934 -4.073 -2.983) 5.407 5.360 ( 2.796 3.577 3.985) 6.041 5.415 ( 0.852 1.689 1.042) 2.160 5.635 ( -1.233 7.081 4.264) 8.358 5.723 ( 2.885 5.820 -3.282) 7.278 5.895 ( -0.935 1.498 3.365) 3.800 5.951 ( -5.248 -1.293 -0.784) 5.461 6.101 ( -4.130 -1.718 -1.901) 4.860 6.136 ( -2.767 -0.456 -4.109) 4.975 6.320 ( 0.211 -4.503 2.572) 5.190 6.360 ( -0.192 -2.922 -1.054) 3.112 6.443 ( -3.528 -3.363 0.968) 4.969 6.467 ( -2.751 -2.154 -1.266) 3.717 6.718 ( 0.627 3.425 2.288) 4.167 6.834 ( 1.116 2.183 -7.576) 7.963 7.150 ( -4.593 -5.448 2.692) 7.618 7.215 ( -7.558 -4.865 -3.342) 9.590 7.750 ( 0.687 0.539 3.561) 3.666 7.794 ( 0.501 1.249 -0.341) 1.388 7.887 ( 3.817 -0.827 2.903) 4.866 7.920 ( 2.915 -0.324 -0.402) 2.960 8.143 ( -0.073 -0.361 3.916) 3.933 8.187 ( 0.672 -0.192 -0.432) 0.822 8.327 ( -4.890 -0.725 2.606) 5.588 8.394 ( -6.557 -1.417 -3.286) 7.470 8.608 ( -4.972 -1.522 2.572) 5.801 8.674 ( -3.733 -0.248 -3.500) 5.123 8.958 ( -2.504 -7.893 1.611) 8.436 8.999 ( -3.654 -6.182 -2.072) 7.474 9.523 ( 0.520 3.877 0.653) 3.966 9.549 ( 0.053 3.974 -1.176) 4.145 9.587 ( -1.420 3.788 1.097) 4.191 9.647 ( -1.577 5.463 -3.882) 6.884 10.156 ( 5.036 -0.189 1.825) 5.360 10.185 ( 4.877 -0.007 -0.627) 4.917 10.335 ( 6.538 -2.407 0.953) 7.032 10.385 ( 5.514 -3.075 -3.007) 6.993 11.059 ( 7.286 4.826 2.622) 9.124 11.096 ( 7.406 4.796 -0.878) 8.867 11.496 ( 5.417 -2.028 0.499) 5.806 11.528 ( 4.889 -2.122 -2.747) 5.996 12.411 ( 1.032 -0.938 4.478) 4.690 12.457 ( 0.412 -1.645 0.171) 1.705 12.590 ( -0.057 -0.657 4.507) 4.555 12.656 ( 3.592 -0.265 -1.364) 3.852 12.896 ( 0.483 6.730 2.202) 7.097 12.977 ( -5.665 5.179 -5.119) 9.226 13.672 ( 5.196 -7.965 4.681) 10.600 13.759 ( 3.542 -9.330 -3.556) 10.594 14.181 ( -0.122 3.886 1.919) 4.336 14.221 ( -1.017 4.442 -1.691) 4.860 14.408 ( -3.831 0.883 3.598) 5.330 14.487 ( -4.184 0.017 -3.931) 5.742 14.966 ( -3.298 1.770 6.004) 7.075 15.048 ( -3.231 0.905 -1.269) 3.588 15.206 ( -8.058 0.752 4.427) 9.225 15.370 ( -11.054 -1.444 -10.860) 15.563 16.228 ( 5.338 1.279 2.659) 6.099 16.285 ( 5.420 1.178 -2.580) 6.117 16.656 ( -2.058 -3.028 7.580) 8.418 16.799 ( -2.009 -4.284 -6.181) 7.785 17.212 ( 6.273 3.475 -0.203) 7.174 17.250 ( 5.459 1.835 -3.759) 6.877 17.682 ( 4.241 -1.186 3.780) 5.804 17.729 ( 3.710 -3.494 -0.313) 5.106 17.983 ( 2.263 1.974 7.480) 8.060 18.125 ( -1.320 -1.041 -5.792) 6.031 18.531 ( 2.756 -0.224 1.786) 3.292 18.581 ( 3.047 -1.283 -2.654) 4.239 18.760 ( 0.953 -0.633 2.201) 2.480 18.801 ( 0.875 -1.995 -1.285) 2.529 18.990 ( -5.280 -3.213 3.490) 7.098 19.079 ( -4.680 -8.715 -4.730) 10.965 19.491 ( 0.754 9.319 2.343) 9.639 19.564 ( -0.987 11.464 -5.228) 12.639 20.214 ( 2.796 -4.050 3.624) 6.112 20.286 ( 4.487 -3.330 -3.712) 6.709 20.646 ( 1.216 1.893 2.018) 3.022 20.695 ( -2.890 2.587 -2.412) 4.568 20.871 ( -0.550 0.324 3.020) 3.086 20.957 ( -1.784 -1.552 -5.362) 5.860 21.591 ( -0.719 0.095 3.226) 3.306 21.627 ( -0.489 -0.289 -0.220) 0.609 21.936 ( -4.809 0.415 4.625) 6.685 22.041 ( -6.266 -1.336 -5.496) 8.441 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 4.558 4.257 6.724) 9.172 2.495 ( -2.430 2.554 -1.221) 3.731 2.601 ( 10.560 0.619 6.140) 12.231 2.754 ( 7.298 0.140 -8.122) 10.920 2.943 ( 6.683 -0.065 -2.793) 7.243 2.977 ( -1.684 -0.628 -4.454) 4.803 3.223 ( -3.724 -7.155 4.942) 9.460 3.341 ( -3.779 -6.744 -4.827) 9.114 3.511 ( -0.376 -1.233 5.800) 5.942 3.589 ( -4.682 1.806 -0.687) 5.065 3.719 ( -2.919 1.354 0.502) 3.257 3.766 ( -1.721 -1.359 -0.907) 2.373 3.855 ( -6.218 0.569 0.543) 6.267 3.918 ( 0.062 2.905 6.371) 7.003 3.982 ( -0.518 1.381 -5.870) 6.052 4.100 ( 3.390 2.766 -7.743) 8.894 4.339 ( -0.894 2.530 0.763) 2.789 4.374 ( -3.644 3.525 -0.465) 5.091 4.715 ( -3.380 2.034 1.077) 4.089 4.766 ( -4.525 2.236 -3.168) 5.959 4.951 ( 15.395 1.191 8.256) 17.510 5.101 ( 12.226 -0.517 -2.612) 12.512 5.203 ( 3.347 -3.137 4.717) 6.580 5.305 ( 2.814 -4.586 -1.459) 5.575 5.423 ( 2.109 -0.769 2.845) 3.624 5.461 ( 4.436 3.150 -0.138) 5.442 5.621 ( 0.918 6.253 6.232) 8.876 5.766 ( 0.652 2.800 -5.635) 6.326 5.857 ( -3.422 0.661 3.790) 5.149 5.866 ( -3.733 2.767 3.667) 5.919 6.028 ( -0.255 2.658 -2.771) 3.848 6.074 ( -2.508 2.880 -5.314) 6.544 6.274 ( -7.431 -6.355 2.363) 10.059 6.326 ( -6.602 -4.785 -2.049) 8.408 6.391 ( 0.946 -3.782 2.073) 4.415 6.423 ( -0.340 -1.970 -1.051) 2.259 6.775 ( 4.835 1.621 1.315) 5.267 6.874 ( 2.327 -0.224 -7.360) 7.722 7.072 ( -3.931 -2.942 0.593) 4.946 7.093 ( -4.347 -2.578 -1.367) 5.236 7.763 ( 0.786 1.260 2.478) 2.889 7.792 ( -0.353 2.292 -0.165) 2.324 7.978 ( 4.614 -1.401 2.885) 5.619 8.009 ( 5.308 -0.888 0.186) 5.385 8.111 ( -3.206 -1.713 4.153) 5.520 8.168 ( -2.265 -2.195 -0.650) 3.221 8.265 ( -1.236 -2.133 0.166) 2.471 8.302 ( -2.422 -1.126 -1.897) 3.277 8.504 ( -4.999 1.624 2.392) 5.775 8.568 ( -6.579 2.327 -3.446) 7.783 8.932 ( -0.535 -7.086 0.309) 7.113 8.954 ( -1.504 -6.251 -1.647) 6.637 9.532 ( 0.301 5.218 0.963) 5.315 9.555 ( 0.345 4.843 -0.680) 4.903 9.569 ( -0.081 4.598 0.001) 4.599 9.621 ( -1.300 5.423 -3.782) 6.738 10.233 ( 3.031 0.093 1.437) 3.356 10.253 ( 2.221 0.237 -0.276) 2.251 10.436 ( 3.903 -3.185 0.233) 5.043 10.463 ( 2.566 -3.483 -1.953) 4.746 11.163 ( 3.753 4.084 2.625) 6.137 11.190 ( 2.643 3.980 0.155) 4.780 11.573 ( 2.710 -2.090 0.132) 3.425 11.593 ( 1.856 -2.073 -1.842) 3.337 12.432 ( 1.089 0.634 3.672) 3.883 12.461 ( -0.131 0.416 0.484) 0.652 12.591 ( 0.809 -1.665 3.500) 3.960 12.681 ( -1.749 -2.702 -4.512) 5.542 12.925 ( 2.841 6.340 1.137) 7.039 12.958 ( 2.210 6.101 -2.138) 6.832 13.750 ( 2.803 -10.284 3.430) 11.198 13.794 ( 0.287 -11.159 -0.713) 11.186 14.202 ( 2.058 4.470 1.880) 5.268 14.232 ( 2.165 4.697 -0.789) 5.232 14.341 ( -3.260 2.169 3.020) 4.945 14.407 ( -4.422 1.215 -3.123) 5.549 14.913 ( -1.678 1.688 5.479) 5.974 14.966 ( -4.161 1.512 1.085) 4.558 15.112 ( -2.400 -0.548 -1.088) 2.692 15.195 ( -7.052 -1.077 -8.901) 11.407 16.321 ( 4.172 1.183 3.410) 5.516 16.368 ( 2.795 1.204 -0.278) 3.056 16.632 ( 0.023 -1.752 3.745) 4.134 16.740 ( -3.867 -2.333 -5.888) 7.420 17.315 ( 4.358 2.176 -0.689) 4.920 17.341 ( 3.618 0.466 -2.948) 4.690 17.764 ( 3.705 -3.035 3.118) 5.715 17.792 ( 2.334 -4.927 0.569) 5.481 18.014 ( 1.181 3.808 3.729) 5.459 18.079 ( -2.713 1.786 -2.480) 4.087 18.586 ( 3.238 0.269 2.678) 4.211 18.640 ( 2.587 0.323 -1.530) 3.023 18.782 ( 0.804 -2.567 2.438) 3.630 18.818 ( 0.662 -5.667 -0.083) 5.706 18.892 ( -3.887 -1.413 0.657) 4.188 18.967 ( -6.413 -6.343 -5.113) 10.368 19.514 ( 1.546 9.039 1.518) 9.295 19.552 ( -0.364 10.740 -2.176) 10.964 20.243 ( 0.942 -4.910 2.234) 5.476 20.315 ( -1.345 -5.398 -4.537) 7.179 20.678 ( 1.789 2.271 0.754) 2.988 20.690 ( 1.951 1.464 -0.460) 2.482 20.857 ( -0.660 -0.046 1.893) 2.005 20.913 ( -2.763 -1.724 -3.474) 4.762 21.590 ( 0.562 1.647 3.271) 3.705 21.618 ( -0.463 1.474 0.547) 1.640 21.870 ( -1.937 -0.641 1.991) 2.851 21.935 ( -4.762 -1.405 -3.999) 6.375 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -2.106 4.272 3.304) 5.796 2.425 ( 2.106 4.272 3.304) 5.796 2.763 ( -5.640 -1.552 -3.871) 7.014 2.763 ( 5.640 -1.552 -3.871) 7.014 3.072 ( -9.576 -0.960 2.525) 9.950 3.072 ( 9.576 -0.960 2.525) 9.950 3.166 ( -12.286 -2.483 -6.505) 14.122 3.166 ( 12.286 -2.483 -6.505) 14.122 3.564 ( -1.753 -1.572 6.741) 7.140 3.564 ( 1.753 -1.572 6.741) 7.140 3.685 ( -3.123 0.105 -1.199) 3.347 3.685 ( 3.123 0.105 -1.199) 3.347 3.828 ( -3.476 2.320 2.047) 4.654 3.828 ( 3.476 2.320 2.048) 4.654 4.101 ( -5.504 3.757 -5.232) 8.472 4.101 ( 5.504 3.757 -5.232) 8.472 4.331 ( -2.742 3.695 0.324) 4.613 4.331 ( 2.742 3.695 0.324) 4.613 4.678 ( -2.242 0.874 -4.420) 5.033 4.678 ( 2.242 0.874 -4.420) 5.033 5.168 ( -5.342 -3.687 10.379) 12.242 5.168 ( 5.342 -3.687 10.379) 12.242 5.306 ( -5.137 -3.023 -2.381) 6.418 5.306 ( 5.137 -3.023 -2.381) 6.418 5.477 ( -3.545 -0.566 -1.233) 3.796 5.477 ( 3.545 -0.566 -1.233) 3.796 5.699 ( -7.018 3.258 6.836) 10.325 5.699 ( 7.018 3.258 6.836) 10.325 5.824 ( -3.595 3.048 -2.973) 5.573 5.824 ( 3.595 3.048 -2.973) 5.573 6.067 ( -4.157 2.910 2.170) 5.519 6.067 ( 4.157 2.910 2.170) 5.519 6.185 ( -4.913 -2.481 -4.117) 6.873 6.185 ( 4.913 -2.481 -4.117) 6.873 6.417 ( -0.876 -3.589 0.296) 3.706 6.417 ( 0.876 -3.589 0.296) 3.706 6.867 ( -3.710 -0.862 -2.119) 4.358 6.867 ( 3.710 -0.862 -2.119) 4.358 7.040 ( -1.330 -1.795 -1.110) 2.494 7.040 ( 1.330 -1.795 -1.110) 2.494 7.781 ( -0.888 3.456 1.004) 3.707 7.781 ( 0.888 3.456 1.004) 3.707 8.034 ( -2.014 -4.426 1.277) 5.028 8.034 ( 2.014 -4.426 1.277) 5.028 8.121 ( -3.689 -1.347 3.298) 5.128 8.121 ( 3.689 -1.347 3.298) 5.128 8.270 ( -1.545 -2.284 -2.300) 3.591 8.270 ( 1.545 -2.284 -2.300) 3.591 8.469 ( -2.322 4.429 -0.526) 5.029 8.469 ( 2.322 4.429 -0.526) 5.029 8.933 ( -0.646 -6.515 -0.880) 6.605 8.933 ( 0.646 -6.515 -0.880) 6.605 9.542 ( -0.881 5.728 1.377) 5.956 9.542 ( 0.881 5.728 1.377) 5.956 9.593 ( -1.633 4.742 -3.154) 5.924 9.593 ( 1.633 4.742 -3.154) 5.924 10.269 ( -0.582 0.297 0.611) 0.895 10.269 ( 0.582 0.297 0.611) 0.895 10.481 ( -0.729 -3.535 -0.823) 3.702 10.481 ( 0.729 -3.535 -0.823) 3.702 11.206 ( -0.798 3.726 1.583) 4.126 11.206 ( 0.798 3.726 1.583) 4.126 11.604 ( -0.555 -2.163 -0.737) 2.351 11.604 ( 0.555 -2.163 -0.737) 2.351 12.451 ( -0.857 1.265 2.354) 2.807 12.451 ( 0.857 1.265 2.354) 2.807 12.628 ( -2.835 -2.396 -1.392) 3.964 12.628 ( 2.835 -2.396 -1.392) 3.964 12.976 ( -1.176 5.847 -0.323) 5.973 12.976 ( 1.176 5.847 -0.323) 5.973 13.784 ( -1.085 -11.886 1.325) 12.008 13.784 ( 1.085 -11.886 1.325) 12.008 14.252 ( -2.344 5.157 2.514) 6.198 14.252 ( 2.344 5.157 2.514) 6.198 14.324 ( -3.413 2.255 -1.328) 4.301 14.324 ( 3.413 2.255 -1.328) 4.301 14.912 ( -1.489 1.444 3.193) 3.808 14.912 ( 1.489 1.444 3.193) 3.808 15.107 ( -2.087 -0.965 -5.459) 5.923 15.107 ( 2.087 -0.965 -5.459) 5.923 16.379 ( -1.593 1.289 3.090) 3.708 16.379 ( 1.593 1.289 3.090) 3.708 16.667 ( -3.320 -1.643 -2.667) 4.564 16.667 ( 3.320 -1.643 -2.667) 4.564 17.369 ( -0.865 0.741 -1.585) 1.952 17.369 ( 0.865 0.741 -1.585) 1.952 17.807 ( -0.766 -5.735 1.487) 5.973 17.807 ( 0.766 -5.735 1.487) 5.973 18.039 ( -1.563 5.094 0.631) 5.366 18.039 ( 1.563 5.094 0.631) 5.366 18.645 ( -2.282 1.074 1.878) 3.144 18.645 ( 2.282 1.074 1.878) 3.144 18.806 ( -2.292 -4.354 1.677) 5.199 18.806 ( 2.292 -4.354 1.677) 5.199 18.875 ( -2.264 -4.291 -3.840) 6.187 18.875 ( 2.264 -4.291 -3.840) 6.187 19.540 ( -0.997 9.768 0.167) 9.821 19.540 ( 0.997 9.768 0.167) 9.821 20.272 ( -2.283 -5.433 -1.825) 6.169 20.272 ( 2.283 -5.433 -1.825) 6.169 20.709 ( -0.671 1.622 0.645) 1.870 20.709 ( 0.671 1.622 0.645) 1.870 20.864 ( -1.771 -1.181 -0.886) 2.306 20.864 ( 1.771 -1.181 -0.886) 2.306 21.606 ( -0.874 2.433 2.101) 3.332 21.606 ( 0.874 2.433 2.101) 3.332 21.869 ( -1.858 -1.534 -1.299) 2.737 21.869 ( 1.858 -1.534 -1.299) 2.737 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 21.002 18.994) 28.318 1.900 ( 0.000 22.952 22.474) 32.123 2.185 ( 0.000 11.380 -17.541) 20.909 2.359 ( 0.000 17.641 -19.854) 26.559 2.642 ( 0.000 -12.439 12.812) 17.857 2.766 ( 0.000 -15.318 17.171) 23.011 2.838 ( 0.000 -9.503 -5.758) 11.111 3.113 ( 0.000 -17.567 -11.850) 21.191 3.204 ( 0.000 18.452 30.114) 35.317 3.656 ( 0.000 -3.468 -3.888) 5.210 3.762 ( 0.000 1.201 2.399) 2.682 3.840 ( 0.000 3.272 2.089) 3.882 3.953 ( 0.000 0.420 -9.203) 9.212 4.022 ( 0.000 4.052 -6.892) 7.995 4.220 ( 0.000 0.854 -4.988) 5.061 4.259 ( 0.000 -4.312 -9.411) 10.352 4.486 ( 0.000 1.431 3.178) 3.485 4.551 ( 0.000 1.036 -2.489) 2.696 4.685 ( 0.000 -6.819 2.581) 7.291 4.779 ( 0.000 -1.737 -4.929) 5.226 4.876 ( 0.000 3.006 6.486) 7.149 5.047 ( 0.000 -1.283 -7.954) 8.057 5.156 ( 0.000 1.746 9.586) 9.744 5.255 ( 0.000 -0.294 4.701) 4.710 5.430 ( 0.000 3.457 -6.186) 7.087 5.461 ( 0.000 7.623 -6.626) 10.100 5.684 ( 0.000 -4.100 -0.599) 4.144 5.728 ( 0.000 2.093 -0.430) 2.137 5.862 ( 0.000 -5.932 -1.197) 6.052 5.944 ( 0.000 4.083 -2.354) 4.713 5.988 ( 0.000 -6.370 -0.902) 6.433 6.069 ( 0.000 -3.732 -4.153) 5.583 6.344 ( 0.000 4.803 2.355) 5.349 6.399 ( 0.000 2.901 -2.579) 3.881 6.471 ( 0.000 -2.483 2.101) 3.252 6.520 ( 0.000 -2.155 -2.353) 3.190 6.992 ( 0.000 9.211 1.327) 9.306 7.019 ( 0.000 6.623 -0.600) 6.650 7.259 ( 0.000 -3.677 2.340) 4.359 7.300 ( 0.000 -5.109 -1.537) 5.335 7.657 ( 0.000 1.668 5.342) 5.597 7.723 ( 0.000 -0.388 -1.099) 1.166 7.986 ( 0.000 -7.274 3.245) 7.965 8.023 ( 0.000 -8.642 0.540) 8.659 8.064 ( 0.000 0.234 3.375) 3.383 8.122 ( 0.000 -0.637 -2.019) 2.117 8.312 ( 0.000 -0.644 5.755) 5.791 8.419 ( 0.000 -4.709 -4.177) 6.295 8.784 ( 0.000 2.652 7.253) 7.723 8.924 ( 0.000 -2.071 -3.105) 3.733 8.996 ( 0.000 -1.120 -1.334) 1.741 9.068 ( 0.000 -3.183 -5.285) 6.170 9.587 ( 0.000 2.228 2.533) 3.373 9.623 ( 0.000 0.509 0.435) 0.670 9.704 ( 0.000 2.111 2.234) 3.073 9.780 ( 0.000 -0.901 -3.205) 3.329 9.861 ( 0.000 -0.372 1.976) 2.011 9.921 ( 0.000 -2.819 -3.337) 4.369 10.021 ( 0.000 1.563 0.984) 1.847 10.057 ( 0.000 0.039 -2.284) 2.284 10.744 ( 0.000 8.365 0.065) 8.365 10.762 ( 0.000 8.633 -1.432) 8.751 11.059 ( 0.000 -6.220 2.880) 6.855 11.126 ( 0.000 -7.927 -3.477) 8.656 12.341 ( 0.000 -0.196 6.839) 6.842 12.410 ( 0.000 -2.508 0.741) 2.615 12.545 ( 0.000 0.903 -0.157) 0.917 12.547 ( 0.000 0.837 -0.420) 0.936 13.072 ( 0.000 -2.464 8.632) 8.977 13.155 ( 0.000 -4.501 -0.306) 4.512 13.529 ( 0.000 2.377 -2.541) 3.480 13.607 ( 0.000 -1.244 -9.059) 9.144 14.411 ( 0.000 6.465 7.818) 10.145 14.550 ( 0.000 5.441 -4.660) 7.164 14.666 ( 0.000 -3.153 5.593) 6.421 14.759 ( 0.000 -2.666 -2.774) 3.848 14.941 ( 0.000 4.096 2.002) 4.559 15.003 ( 0.000 0.670 -3.512) 3.575 15.678 ( 0.000 -0.637 0.586) 0.866 15.711 ( 0.000 -2.585 -2.657) 3.707 16.161 ( 0.000 3.190 2.770) 4.225 16.236 ( 0.000 2.439 -4.127) 4.794 16.484 ( 0.000 -10.137 3.499) 10.724 16.538 ( 0.000 -9.247 -1.674) 9.397 17.030 ( 0.000 4.414 0.592) 4.454 17.042 ( 0.000 3.313 -0.420) 3.340 17.424 ( 0.000 -4.038 1.187) 4.208 17.451 ( 0.000 -5.404 -1.559) 5.625 18.011 ( 0.000 2.379 6.006) 6.460 18.091 ( 0.000 -1.127 -1.741) 2.074 18.396 ( 0.000 2.856 1.654) 3.301 18.467 ( 0.000 0.272 -5.002) 5.009 18.905 ( 0.000 2.756 2.738) 3.885 18.960 ( 0.000 0.261 -1.961) 1.979 19.017 ( 0.000 1.464 0.327) 1.500 19.029 ( 0.000 1.018 -0.577) 1.170 19.580 ( 0.000 11.136 4.724) 12.097 19.712 ( 0.000 13.608 -8.301) 15.940 19.980 ( 0.000 -6.643 5.256) 8.471 20.093 ( 0.000 -4.888 -5.047) 7.026 20.718 ( 0.000 6.191 6.646) 9.083 20.861 ( 0.000 2.039 -2.772) 3.441 20.902 ( 0.000 -1.417 -2.443) 2.824 20.972 ( 0.000 -1.183 -5.998) 6.113 21.613 ( 0.000 -0.615 1.971) 2.065 21.635 ( 0.000 -1.710 -0.023) 1.711 22.194 ( 0.000 -3.094 1.903) 3.632 22.221 ( 0.000 -3.787 -0.699) 3.851 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.677 21.273 18.389) 28.901 1.990 ( 8.624 18.976 19.702) 28.682 2.262 ( 6.981 12.540 -15.996) 21.491 2.435 ( 7.102 13.434 -17.710) 23.335 2.672 ( 3.469 -13.300 12.111) 18.320 2.796 ( 2.708 -17.105 15.498) 23.241 2.869 ( 3.851 -9.908 -6.468) 12.443 3.138 ( 2.115 -18.049 -13.351) 22.550 3.310 ( 10.117 16.885 26.695) 33.168 3.641 ( -1.769 -2.345 -0.630) 3.004 3.758 ( -0.566 0.499 1.049) 1.292 3.826 ( -1.238 4.073 1.280) 4.445 3.919 ( -2.074 -0.678 -6.190) 6.564 4.014 ( -0.720 3.901 -8.922) 9.764 4.231 ( 0.860 0.697 -1.811) 2.123 4.310 ( 2.379 -2.341 -8.290) 8.936 4.455 ( -2.593 1.653 3.753) 4.852 4.545 ( -0.055 4.351 -4.585) 6.321 4.687 ( 0.484 -7.698 3.188) 8.346 4.769 ( -1.440 1.118 -2.766) 3.313 4.856 ( -2.149 2.608 2.934) 4.476 4.940 ( -7.089 0.074 -2.583) 7.546 5.155 ( -1.522 1.056 2.356) 2.997 5.239 ( -1.423 -0.050 0.143) 1.431 5.414 ( 0.214 5.620 -0.977) 5.708 5.520 ( 2.532 5.196 -5.178) 7.760 5.676 ( -1.569 3.555 2.566) 4.656 5.718 ( 1.539 -2.858 -1.790) 3.707 5.874 ( 0.994 -6.706 -0.070) 6.780 5.914 ( -2.439 -4.226 -3.287) 5.883 6.021 ( 3.917 -0.065 -0.652) 3.972 6.066 ( 0.534 -2.508 -3.176) 4.082 6.343 ( -1.102 2.544 1.653) 3.228 6.371 ( -2.959 0.961 -0.522) 3.154 6.501 ( 1.499 -2.233 1.286) 2.981 6.537 ( 1.469 -2.221 -1.612) 3.113 6.976 ( -2.502 9.046 0.005) 9.385 6.996 ( -2.611 8.755 -1.527) 9.263 7.212 ( -4.271 -4.780 2.451) 6.863 7.268 ( -3.013 -6.624 -2.889) 7.830 7.683 ( 2.292 0.934 5.323) 5.870 7.740 ( 1.802 -0.004 -0.109) 1.806 7.917 ( -5.338 -6.493 1.813) 8.599 7.936 ( -4.859 -6.198 0.514) 7.892 8.118 ( 2.457 1.217 3.486) 4.435 8.161 ( 2.023 1.125 -0.437) 2.356 8.338 ( 2.276 -3.146 4.200) 5.720 8.423 ( 0.432 -5.430 -3.364) 6.402 8.737 ( -3.444 3.523 5.125) 7.109 8.850 ( -6.435 1.783 -5.078) 8.389 8.985 ( -1.727 -5.144 2.139) 5.832 9.047 ( -3.332 -5.361 -3.342) 7.142 9.576 ( -0.820 2.895 4.325) 5.269 9.631 ( 0.302 0.986 1.620) 1.920 9.692 ( -2.490 2.031 -2.656) 4.169 9.731 ( -1.084 0.207 -3.468) 3.640 9.914 ( 5.011 -0.909 0.980) 5.186 9.950 ( 3.854 -1.817 -2.271) 4.828 10.080 ( 4.883 0.795 1.062) 5.060 10.117 ( 4.982 -0.760 -2.149) 5.479 10.838 ( 8.590 7.981 0.076) 11.725 10.847 ( 8.450 8.250 -0.607) 11.825 11.143 ( 7.777 -5.530 1.398) 9.645 11.191 ( 6.342 -7.041 -3.096) 9.969 12.346 ( 0.539 -0.318 6.598) 6.628 12.407 ( -0.157 -2.323 1.418) 2.726 12.549 ( 0.671 0.745 0.172) 1.017 12.565 ( 1.394 -0.056 -1.015) 1.725 13.088 ( 1.198 1.354 8.807) 8.991 13.185 ( 2.602 -3.020 -0.561) 4.025 13.486 ( -3.792 0.496 -2.316) 4.471 13.563 ( -3.742 -3.026 -8.853) 10.077 14.373 ( -3.704 5.620 6.625) 9.445 14.488 ( -8.246 6.225 -3.318) 10.851 14.558 ( -4.180 -2.385 5.083) 7.000 14.669 ( -6.637 -2.410 -4.520) 8.384 15.025 ( 4.445 2.122 2.041) 5.332 15.051 ( 2.862 1.256 -0.585) 3.180 15.613 ( -6.878 0.062 1.727) 7.092 15.679 ( -4.270 -3.521 -4.810) 7.333 16.151 ( -0.003 3.841 2.050) 4.354 16.203 ( -1.769 2.862 -2.715) 4.323 16.530 ( 3.569 -8.594 2.958) 9.764 16.577 ( 3.808 -9.235 -1.568) 10.111 17.077 ( 3.969 4.005 0.969) 5.721 17.102 ( 5.912 3.687 -1.160) 7.063 17.454 ( 2.776 -4.445 1.583) 5.475 17.494 ( 4.172 -5.560 -2.426) 7.363 18.008 ( 0.019 3.982 5.484) 6.778 18.096 ( 0.792 -0.240 -2.955) 3.069 18.413 ( 1.414 1.406 2.388) 3.111 18.483 ( 1.301 -0.813 -4.231) 4.501 18.854 ( -3.863 2.897 2.064) 5.251 18.892 ( -4.470 3.002 -1.515) 5.594 19.007 ( -1.103 -1.982 1.992) 3.019 19.046 ( -0.389 -2.646 -1.816) 3.233 19.623 ( 3.572 10.768 4.633) 12.254 19.743 ( 2.301 11.273 -6.723) 13.326 20.002 ( 2.426 -5.040 3.690) 6.701 20.097 ( 0.874 -4.234 -4.800) 6.460 20.718 ( -0.140 5.734 6.282) 8.506 20.863 ( -0.252 2.615 -4.546) 5.250 20.881 ( -1.787 -1.642 0.008) 2.427 20.967 ( -0.550 -1.532 -5.912) 6.132 21.605 ( -0.623 -0.813 2.016) 2.261 21.625 ( -0.930 -1.821 0.341) 2.073 22.146 ( -4.231 -1.297 2.882) 5.281 22.199 ( -2.760 -3.689 -2.309) 5.154 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 12.170 15.723 15.605) 25.275 2.192 ( 11.801 14.243 13.176) 22.710 2.405 ( 7.320 8.473 -9.536) 14.707 2.579 ( 6.820 7.650 -13.610) 17.038 2.767 ( 5.388 -12.011 10.356) 16.749 2.853 ( 4.120 -15.216 7.336) 17.387 3.004 ( 9.398 -11.066 -5.222) 15.429 3.171 ( 0.482 -14.173 -11.648) 18.351 3.505 ( 7.236 5.965 12.271) 15.444 3.588 ( -3.358 -0.269 1.626) 3.740 3.743 ( -0.367 0.763 4.157) 4.242 3.809 ( 0.321 3.299 -0.537) 3.358 3.893 ( -1.035 -0.419 -2.554) 2.787 4.011 ( 0.407 2.564 -9.403) 9.755 4.199 ( -5.240 2.431 2.504) 6.296 4.290 ( -4.165 -1.531 -6.459) 7.836 4.411 ( -1.998 3.309 6.292) 7.384 4.556 ( -0.377 3.973 -3.933) 5.603 4.687 ( -1.189 1.031 1.874) 2.447 4.746 ( 1.495 5.391 -0.586) 5.625 4.827 ( 2.034 1.333 -0.175) 2.438 4.875 ( -0.333 -0.981 -3.311) 3.469 5.132 ( -0.414 0.836 1.561) 1.819 5.206 ( -1.206 0.923 -3.210) 3.551 5.426 ( 0.872 5.558 3.440) 6.594 5.527 ( -0.591 7.320 -2.788) 7.855 5.686 ( 1.511 -1.062 3.274) 3.760 5.754 ( 2.085 1.320 -1.757) 3.029 5.881 ( 0.166 -5.455 0.243) 5.463 5.922 ( 2.614 -6.149 -2.049) 6.988 6.080 ( 1.383 1.699 0.726) 2.308 6.115 ( 3.503 0.061 -2.624) 4.377 6.277 ( -4.318 -1.917 3.433) 5.840 6.318 ( -2.515 -2.837 -0.560) 3.832 6.488 ( -3.263 -1.266 0.892) 3.612 6.522 ( -4.362 -2.127 -2.221) 5.337 6.879 ( -6.361 8.196 0.306) 10.379 6.930 ( -3.647 5.939 -4.301) 8.189 7.123 ( -4.507 -5.426 2.759) 7.574 7.201 ( -3.924 -7.240 -4.851) 9.557 7.734 ( 2.791 0.291 5.311) 6.007 7.780 ( 1.799 -0.134 2.170) 2.822 7.847 ( -1.205 -3.042 -0.207) 3.279 7.861 ( -2.395 -3.627 -0.756) 4.412 8.148 ( 0.696 1.847 3.577) 4.085 8.185 ( 1.003 1.830 0.290) 2.107 8.366 ( -0.356 -3.489 2.446) 4.275 8.422 ( -1.286 -5.061 -2.179) 5.658 8.677 ( -3.317 2.967 2.207) 4.968 8.739 ( -4.228 3.056 -3.155) 6.097 8.902 ( -5.986 -6.648 2.773) 9.366 8.958 ( -5.033 -7.369 -2.445) 9.253 9.580 ( 1.063 3.464 2.704) 4.521 9.619 ( -0.606 2.723 1.086) 2.993 9.665 ( -0.178 2.652 -1.220) 2.925 9.728 ( -0.001 0.994 -4.766) 4.869 10.033 ( 6.695 -0.575 0.961) 6.787 10.058 ( 6.615 -1.440 -0.970) 6.839 10.181 ( 5.576 -0.518 0.737) 5.648 10.220 ( 5.600 -2.228 -2.444) 6.503 11.018 ( 9.553 7.605 1.596) 12.314 11.043 ( 10.561 7.535 -0.882) 13.004 11.305 ( 8.240 -4.574 0.157) 9.426 11.337 ( 8.087 -5.245 -2.973) 10.087 12.365 ( 1.577 -0.245 5.793) 6.009 12.411 ( 0.765 -1.713 2.261) 2.938 12.566 ( 0.853 -0.353 0.590) 1.095 12.595 ( 1.777 -1.004 -1.514) 2.541 13.087 ( -1.667 8.816 6.745) 11.225 13.197 ( -3.084 4.671 -3.143) 6.420 13.442 ( 0.923 -6.820 0.783) 6.926 13.522 ( 0.547 -8.868 -6.222) 10.847 14.293 ( -3.831 4.159 4.108) 6.989 14.347 ( -5.145 2.994 -0.454) 5.970 14.493 ( -3.497 0.785 1.543) 3.902 14.559 ( -4.814 -1.423 -4.048) 6.449 15.052 ( -1.050 2.126 4.043) 4.687 15.085 ( 0.290 0.673 1.249) 1.448 15.432 ( -11.091 1.635 1.729) 11.343 15.536 ( -10.166 -3.520 -7.893) 13.343 16.180 ( 3.064 3.023 2.027) 4.757 16.220 ( 3.388 1.864 -1.650) 4.204 16.586 ( 2.069 -4.839 4.316) 6.806 16.659 ( 3.963 -7.612 -2.720) 9.002 17.171 ( 5.617 4.510 1.609) 7.380 17.223 ( 6.119 4.279 -3.129) 8.095 17.517 ( 3.601 -5.528 2.693) 7.126 17.581 ( 4.306 -5.616 -3.213) 7.772 18.026 ( 1.982 6.022 4.873) 7.996 18.123 ( 1.750 1.422 -4.376) 4.923 18.435 ( 0.756 -2.636 2.950) 4.028 18.495 ( -0.260 -3.836 -2.897) 4.815 18.798 ( -1.684 3.012 2.104) 4.042 18.833 ( -1.635 3.219 -1.343) 3.852 18.975 ( -1.930 -4.206 1.804) 4.967 19.013 ( -2.664 -5.038 -1.835) 5.987 19.670 ( 0.936 10.106 4.214) 10.989 19.769 ( 0.219 8.793 -5.152) 10.193 20.065 ( 3.637 -4.169 2.919) 6.255 20.140 ( 3.422 -4.171 -4.372) 6.944 20.708 ( -0.862 4.678 4.796) 6.755 20.811 ( -3.853 1.655 -3.590) 5.521 20.876 ( 0.206 -0.009 0.611) 0.645 20.949 ( -1.307 -2.210 -5.416) 5.994 21.594 ( -0.415 -0.678 2.279) 2.414 21.611 ( -0.227 -1.487 0.944) 1.776 22.052 ( -5.367 0.682 2.815) 6.099 22.119 ( -5.270 -2.652 -3.661) 6.944 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 13.370 7.680 10.583) 18.701 2.416 ( 11.028 9.046 7.088) 15.927 2.531 ( 5.641 0.610 -3.296) 6.562 2.668 ( 2.676 2.239 -8.085) 8.806 2.860 ( 4.757 -3.392 6.529) 8.761 2.957 ( 5.511 -6.508 0.118) 8.529 3.122 ( -4.823 -6.949 -3.467) 9.142 3.164 ( 5.447 -10.155 -7.669) 13.842 3.508 ( -2.646 -0.410 3.904) 4.734 3.587 ( 1.873 -3.878 -1.404) 4.529 3.754 ( 1.225 0.942 5.097) 5.326 3.831 ( 0.065 3.084 -0.034) 3.085 3.887 ( 0.430 -0.192 0.403) 0.620 3.985 ( -5.946 1.871 -4.306) 7.576 4.071 ( -4.235 0.554 -3.244) 5.363 4.158 ( -7.473 -3.057 -9.203) 12.243 4.395 ( -0.082 6.027 7.997) 10.014 4.518 ( -2.890 3.618 -1.400) 4.838 4.713 ( 4.210 4.608 6.497) 9.009 4.811 ( 2.425 2.148 2.004) 3.810 4.895 ( 2.997 1.399 -0.493) 3.344 4.932 ( 7.189 0.424 -3.450) 7.986 5.140 ( 0.799 2.295 2.146) 3.242 5.212 ( 2.017 1.586 -4.231) 4.948 5.447 ( 1.306 5.211 4.534) 7.029 5.525 ( 0.543 8.550 -0.952) 8.620 5.704 ( 0.049 -1.946 3.115) 3.673 5.786 ( 1.336 1.938 -0.837) 2.499 5.896 ( 0.875 -0.694 0.352) 1.171 5.956 ( 0.225 -1.329 -2.773) 3.083 6.058 ( -2.896 -0.747 2.796) 4.094 6.140 ( -1.078 0.529 -4.059) 4.233 6.232 ( -0.421 -3.807 4.234) 5.709 6.286 ( -2.130 -4.584 -0.209) 5.059 6.370 ( -8.131 -3.473 0.379) 8.850 6.408 ( -4.391 -3.370 -2.737) 6.175 6.802 ( -1.202 4.922 0.967) 5.158 6.881 ( -1.140 2.273 -5.960) 6.480 7.052 ( -3.017 -4.087 2.151) 5.516 7.118 ( -4.640 -5.077 -4.138) 8.027 7.761 ( 0.521 0.460 4.091) 4.150 7.813 ( 0.564 0.969 -0.562) 1.254 7.847 ( 3.640 -3.258 2.992) 5.729 7.900 ( 4.467 -1.980 -1.475) 5.104 8.145 ( -1.147 1.379 4.370) 4.724 8.203 ( 0.240 1.696 -1.121) 2.047 8.298 ( -6.269 -2.407 1.601) 6.903 8.351 ( -5.388 -3.252 -2.638) 6.824 8.609 ( -3.266 2.306 3.566) 5.357 8.686 ( -2.641 1.927 -2.957) 4.408 8.816 ( -2.384 -6.943 2.015) 7.612 8.877 ( -3.151 -6.481 -3.238) 7.901 9.603 ( 1.221 4.329 1.109) 4.633 9.626 ( 1.195 3.694 -0.072) 3.883 9.666 ( 0.026 4.060 0.621) 4.107 9.726 ( -0.217 2.451 -4.044) 4.734 10.149 ( 5.225 -0.355 1.801) 5.538 10.175 ( 5.315 -1.013 -0.255) 5.416 10.286 ( 5.087 -2.345 -0.118) 5.602 10.320 ( 4.614 -3.493 -2.644) 6.362 11.176 ( 6.627 7.257 2.465) 10.132 11.211 ( 6.579 6.997 -0.795) 9.637 11.437 ( 5.477 -4.306 0.290) 6.973 11.468 ( 5.217 -4.377 -2.744) 7.342 12.405 ( 2.460 0.412 4.495) 5.141 12.437 ( 1.888 -0.637 1.973) 2.804 12.572 ( -0.262 -0.697 1.857) 2.001 12.629 ( 1.331 -2.485 -2.634) 3.858 13.055 ( -0.693 9.914 2.223) 10.184 13.110 ( -3.562 8.623 -3.094) 9.829 13.500 ( 3.384 -9.913 3.163) 10.941 13.560 ( 1.969 -11.466 -2.543) 11.908 14.252 ( -0.321 3.477 2.375) 4.223 14.290 ( -1.107 2.402 -0.950) 2.810 14.430 ( -2.854 1.482 1.444) 3.526 14.482 ( -3.360 -0.666 -3.295) 4.753 15.007 ( -3.157 2.438 6.072) 7.265 15.060 ( -2.675 0.116 2.408) 3.601 15.231 ( -9.160 2.006 -0.686) 9.402 15.332 ( -10.311 -2.633 -8.981) 13.925 16.259 ( 4.884 2.013 2.981) 6.066 16.305 ( 5.049 0.612 -0.939) 5.172 16.605 ( -0.006 -1.638 4.633) 4.914 16.703 ( 0.352 -5.511 -4.390) 7.055 17.282 ( 5.732 4.162 0.556) 7.105 17.323 ( 4.415 5.707 -3.419) 7.984 17.586 ( 3.436 -7.423 3.377) 8.850 17.650 ( 2.950 -5.661 -2.526) 6.865 18.077 ( 3.021 7.227 3.553) 8.601 18.148 ( 0.720 4.105 -3.248) 5.284 18.454 ( 1.495 -7.458 2.434) 7.986 18.494 ( 1.047 -7.619 -1.706) 7.877 18.780 ( -0.626 3.113 2.361) 3.957 18.815 ( -0.756 2.942 -0.976) 3.191 18.937 ( -2.304 -2.964 0.153) 3.758 18.955 ( -3.255 -4.756 -1.482) 5.951 19.677 ( 0.440 10.107 3.571) 10.728 19.762 ( -0.559 9.188 -4.658) 10.317 20.117 ( 1.303 -5.677 3.740) 6.922 20.195 ( 1.520 -6.340 -4.005) 7.652 20.695 ( -0.055 3.272 2.392) 4.054 20.746 ( -2.389 2.218 -2.249) 3.961 20.873 ( -0.643 -0.152 0.412) 0.779 20.917 ( -2.049 -2.511 -3.774) 4.975 21.597 ( 0.905 0.585 3.026) 3.212 21.620 ( 1.130 -0.427 0.906) 1.510 21.949 ( -5.330 1.009 1.816) 5.720 22.009 ( -5.991 -1.969 -3.872) 7.400 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 4.697 4.858 5.263) 8.565 2.565 ( 1.018 4.764 -0.003) 4.871 2.605 ( 5.630 -0.403 4.512) 7.226 2.738 ( 4.413 -2.356 -6.179) 7.950 2.952 ( 6.241 1.417 -1.433) 6.558 2.992 ( -0.660 1.894 -4.032) 4.504 3.096 ( 2.045 -5.392 3.062) 6.529 3.202 ( -1.138 -7.329 -6.089) 9.596 3.496 ( 1.024 -0.090 5.684) 5.777 3.584 ( -1.872 -2.639 -1.278) 3.479 3.742 ( -6.880 -0.375 1.746) 7.108 3.756 ( -6.773 1.592 -1.219) 7.064 3.850 ( -1.872 0.480 3.723) 4.194 3.943 ( 6.588 -0.892 5.616) 8.703 4.042 ( 0.119 4.101 -8.012) 9.001 4.145 ( 4.562 0.941 -7.958) 9.221 4.386 ( -1.171 3.455 3.676) 5.179 4.460 ( -2.166 4.501 -0.978) 5.090 4.717 ( -5.976 -1.142 1.154) 6.193 4.778 ( -5.567 -0.801 -2.930) 6.341 4.993 ( 6.847 1.325 6.857) 9.780 5.076 ( 7.202 -3.667 1.181) 8.168 5.171 ( 2.650 1.662 2.881) 4.253 5.258 ( 1.497 -0.336 -3.161) 3.513 5.477 ( 2.259 6.690 2.996) 7.670 5.550 ( 1.231 6.578 -2.986) 7.328 5.714 ( 1.992 2.600 5.302) 6.232 5.798 ( -0.462 1.578 0.296) 1.671 5.881 ( -3.261 1.083 2.122) 4.038 5.925 ( -1.550 2.126 -2.091) 3.360 6.038 ( 0.285 -1.609 0.353) 1.671 6.105 ( -2.347 -3.778 -4.793) 6.539 6.178 ( -3.483 0.024 3.087) 4.654 6.225 ( -2.607 -4.816 -1.404) 5.653 6.302 ( 0.216 -4.434 2.913) 5.310 6.365 ( -1.626 -4.024 -2.630) 5.075 6.818 ( 2.226 2.961 0.412) 3.727 6.879 ( 0.228 0.806 -4.933) 5.003 7.004 ( -1.966 -3.757 0.675) 4.294 7.036 ( -3.598 -3.636 -2.314) 5.614 7.788 ( 2.579 1.438 2.530) 3.888 7.832 ( 1.938 1.403 -1.728) 2.952 7.935 ( 3.266 -2.784 3.727) 5.684 7.980 ( 2.805 -2.376 0.039) 3.676 8.099 ( -2.702 0.730 3.244) 4.284 8.124 ( -5.693 -0.997 -0.561) 5.807 8.235 ( -0.830 -1.380 0.717) 1.763 8.271 ( -2.924 -2.327 -1.838) 4.164 8.558 ( -1.674 4.206 2.742) 5.293 8.621 ( -3.709 3.519 -2.861) 5.859 8.797 ( -0.176 -6.889 0.288) 6.898 8.833 ( -1.763 -6.284 -2.798) 7.101 9.630 ( 1.524 5.032 0.718) 5.306 9.652 ( 1.370 4.520 -1.435) 4.937 9.665 ( -0.072 5.099 1.569) 5.335 9.715 ( -1.088 3.739 -3.044) 4.943 10.230 ( 3.238 -0.283 2.181) 3.914 10.251 ( 2.505 -0.442 0.625) 2.620 10.365 ( 3.058 -3.910 -1.222) 5.112 10.386 ( 2.147 -4.293 -2.631) 5.474 11.268 ( 3.175 6.804 2.240) 7.836 11.292 ( 2.145 6.583 0.059) 6.924 11.513 ( 2.568 -4.457 0.221) 5.149 11.533 ( 1.697 -4.445 -1.695) 5.051 12.451 ( 2.169 1.376 3.397) 4.259 12.476 ( 1.728 0.910 0.965) 2.178 12.563 ( -0.255 -0.994 2.031) 2.276 12.625 ( -1.725 -3.182 -3.250) 4.864 13.072 ( 2.438 9.266 0.980) 9.632 13.101 ( 1.604 8.871 -1.792) 9.191 13.538 ( 0.602 -11.832 2.315) 12.071 13.568 ( -0.996 -12.490 -0.602) 12.544 14.274 ( 2.308 3.183 2.042) 4.431 14.299 ( 1.853 2.347 0.072) 2.991 14.387 ( -1.934 2.369 1.003) 3.219 14.426 ( -2.790 0.529 -2.391) 3.712 14.952 ( -2.007 2.345 5.722) 6.501 14.995 ( -3.627 1.030 2.935) 4.778 15.105 ( -3.845 0.168 -3.105) 4.945 15.166 ( -6.738 -1.975 -7.888) 10.560 16.351 ( 4.411 1.998 3.971) 6.262 16.393 ( 3.547 1.021 1.184) 3.876 16.596 ( -0.367 -1.462 1.605) 2.202 16.676 ( -2.772 -4.185 -4.888) 7.006 17.374 ( 3.603 3.661 -0.597) 5.171 17.392 ( 2.682 5.872 -2.404) 6.888 17.640 ( 2.239 -8.455 2.645) 9.138 17.687 ( 0.627 -6.970 -1.777) 7.220 18.131 ( 2.490 8.033 1.749) 8.590 18.160 ( 0.702 7.127 -1.001) 7.231 18.495 ( 2.873 -9.503 2.813) 10.318 18.536 ( 2.328 -10.442 -0.764) 10.726 18.769 ( -0.324 2.353 1.758) 2.955 18.798 ( -0.910 2.219 -0.977) 2.590 18.874 ( -3.702 -1.084 -0.235) 3.864 18.898 ( -2.953 -1.955 -2.034) 4.084 19.700 ( 1.932 10.429 2.446) 10.885 19.755 ( -0.280 10.630 -2.885) 11.019 20.120 ( -0.256 -7.839 2.684) 8.290 20.185 ( -2.352 -8.394 -3.494) 9.391 20.715 ( 1.895 2.037 0.932) 2.934 20.732 ( 0.659 2.166 -0.837) 2.414 20.852 ( -1.411 -0.585 -0.174) 1.537 20.873 ( -2.489 -2.250 -2.237) 4.032 21.628 ( 2.111 2.190 3.253) 4.453 21.649 ( 1.648 1.462 1.463) 2.644 21.858 ( -3.767 -0.373 0.272) 3.795 21.900 ( -5.169 -2.115 -3.426) 6.552 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -2.226 5.830 3.390) 7.102 2.525 ( 2.227 5.830 3.390) 7.102 2.727 ( -4.904 -2.147 -3.731) 6.525 2.727 ( 4.904 -2.147 -3.731) 6.525 3.055 ( -5.551 -0.605 0.787) 5.639 3.055 ( 5.551 -0.605 0.787) 5.639 3.115 ( -8.297 -2.874 -4.821) 10.017 3.115 ( 8.297 -2.874 -4.821) 10.017 3.541 ( -3.251 -0.426 4.653) 5.692 3.541 ( 3.251 -0.426 4.653) 5.692 3.651 ( -1.541 -2.867 -3.488) 4.771 3.651 ( 1.541 -2.867 -3.488) 4.771 3.920 ( -5.903 6.000 8.062) 11.655 3.920 ( 5.903 6.000 8.062) 11.655 4.157 ( -6.021 1.763 -4.710) 7.845 4.157 ( 6.021 1.763 -4.710) 7.845 4.409 ( -5.054 4.409 0.589) 6.732 4.409 ( 5.054 4.409 0.589) 6.732 4.654 ( -3.929 -3.453 -5.984) 7.948 4.654 ( 3.929 -3.453 -5.984) 7.948 5.111 ( -4.108 -2.090 9.145) 10.241 5.111 ( 4.108 -2.090 9.145) 10.241 5.239 ( -3.807 -3.587 -3.290) 6.179 5.239 ( 3.807 -3.587 -3.290) 6.179 5.535 ( -2.958 7.523 -0.040) 8.084 5.535 ( 2.958 7.523 -0.040) 8.084 5.760 ( -2.855 1.491 5.909) 6.729 5.760 ( 2.855 1.491 5.909) 6.729 5.876 ( -3.141 2.872 -4.080) 5.896 5.876 ( 3.141 2.872 -4.080) 5.896 6.057 ( -2.106 -4.024 1.494) 4.781 6.057 ( 2.106 -4.024 1.494) 4.781 6.181 ( -2.107 1.715 -1.050) 2.913 6.181 ( 2.107 1.715 -1.050) 2.913 6.327 ( -2.028 -5.429 -0.325) 5.805 6.327 ( 2.028 -5.429 -0.325) 5.805 6.864 ( -2.034 1.047 -1.841) 2.937 6.864 ( 2.034 1.047 -1.841) 2.937 6.991 ( -0.917 -3.534 -0.962) 3.776 6.991 ( 0.917 -3.534 -0.962) 3.776 7.848 ( -2.456 2.899 1.099) 3.955 7.848 ( 2.456 2.899 1.099) 3.955 7.951 ( -3.296 -3.518 -0.643) 4.864 7.951 ( 3.296 -3.518 -0.643) 4.864 8.103 ( -2.552 -0.150 4.350) 5.045 8.103 ( 2.552 -0.150 4.350) 5.045 8.224 ( -1.476 -2.838 -1.475) 3.522 8.224 ( 1.476 -2.838 -1.475) 3.522 8.563 ( -2.053 5.613 -0.687) 6.016 8.563 ( 2.053 5.613 -0.687) 6.016 8.805 ( -1.070 -6.878 -1.514) 7.123 8.805 ( 1.070 -6.878 -1.514) 7.123 9.654 ( -0.867 5.588 0.958) 5.736 9.654 ( 0.867 5.588 0.958) 5.736 9.686 ( -1.778 4.349 -1.994) 5.104 9.686 ( 1.778 4.349 -1.994) 5.104 10.268 ( -0.675 -0.236 1.715) 1.858 10.268 ( 0.675 -0.236 1.715) 1.858 10.400 ( -0.628 -4.560 -2.229) 5.115 10.400 ( 0.628 -4.560 -2.229) 5.115 11.304 ( -0.698 6.486 1.264) 6.645 11.304 ( 0.698 6.486 1.264) 6.645 11.542 ( -0.567 -4.569 -0.517) 4.633 11.542 ( 0.567 -4.569 -0.517) 4.633 12.483 ( -0.998 2.050 2.244) 3.200 12.483 ( 0.998 2.050 2.244) 3.200 12.582 ( -2.184 -2.390 -1.130) 3.429 12.582 ( 2.184 -2.390 -1.130) 3.429 13.116 ( -0.955 9.123 -0.180) 9.174 13.116 ( 0.955 9.123 -0.180) 9.174 13.544 ( -0.800 -13.335 0.585) 13.372 13.544 ( 0.800 -13.335 0.585) 13.372 14.322 ( -1.638 2.519 2.910) 4.183 14.322 ( 1.638 2.519 2.910) 4.183 14.372 ( -2.137 2.342 -1.828) 3.660 14.372 ( 2.137 2.342 -1.828) 3.660 14.945 ( -1.268 1.865 3.591) 4.241 14.945 ( 1.268 1.865 3.591) 4.241 15.084 ( -1.671 -1.374 -5.220) 5.650 15.084 ( 1.671 -1.374 -5.220) 5.650 16.413 ( -1.612 2.364 4.285) 5.153 16.413 ( 1.612 2.364 4.285) 5.153 16.617 ( -2.711 -3.410 -3.472) 5.571 16.617 ( 2.711 -3.410 -3.472) 5.571 17.414 ( -0.526 4.455 -1.234) 4.653 17.414 ( 0.526 4.455 -1.234) 4.653 17.676 ( -1.483 -8.000 0.042) 8.137 17.676 ( 1.483 -8.000 0.042) 8.137 18.164 ( -0.726 8.255 0.608) 8.310 18.164 ( 0.726 8.255 0.608) 8.310 18.546 ( -1.600 -10.784 1.676) 11.030 18.546 ( 1.600 -10.784 1.676) 11.030 18.778 ( -1.285 2.421 0.001) 2.741 18.778 ( 1.285 2.421 0.001) 2.741 18.847 ( -1.610 -0.765 -1.485) 2.320 18.847 ( 1.610 -0.765 -1.485) 2.320 19.738 ( -1.675 11.187 0.210) 11.314 19.738 ( 1.675 11.187 0.210) 11.314 20.135 ( -2.091 -9.120 -0.923) 9.402 20.135 ( 2.091 -9.120 -0.923) 9.402 20.744 ( -0.362 1.959 0.530) 2.062 20.744 ( 0.362 1.959 0.530) 2.062 20.837 ( -0.619 -1.649 -1.418) 2.261 20.837 ( 0.619 -1.649 -1.418) 2.261 21.662 ( -0.825 3.311 2.985) 4.534 21.662 ( 0.825 3.311 2.985) 4.534 21.831 ( -1.436 -2.442 -2.264) 3.626 21.831 ( 1.436 -2.442 -2.264) 3.626 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 -14.646 10.661) 18.116 2.151 ( 0.000 14.646 10.661) 18.116 2.337 ( 0.000 -20.903 17.538) 27.286 2.337 ( 0.000 20.903 17.538) 27.286 2.627 ( 0.000 -1.391 -10.325) 10.418 2.627 ( 0.000 1.391 -10.325) 10.418 2.762 ( 0.000 -14.497 -12.130) 18.902 2.762 ( 0.000 14.497 -12.130) 18.902 3.531 ( 0.000 -12.222 10.856) 16.347 3.531 ( 0.000 12.222 10.856) 16.347 3.806 ( 0.000 -4.612 6.839) 8.249 3.806 ( 0.000 4.612 6.839) 8.249 4.019 ( 0.000 -7.330 -6.007) 9.478 4.019 ( 0.000 7.330 -6.007) 9.478 4.207 ( 0.000 -5.327 -4.900) 7.238 4.207 ( 0.000 5.327 -4.900) 7.238 4.533 ( 0.000 -3.804 4.635) 5.996 4.533 ( 0.000 3.804 4.635) 5.996 4.704 ( 0.000 -6.467 -8.731) 10.865 4.704 ( 0.000 6.467 -8.731) 10.865 4.974 ( 0.000 -6.272 -3.681) 7.273 4.974 ( 0.000 6.272 -3.681) 7.273 5.205 ( 0.000 -3.768 5.137) 6.371 5.205 ( 0.000 3.768 5.137) 6.371 5.530 ( 0.000 -6.794 -0.259) 6.798 5.530 ( 0.000 6.794 -0.259) 6.798 5.636 ( 0.000 -7.722 -5.847) 9.686 5.636 ( 0.000 7.722 -5.847) 9.686 5.873 ( 0.000 -4.594 -1.250) 4.761 5.873 ( 0.000 4.594 -1.250) 4.761 6.020 ( 0.000 -2.800 -0.792) 2.910 6.020 ( 0.000 2.800 -0.792) 2.910 6.423 ( 0.000 -2.823 1.338) 3.124 6.423 ( 0.000 2.823 1.338) 3.124 6.462 ( 0.000 -3.666 -1.679) 4.033 6.462 ( 0.000 3.666 -1.679) 4.033 7.102 ( 0.000 -0.366 0.563) 0.672 7.102 ( 0.000 0.366 0.563) 0.672 7.223 ( 0.000 -1.532 0.632) 1.657 7.223 ( 0.000 1.532 0.632) 1.657 7.701 ( 0.000 -2.510 2.263) 3.380 7.701 ( 0.000 2.510 2.263) 3.380 7.908 ( 0.000 -1.443 0.727) 1.616 7.908 ( 0.000 1.443 0.727) 1.616 8.100 ( 0.000 -2.142 1.946) 2.894 8.100 ( 0.000 2.142 1.946) 2.894 8.339 ( 0.000 -3.490 -0.210) 3.496 8.339 ( 0.000 3.490 -0.210) 3.496 8.848 ( 0.000 -4.262 5.275) 6.782 8.848 ( 0.000 4.262 5.275) 6.782 9.019 ( 0.000 -2.176 -6.698) 7.042 9.019 ( 0.000 2.176 -6.698) 7.042 9.620 ( 0.000 -1.050 2.195) 2.434 9.620 ( 0.000 1.050 2.195) 2.434 9.749 ( 0.000 -2.316 -0.737) 2.431 9.749 ( 0.000 2.316 -0.737) 2.431 9.875 ( 0.000 -1.822 -1.125) 2.142 9.875 ( 0.000 1.822 -1.125) 2.142 10.046 ( 0.000 -1.087 -0.647) 1.265 10.046 ( 0.000 1.087 -0.647) 1.265 10.866 ( 0.000 -2.185 0.008) 2.185 10.866 ( 0.000 2.185 0.008) 2.185 10.992 ( 0.000 -3.656 -1.001) 3.791 10.992 ( 0.000 3.656 -1.001) 3.791 12.365 ( 0.000 -2.241 4.401) 4.939 12.365 ( 0.000 2.241 4.401) 4.939 12.555 ( 0.000 -0.158 0.028) 0.160 12.555 ( 0.000 0.158 0.028) 0.160 13.079 ( 0.000 -2.939 3.069) 4.250 13.079 ( 0.000 2.939 3.069) 4.250 13.573 ( 0.000 -2.237 -5.938) 6.345 13.573 ( 0.000 2.237 -5.938) 6.345 14.526 ( 0.000 -5.587 7.649) 9.473 14.526 ( 0.000 5.587 7.649) 9.473 14.694 ( 0.000 -4.113 -4.093) 5.803 14.694 ( 0.000 4.113 -4.093) 5.803 14.998 ( 0.000 -1.692 -0.735) 1.845 14.998 ( 0.000 1.692 -0.735) 1.845 15.678 ( 0.000 -0.829 -1.455) 1.674 15.678 ( 0.000 0.829 -1.455) 1.674 16.240 ( 0.000 -4.038 1.548) 4.325 16.240 ( 0.000 4.038 1.548) 4.325 16.402 ( 0.000 -3.568 -1.441) 3.848 16.402 ( 0.000 3.568 -1.441) 3.848 17.078 ( 0.000 -0.179 0.000) 0.179 17.078 ( 0.000 0.179 0.000) 0.179 17.391 ( 0.000 -0.754 -0.183) 0.776 17.391 ( 0.000 0.754 -0.183) 0.776 18.055 ( 0.000 -2.345 2.652) 3.540 18.055 ( 0.000 2.345 2.652) 3.540 18.446 ( 0.000 -2.197 -2.289) 3.173 18.446 ( 0.000 2.197 -2.289) 3.173 18.943 ( 0.000 -1.551 1.012) 1.852 18.943 ( 0.000 1.551 1.012) 1.852 19.035 ( 0.000 -0.384 -0.307) 0.491 19.035 ( 0.000 0.384 -0.307) 0.491 19.785 ( 0.000 -9.512 6.537) 11.541 19.785 ( 0.000 9.512 6.537) 11.541 19.962 ( 0.000 -8.519 -7.637) 11.441 19.962 ( 0.000 8.519 -7.637) 11.441 20.820 ( 0.000 -4.582 4.406) 6.357 20.820 ( 0.000 4.582 4.406) 6.357 20.935 ( 0.000 -2.756 -7.080) 7.597 20.935 ( 0.000 2.756 -7.080) 7.597 21.612 ( 0.000 -0.641 1.192) 1.353 21.612 ( 0.000 0.641 1.192) 1.353 22.174 ( 0.000 -0.912 0.389) 0.992 22.174 ( 0.000 0.912 0.389) 0.992 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 7.874 -15.310 11.738) 20.837 2.239 ( 7.874 15.310 11.738) 20.837 2.367 ( 3.062 -15.516 16.023) 22.513 2.367 ( 3.062 15.516 16.023) 22.513 2.630 ( 1.200 -8.753 -9.785) 13.183 2.630 ( 1.200 8.753 -9.785) 13.183 2.811 ( 4.899 -14.835 -13.245) 20.482 2.811 ( 4.899 14.835 -13.245) 20.482 3.555 ( 2.087 -8.235 8.819) 12.245 3.555 ( 2.087 8.235 8.819) 12.245 3.797 ( -0.956 -4.339 6.235) 7.656 3.797 ( -0.956 4.339 6.235) 7.656 3.998 ( -1.578 -6.776 -8.773) 11.197 3.998 ( -1.578 6.776 -8.773) 11.197 4.256 ( 3.379 -4.295 -1.351) 5.629 4.256 ( 3.379 4.295 -1.351) 5.629 4.519 ( -0.989 -5.701 6.675) 8.833 4.519 ( -0.989 5.701 6.675) 8.833 4.703 ( 0.149 -6.675 -8.564) 10.859 4.703 ( 0.149 6.675 -8.564) 10.859 4.940 ( -2.859 -2.820 -1.166) 4.181 4.940 ( -2.859 2.820 -1.166) 4.181 5.183 ( -1.881 -3.981 0.179) 4.407 5.183 ( -1.881 3.981 0.179) 4.407 5.539 ( 1.330 -6.888 1.144) 7.108 5.539 ( 1.330 6.888 1.144) 7.108 5.669 ( 1.796 -3.759 -5.166) 6.636 5.669 ( 1.796 3.759 -5.166) 6.636 5.835 ( -2.080 -3.621 -0.563) 4.214 5.835 ( -2.080 3.621 -0.563) 4.214 6.038 ( 2.320 -1.265 -0.462) 2.682 6.038 ( 2.320 1.265 -0.462) 2.682 6.387 ( -3.952 -0.790 2.053) 4.523 6.387 ( -3.952 0.790 2.053) 4.523 6.491 ( 1.964 -1.813 -1.673) 3.154 6.491 ( 1.964 1.813 -1.673) 3.154 7.102 ( -0.700 -2.236 0.506) 2.397 7.102 ( -0.700 2.236 0.506) 2.397 7.161 ( -6.227 -3.370 -1.173) 7.177 7.161 ( -6.227 3.370 -1.173) 7.177 7.723 ( 1.843 -2.774 3.704) 4.981 7.723 ( 1.843 2.774 3.704) 4.981 7.845 ( -3.658 -1.596 -0.625) 4.040 7.845 ( -3.658 1.596 -0.625) 4.040 8.157 ( 3.314 -2.032 2.618) 4.687 8.157 ( 3.314 2.032 2.618) 4.687 8.338 ( 0.196 -3.151 -0.420) 3.185 8.338 ( 0.196 3.151 -0.420) 3.185 8.818 ( -2.623 -4.677 3.124) 6.206 8.818 ( -2.623 4.677 3.124) 6.206 8.966 ( -5.318 -2.978 -3.897) 7.234 8.966 ( -5.318 2.978 -3.897) 7.234 9.623 ( -0.136 -1.780 3.861) 4.254 9.623 ( -0.136 1.780 3.861) 4.254 9.725 ( -1.224 -1.036 -3.874) 4.193 9.725 ( -1.224 1.036 -3.874) 4.193 9.917 ( 4.655 -1.279 -0.878) 4.907 9.917 ( 4.655 1.279 -0.878) 4.907 10.099 ( 4.349 -1.121 -0.305) 4.502 10.099 ( 4.349 1.121 -0.305) 4.502 10.950 ( 8.063 -1.239 0.483) 8.172 10.950 ( 8.063 1.239 0.483) 8.172 11.076 ( 7.954 -2.398 -1.614) 8.463 11.076 ( 7.954 2.398 -1.614) 8.463 12.366 ( 0.253 -2.022 4.717) 5.139 12.366 ( 0.253 2.022 4.717) 5.139 12.560 ( 0.486 -0.430 -0.499) 0.819 12.560 ( 0.486 0.430 -0.499) 0.819 13.128 ( 4.769 -2.885 3.655) 6.666 13.128 ( 4.769 2.885 3.655) 6.666 13.513 ( -5.963 -2.265 -6.023) 8.773 13.513 ( -5.963 2.265 -6.023) 8.773 14.471 ( -5.882 -4.697 7.526) 10.645 14.471 ( -5.882 4.697 7.526) 10.645 14.607 ( -5.421 -4.373 -5.356) 8.786 14.607 ( -5.421 4.373 -5.356) 8.786 15.057 ( 3.377 -0.853 1.047) 3.637 15.057 ( 3.377 0.853 1.047) 3.637 15.628 ( -5.494 -1.812 -2.028) 6.131 15.628 ( -5.494 1.812 -2.028) 6.131 16.222 ( -1.184 -2.317 0.765) 2.713 16.222 ( -1.184 2.317 0.765) 2.713 16.454 ( 5.017 -2.201 -0.525) 5.503 16.454 ( 5.017 2.201 -0.525) 5.503 17.131 ( 5.075 -1.024 0.339) 5.188 17.131 ( 5.075 1.024 0.339) 5.188 17.424 ( 2.989 -1.487 -0.931) 3.466 17.424 ( 2.989 1.487 -0.931) 3.466 18.070 ( 1.632 -2.523 2.123) 3.679 18.070 ( 1.632 2.523 2.123) 3.679 18.450 ( -0.032 -2.284 -1.693) 2.843 18.450 ( -0.032 2.284 -1.693) 2.843 18.902 ( -3.343 -1.886 1.044) 3.978 18.902 ( -3.343 1.886 1.044) 3.978 19.004 ( -2.946 -1.685 -0.367) 3.413 19.004 ( -2.946 1.685 -0.367) 3.413 19.805 ( 1.504 -7.211 5.164) 8.996 19.805 ( 1.504 7.211 5.164) 8.996 19.989 ( 2.651 -6.297 -6.082) 9.147 19.989 ( 2.651 6.297 -6.082) 9.147 20.815 ( -0.657 -4.468 4.156) 6.137 20.815 ( -0.657 4.468 4.156) 6.137 20.926 ( -0.930 -2.895 -6.681) 7.341 20.926 ( -0.930 2.895 -6.681) 7.341 21.602 ( -0.851 -0.556 1.457) 1.777 21.602 ( -0.851 0.556 1.457) 1.777 22.148 ( -2.678 -1.533 -0.012) 3.086 22.148 ( -2.678 1.533 -0.012) 3.086 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 4.116 -16.046 11.692) 20.276 2.361 ( 4.116 16.046 11.692) 20.276 2.470 ( 7.448 -13.057 9.674) 17.876 2.470 ( 7.448 13.057 9.674) 17.876 2.712 ( 7.647 -7.800 -5.705) 12.323 2.712 ( 7.647 7.800 -5.705) 12.323 2.931 ( 6.965 -9.461 -13.376) 17.803 2.931 ( 6.965 9.461 -13.376) 17.803 3.573 ( -1.161 -1.736 4.352) 4.827 3.573 ( -1.161 1.736 4.352) 4.827 3.781 ( -0.079 -3.668 6.662) 7.606 3.781 ( -0.079 3.668 6.662) 7.606 3.974 ( -0.849 -5.999 -10.770) 12.357 3.974 ( -0.849 5.999 -10.770) 12.357 4.252 ( -5.100 -2.518 -0.667) 5.726 4.252 ( -5.100 2.518 -0.667) 5.726 4.516 ( 0.426 -7.021 8.514) 11.044 4.516 ( 0.426 7.021 8.514) 11.044 4.724 ( 2.417 -5.051 -5.896) 8.131 4.724 ( 2.417 5.051 -5.896) 8.131 4.899 ( -0.454 -2.717 1.627) 3.199 4.899 ( -0.454 2.717 1.627) 3.199 5.169 ( 1.003 -4.142 -1.706) 4.591 5.169 ( 1.003 4.142 -1.706) 4.591 5.555 ( 0.201 -7.500 -1.243) 7.605 5.555 ( 0.201 7.500 -1.243) 7.605 5.690 ( 1.211 -5.095 -1.663) 5.494 5.690 ( 1.211 5.095 -1.663) 5.494 5.849 ( 3.067 -2.986 0.811) 4.356 5.849 ( 3.067 2.986 0.811) 4.356 6.104 ( 3.458 -1.194 0.244) 3.666 6.104 ( 3.458 1.194 0.244) 3.666 6.285 ( -5.847 -1.310 2.438) 6.469 6.285 ( -5.847 1.310 2.438) 6.469 6.483 ( -3.833 -1.341 -1.802) 4.442 6.483 ( -3.833 1.341 -1.802) 4.442 6.985 ( -8.656 -2.309 -1.059) 9.021 6.985 ( -8.656 2.309 -1.059) 9.021 7.094 ( -2.085 -3.748 -2.070) 4.762 7.094 ( -2.085 3.748 -2.070) 4.762 7.752 ( 1.225 -1.932 4.778) 5.297 7.752 ( 1.225 1.932 4.778) 5.297 7.818 ( 0.650 -0.580 -1.960) 2.145 7.818 ( 0.650 0.580 -1.960) 2.145 8.191 ( 0.631 -1.936 2.556) 3.268 8.191 ( 0.631 1.936 2.556) 3.268 8.345 ( -0.198 -2.325 -0.340) 2.358 8.345 ( -0.198 2.325 -0.340) 2.358 8.763 ( -3.655 -4.682 1.859) 6.224 8.763 ( -3.655 4.682 1.859) 6.224 8.840 ( -6.209 -4.184 -2.258) 7.820 8.840 ( -6.209 4.184 -2.258) 7.820 9.630 ( 1.063 -1.453 3.431) 3.874 9.630 ( 1.063 1.453 3.431) 3.874 9.715 ( 0.173 -2.163 -4.255) 4.776 9.715 ( 0.173 2.163 -4.255) 4.776 10.034 ( 6.821 -0.795 -0.360) 6.877 10.034 ( 6.821 0.795 -0.360) 6.877 10.187 ( 4.760 -1.181 -0.633) 4.945 10.187 ( 4.760 1.181 -0.633) 4.945 11.131 ( 9.790 -1.865 1.657) 10.102 11.131 ( 9.790 1.865 1.657) 10.102 11.247 ( 8.805 -1.992 -2.755) 9.439 11.247 ( 8.805 1.992 -2.755) 9.439 12.381 ( 1.478 -1.570 4.943) 5.393 12.381 ( 1.478 1.570 4.943) 5.393 12.572 ( 0.736 -1.077 -1.385) 1.902 12.572 ( 0.736 1.077 -1.385) 1.902 13.230 ( 4.193 -4.599 5.565) 8.348 13.230 ( 4.193 4.599 5.565) 8.348 13.384 ( -5.588 -3.876 -6.640) 9.504 13.384 ( -5.588 3.876 -6.640) 9.504 14.353 ( -4.980 -1.971 3.364) 6.325 14.353 ( -4.980 1.971 3.364) 6.325 14.524 ( -3.758 -2.195 -2.826) 5.189 14.524 ( -3.758 2.195 -2.826) 5.189 15.083 ( -0.564 -0.996 3.451) 3.636 15.083 ( -0.564 0.996 3.451) 3.636 15.474 ( -10.064 -2.930 -3.862) 11.170 15.474 ( -10.064 2.930 -3.862) 11.170 16.228 ( 2.146 -1.470 1.038) 2.800 16.228 ( 2.146 1.470 1.038) 2.800 16.558 ( 4.923 -2.415 -0.112) 5.485 16.558 ( 4.923 2.415 -0.112) 5.485 17.247 ( 6.577 -2.582 1.029) 7.140 17.247 ( 6.577 2.582 1.029) 7.140 17.485 ( 3.094 -3.144 -2.445) 5.043 17.485 ( 3.094 3.144 -2.445) 5.043 18.120 ( 3.615 -2.999 1.411) 4.905 18.120 ( 3.615 2.999 1.411) 4.905 18.423 ( -2.852 -2.361 -0.683) 3.765 18.423 ( -2.852 2.361 -0.683) 3.765 18.858 ( -0.845 -2.397 1.055) 2.752 18.858 ( -0.845 2.397 1.055) 2.752 18.941 ( -3.246 -2.190 -0.562) 3.956 18.941 ( -3.246 2.190 -0.562) 3.956 19.823 ( 0.277 -4.693 2.707) 5.425 19.823 ( 0.277 4.693 2.707) 5.425 20.049 ( 3.071 -4.084 -3.263) 6.063 20.049 ( 3.071 4.084 -3.263) 6.063 20.790 ( -2.020 -3.585 2.565) 4.849 20.790 ( -2.020 3.585 2.565) 4.849 20.904 ( -1.253 -2.546 -4.719) 5.506 20.904 ( -1.253 2.546 -4.719) 5.506 21.592 ( 0.092 -0.464 1.871) 1.930 21.592 ( 0.092 0.464 1.871) 1.930 22.076 ( -4.742 -1.887 -0.739) 5.156 22.076 ( -4.742 1.887 -0.739) 5.156 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.985 -8.440 6.831) 12.398 2.452 ( 5.985 8.440 6.831) 12.398 2.591 ( 4.838 -8.642 2.860) 10.309 2.591 ( 4.838 8.642 2.860) 10.309 2.884 ( 8.842 -3.655 0.860) 9.606 2.884 ( 8.842 3.655 0.860) 9.606 3.041 ( 3.687 -1.546 -10.528) 11.262 3.041 ( 3.687 1.546 -10.528) 11.262 3.527 ( -1.990 -2.266 2.705) 4.051 3.527 ( -1.990 2.266 2.705) 4.051 3.798 ( 1.504 -3.446 5.685) 6.816 3.798 ( 1.504 3.446 5.685) 6.816 3.959 ( -2.525 -4.539 -7.360) 9.008 3.959 ( -2.525 4.539 -7.360) 9.008 4.097 ( -7.370 -2.374 -5.308) 9.388 4.097 ( -7.370 2.374 -5.308) 9.388 4.512 ( -1.205 -4.842 6.178) 7.941 4.512 ( -1.205 4.842 6.178) 7.941 4.779 ( 2.125 -4.711 -2.635) 5.801 4.779 ( 2.125 4.711 -2.635) 5.801 4.931 ( 2.996 -2.430 3.969) 5.535 4.931 ( 2.996 2.430 3.969) 5.535 5.210 ( 2.444 -3.804 0.381) 4.538 5.210 ( 2.444 3.804 0.381) 4.538 5.569 ( 1.471 -6.698 -1.365) 6.992 5.569 ( 1.471 6.698 -1.365) 6.992 5.722 ( 2.069 -6.927 -0.490) 7.246 5.722 ( 2.069 6.927 -0.490) 7.246 5.915 ( 3.199 -2.758 0.946) 4.328 5.915 ( 3.199 2.758 0.946) 4.328 6.083 ( -5.699 -4.215 1.319) 7.210 6.083 ( -5.699 4.215 1.319) 7.210 6.237 ( 0.135 -2.671 2.269) 3.507 6.237 ( 0.135 2.671 2.269) 3.507 6.352 ( -7.497 -2.258 -3.217) 8.465 6.352 ( -7.497 2.258 -3.217) 8.465 6.878 ( -2.238 -2.894 -1.368) 3.905 6.878 ( -2.238 2.894 -1.368) 3.905 7.040 ( -3.347 -2.799 -2.181) 4.878 7.040 ( -3.347 2.799 -2.181) 4.878 7.781 ( 1.864 -2.295 2.590) 3.931 7.781 ( 1.864 2.295 2.590) 3.931 7.854 ( 3.100 -2.551 -0.367) 4.032 7.854 ( 3.100 2.551 -0.367) 4.032 8.197 ( -0.353 -3.220 2.918) 4.360 8.197 ( -0.353 3.220 2.918) 4.360 8.289 ( -5.500 -2.640 -1.781) 6.356 8.289 ( -5.500 2.640 -1.781) 6.356 8.684 ( -3.270 -4.828 3.816) 6.969 8.684 ( -3.270 4.828 3.816) 6.969 8.771 ( -2.098 -4.445 -4.137) 6.424 8.771 ( -2.098 4.445 -4.137) 6.424 9.657 ( 1.659 -0.865 1.918) 2.679 9.657 ( 1.659 0.865 1.918) 2.679 9.726 ( 0.721 -2.201 -2.791) 3.627 9.726 ( 0.721 2.201 -2.791) 3.627 10.154 ( 5.485 -0.983 0.886) 5.642 10.154 ( 5.485 0.983 0.886) 5.642 10.273 ( 3.978 -1.191 -1.659) 4.472 10.273 ( 3.978 1.191 -1.659) 4.472 11.292 ( 6.736 -2.786 2.547) 7.721 11.292 ( 6.736 2.786 2.547) 7.721 11.382 ( 5.077 -2.660 -3.005) 6.472 11.382 ( 5.077 2.660 -3.005) 6.472 12.422 ( 2.720 -1.125 4.146) 5.085 12.422 ( 2.720 1.125 4.146) 5.085 12.583 ( 0.183 -1.917 -1.631) 2.524 12.583 ( 0.183 1.917 -1.631) 2.524 13.215 ( -2.486 -3.390 0.614) 4.249 13.215 ( -2.486 3.390 0.614) 4.249 13.384 ( 2.472 -3.501 -0.554) 4.322 13.384 ( 2.472 3.501 -0.554) 4.322 14.299 ( -0.818 -1.298 1.383) 2.066 14.299 ( -0.818 1.298 1.383) 2.066 14.461 ( -2.759 -1.605 -1.662) 3.599 14.461 ( -2.759 1.605 -1.662) 3.599 15.046 ( -2.915 -1.591 5.393) 6.333 15.046 ( -2.915 1.591 5.393) 6.333 15.278 ( -9.656 -2.967 -5.879) 11.688 15.278 ( -9.656 2.967 -5.879) 11.688 16.296 ( 4.586 -1.596 2.143) 5.307 16.296 ( 4.586 1.596 2.143) 5.307 16.618 ( 1.188 -3.071 -0.899) 3.414 16.618 ( 1.188 3.071 -0.899) 3.414 17.368 ( 5.958 -3.663 1.543) 7.162 17.368 ( 5.958 3.663 1.543) 7.162 17.533 ( 1.820 -4.667 -3.371) 6.038 17.533 ( 1.820 4.667 -3.371) 6.038 18.203 ( 4.853 -3.371 1.313) 6.053 18.203 ( 4.853 3.371 1.313) 6.053 18.364 ( -2.532 -2.870 -0.292) 3.839 18.364 ( -2.532 2.870 -0.292) 3.839 18.847 ( -1.346 -2.616 2.420) 3.810 18.847 ( -1.346 2.616 2.420) 3.810 18.896 ( -1.317 -1.671 -2.153) 3.027 18.896 ( -1.317 1.671 -2.153) 3.027 19.828 ( 0.733 -4.203 1.335) 4.470 19.828 ( 0.733 4.203 1.335) 4.470 20.081 ( -0.183 -4.032 -1.653) 4.362 20.081 ( -0.183 4.032 -1.653) 4.362 20.751 ( -1.511 -1.997 0.636) 2.584 20.751 ( -1.511 1.997 0.636) 2.584 20.879 ( -1.453 -1.293 -2.358) 3.057 20.879 ( -1.453 1.293 -2.358) 3.057 21.610 ( 1.819 -0.676 2.162) 2.905 21.610 ( 1.819 0.676 2.162) 2.905 21.974 ( -5.740 -1.722 -1.305) 6.133 21.974 ( -5.740 1.722 -1.305) 6.133 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 4.035 -3.642 5.134) 7.477 2.560 ( 4.035 3.642 5.134) 7.477 2.667 ( 3.357 -4.966 -2.939) 6.676 2.667 ( 3.357 4.966 -2.939) 6.676 2.990 ( 2.799 -2.287 -0.209) 3.620 2.990 ( 2.799 2.287 -0.209) 3.620 3.089 ( 1.926 -4.506 -4.255) 6.490 3.089 ( 1.926 4.506 -4.255) 6.490 3.522 ( 0.793 -2.981 2.051) 3.705 3.522 ( 0.793 2.981 2.051) 3.705 3.751 ( -10.207 -1.187 -0.508) 10.288 3.751 ( -10.207 1.187 -0.508) 10.288 3.898 ( 4.827 -3.521 6.630) 8.925 3.898 ( 4.827 3.521 6.630) 8.925 4.114 ( 5.092 -3.535 -9.997) 11.763 4.114 ( 5.092 3.535 -9.997) 11.763 4.471 ( -2.398 -3.905 3.978) 6.069 4.471 ( -2.398 3.905 3.978) 6.069 4.733 ( -7.586 -3.274 -3.366) 8.922 4.733 ( -7.586 3.274 -3.366) 8.922 5.013 ( 5.657 -1.980 4.966) 7.784 5.013 ( 5.657 1.980 4.966) 7.784 5.231 ( -0.744 -2.933 0.295) 3.040 5.231 ( -0.744 2.933 0.295) 3.040 5.611 ( 3.233 -4.612 0.239) 5.637 5.611 ( 3.233 4.612 0.239) 5.637 5.757 ( 0.467 -5.296 1.904) 5.647 5.757 ( 0.467 5.296 1.904) 5.647 5.947 ( -1.320 -4.534 0.517) 4.750 5.947 ( -1.320 4.534 0.517) 4.750 5.989 ( -1.376 -2.449 -2.515) 3.770 5.989 ( -1.376 2.449 -2.515) 3.770 6.196 ( -1.823 -1.377 3.098) 3.849 6.196 ( -1.823 1.377 3.098) 3.849 6.291 ( -1.148 -3.331 -2.493) 4.316 6.291 ( -1.148 3.331 -2.493) 4.316 6.875 ( 1.177 -2.432 -0.799) 2.818 6.875 ( 1.177 2.432 -0.799) 2.818 6.975 ( -3.288 -1.821 -2.136) 4.323 6.975 ( -3.288 1.821 -2.136) 4.323 7.822 ( 2.599 -2.062 1.137) 3.507 7.822 ( 2.599 2.062 1.137) 3.507 7.927 ( 3.252 -2.308 0.342) 4.003 7.927 ( 3.252 2.308 0.342) 4.003 8.122 ( -4.943 -0.909 2.827) 5.766 8.122 ( -4.943 0.909 2.827) 5.766 8.228 ( -1.791 -1.424 -1.328) 2.646 8.228 ( -1.791 1.424 -1.328) 2.646 8.646 ( -0.570 -4.054 2.415) 4.754 8.646 ( -0.570 4.054 2.415) 4.754 8.735 ( -2.011 -3.290 -3.847) 5.446 8.735 ( -2.011 3.290 -3.847) 5.446 9.691 ( 1.804 -0.818 0.710) 2.104 9.691 ( 1.804 0.818 0.710) 2.104 9.734 ( -0.069 -1.771 -1.482) 2.310 9.734 ( -0.069 1.771 -1.482) 2.310 10.237 ( 3.084 -1.033 2.482) 4.091 10.237 ( 3.084 1.033 2.482) 4.091 10.330 ( 1.942 -0.966 -3.171) 3.842 10.330 ( 1.942 0.966 -3.171) 3.842 11.383 ( 2.943 -2.568 2.634) 4.711 11.383 ( 2.943 2.568 2.634) 4.711 11.443 ( 1.563 -2.450 -2.291) 3.700 11.443 ( 1.563 2.450 -2.291) 3.700 12.476 ( 2.755 -1.035 2.770) 4.041 12.476 ( 2.755 1.035 2.770) 4.041 12.572 ( -1.234 -2.121 -1.156) 2.712 12.572 ( -1.234 2.121 -1.156) 2.712 13.221 ( 3.144 -1.998 -0.393) 3.746 13.221 ( 3.144 1.998 -0.393) 3.746 13.388 ( -2.324 -2.011 0.636) 3.139 13.388 ( -2.324 2.011 0.636) 3.139 14.313 ( 1.935 -0.817 1.458) 2.557 14.313 ( 1.935 0.817 1.458) 2.557 14.421 ( -1.698 -1.169 -1.163) 2.367 14.421 ( -1.698 1.169 -1.163) 2.367 14.990 ( -2.464 -1.449 5.365) 6.079 14.990 ( -2.464 1.449 5.365) 6.079 15.127 ( -5.862 -1.997 -6.298) 8.833 15.127 ( -5.862 1.997 -6.298) 8.833 16.388 ( 4.698 -1.603 3.856) 6.286 16.388 ( 4.698 1.603 3.856) 6.286 16.606 ( -2.040 -2.699 -2.723) 4.343 16.606 ( -2.040 2.699 -2.723) 4.343 17.467 ( 4.234 -4.463 0.833) 6.208 17.467 ( 4.234 4.463 0.833) 6.208 17.551 ( -0.081 -5.457 -2.685) 6.082 17.551 ( -0.081 5.456 -2.685) 6.082 18.289 ( 3.589 -5.488 1.965) 6.845 18.289 ( 3.589 5.488 1.965) 6.845 18.345 ( 0.431 -5.938 -0.445) 5.970 18.345 ( 0.431 5.938 -0.445) 5.970 18.816 ( -1.087 -1.605 1.477) 2.437 18.816 ( -1.087 1.605 1.477) 2.437 18.868 ( -2.115 -1.277 -1.838) 3.080 18.868 ( -2.115 1.277 -1.838) 3.080 19.863 ( 3.117 -4.131 0.684) 5.220 19.863 ( 3.117 4.131 0.684) 5.220 20.038 ( -3.993 -4.336 -0.981) 5.976 20.038 ( -3.993 4.336 -0.981) 5.976 20.747 ( 1.034 -0.855 0.389) 1.397 20.747 ( 1.034 0.855 0.389) 1.397 20.845 ( -2.044 -0.445 -1.686) 2.687 20.845 ( -2.044 0.445 -1.686) 2.687 21.658 ( 3.053 -0.701 2.774) 4.184 21.658 ( 3.053 0.701 2.774) 4.184 21.866 ( -5.334 -1.308 -2.056) 5.865 21.866 ( -5.334 1.308 -2.056) 5.865 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 -0.000 4.589) 4.589 2.595 ( 0.000 0.000 4.589) 4.589 2.698 ( 0.000 -0.000 -4.580) 4.580 2.698 ( 0.000 0.000 -4.580) 4.580 3.056 ( -0.000 -0.000 -0.784) 0.784 3.056 ( 0.000 0.000 -0.784) 0.784 3.075 ( -0.000 0.000 -3.205) 3.205 3.075 ( 0.000 0.000 -3.205) 3.205 3.546 ( 0.000 -0.000 3.432) 3.432 3.546 ( 0.000 0.000 3.432) 3.432 3.614 ( 0.000 -0.000 -3.131) 3.131 3.614 ( 0.000 0.000 -3.131) 3.131 3.988 ( -0.000 0.000 10.167) 10.167 3.988 ( 0.000 0.000 10.167) 10.167 4.168 ( 0.000 0.000 -4.244) 4.244 4.168 ( 0.000 0.000 -4.244) 4.244 4.467 ( 0.000 0.000 1.713) 1.713 4.467 ( 0.000 0.000 1.713) 1.713 4.599 ( -0.000 -0.000 -8.863) 8.863 4.599 ( 0.000 0.000 -8.863) 8.863 5.093 ( -0.000 0.000 8.035) 8.035 5.093 ( 0.000 0.000 8.035) 8.035 5.202 ( 0.000 0.000 -2.908) 2.908 5.202 ( 0.000 -0.000 -2.908) 2.908 5.687 ( -0.000 -0.000 2.818) 2.818 5.687 ( 0.000 0.000 2.818) 2.818 5.709 ( 0.000 -0.000 1.797) 1.797 5.709 ( 0.000 0.000 1.797) 1.797 5.945 ( 0.000 -0.000 -0.802) 0.802 5.945 ( 0.000 0.000 -0.802) 0.802 5.973 ( -0.000 -0.000 -2.706) 2.706 5.973 ( 0.000 0.000 -2.706) 2.706 6.200 ( 0.000 -0.000 3.595) 3.595 6.200 ( 0.000 0.000 3.595) 3.595 6.267 ( 0.000 0.000 -2.604) 2.604 6.267 ( 0.000 0.000 -2.604) 2.604 6.899 ( 0.000 -0.000 0.426) 0.426 6.899 ( 0.000 0.000 0.426) 0.426 6.931 ( 0.000 -0.000 -3.080) 3.080 6.931 ( 0.000 0.000 -3.080) 3.080 7.870 ( 0.000 -0.000 2.516) 2.516 7.870 ( 0.000 0.000 2.516) 2.516 7.922 ( -0.000 0.000 -2.290) 2.290 7.922 ( 0.000 0.000 -2.290) 2.290 8.114 ( -0.000 0.000 4.990) 4.990 8.114 ( 0.000 0.000 4.990) 4.990 8.184 ( 0.000 0.000 -1.671) 1.671 8.184 ( 0.000 0.000 -1.671) 1.671 8.654 ( 0.000 -0.000 0.984) 0.984 8.654 ( 0.000 0.000 0.984) 0.984 8.703 ( 0.000 -0.000 -3.515) 3.515 8.703 ( 0.000 0.000 -3.515) 3.515 9.718 ( -0.000 -0.000 -0.085) 0.085 9.718 ( 0.000 -0.000 -0.085) 0.085 9.724 ( -0.000 0.000 -0.619) 0.619 9.724 ( 0.000 0.000 -0.619) 0.619 10.267 ( 0.000 -0.000 3.489) 3.489 10.267 ( 0.000 0.000 3.489) 3.489 10.348 ( 0.000 -0.000 -4.186) 4.186 10.348 ( 0.000 0.000 -4.186) 4.186 11.411 ( 0.000 -0.000 2.502) 2.502 11.411 ( 0.000 0.000 2.502) 2.502 11.455 ( 0.000 -0.000 -1.824) 1.824 11.455 ( 0.000 0.000 -1.824) 1.824 12.513 ( -0.000 -0.000 2.482) 2.482 12.513 ( 0.000 0.000 2.482) 2.482 12.550 ( 0.000 -0.000 -1.201) 1.201 12.550 ( 0.000 0.000 -1.201) 1.201 13.308 ( -0.000 -0.001 0.155) 0.155 13.308 ( -0.000 0.000 0.155) 0.155 13.311 ( -0.000 -0.000 -0.064) 0.064 13.311 ( 0.000 0.001 -0.064) 0.064 14.346 ( 0.000 0.000 2.791) 2.791 14.346 ( 0.000 0.000 2.791) 2.791 14.395 ( -0.000 0.000 -1.783) 1.783 14.395 ( 0.000 0.000 -1.783) 1.783 14.966 ( 0.000 0.000 4.185) 4.185 14.966 ( 0.000 0.000 4.185) 4.185 15.068 ( 0.000 0.000 -5.538) 5.538 15.068 ( 0.000 0.000 -5.538) 5.538 16.446 ( 0.000 -0.000 6.635) 6.635 16.446 ( 0.000 0.000 6.635) 6.635 16.573 ( 0.000 0.000 -5.589) 5.589 16.573 ( 0.000 0.000 -5.589) 5.589 17.523 ( 0.000 -0.000 -0.416) 0.416 17.523 ( 0.000 0.000 -0.416) 0.416 17.534 ( -0.000 -0.000 -1.437) 1.437 17.534 ( 0.000 0.000 -1.437) 1.437 18.323 ( 0.000 -0.000 2.644) 2.644 18.323 ( 0.000 0.000 2.644) 2.644 18.357 ( 0.000 -0.000 -0.598) 0.598 18.357 ( 0.000 0.000 -0.598) 0.598 18.821 ( 0.000 -0.000 -0.268) 0.268 18.821 ( 0.000 0.000 -0.268) 0.268 18.826 ( -0.000 -0.000 -0.696) 0.696 18.826 ( 0.000 0.000 -0.696) 0.696 19.929 ( 0.000 0.000 1.412) 1.412 19.929 ( 0.000 0.000 1.412) 1.412 19.962 ( -0.000 -0.000 -1.737) 1.737 19.962 ( 0.000 0.000 -1.737) 1.737 20.769 ( 0.000 -0.000 1.676) 1.676 20.769 ( 0.000 0.000 1.676) 1.676 20.815 ( -0.000 0.000 -2.773) 2.773 20.815 ( 0.000 0.000 -2.773) 2.773 21.703 ( 0.000 -0.000 4.910) 4.910 21.703 ( 0.000 0.000 4.910) 4.910 21.798 ( 0.000 0.000 -4.232) 4.232 21.798 ( 0.000 0.000 -4.232) 4.232 =================== 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 3/32400 10.0 2196.782 3038.896 2099.361 0.000 0.000 0.000 3/32400 20.0 563.664 586.411 565.481 0.000 0.000 0.000 3/32400 30.0 191.961 186.614 193.339 0.000 0.000 0.000 3/32400 40.0 92.086 86.236 91.805 0.000 0.000 0.000 3/32400 50.0 54.515 49.974 53.979 0.000 0.000 0.000 3/32400 60.0 36.788 33.295 36.251 0.000 0.000 0.000 3/32400 70.0 27.049 24.290 26.556 0.000 0.000 0.000 3/32400 80.0 21.098 18.854 20.653 0.000 0.000 0.000 3/32400 90.0 17.169 15.296 16.766 0.000 0.000 0.000 3/32400 100.0 14.417 12.820 14.049 0.000 0.000 0.000 3/32400 110.0 12.399 11.013 12.061 0.000 0.000 0.000 3/32400 120.0 10.865 9.644 10.551 0.000 0.000 0.000 3/32400 130.0 9.663 8.575 9.371 0.000 0.000 0.000 3/32400 140.0 8.698 7.719 8.425 0.000 0.000 0.000 3/32400 150.0 7.908 7.020 7.652 0.000 0.000 0.000 3/32400 160.0 7.250 6.438 7.008 0.000 0.000 0.000 3/32400 170.0 6.694 5.948 6.465 0.000 0.000 0.000 3/32400 180.0 6.217 5.528 6.001 0.000 0.000 0.000 3/32400 190.0 5.805 5.166 5.600 0.000 0.000 0.000 3/32400 200.0 5.446 4.849 5.250 0.000 0.000 0.000 3/32400 210.0 5.128 4.571 4.942 0.000 0.000 0.000 3/32400 220.0 4.847 4.324 4.668 0.000 0.000 0.000 3/32400 230.0 4.596 4.103 4.425 0.000 0.000 0.000 3/32400 240.0 4.370 3.904 4.206 0.000 0.000 0.000 3/32400 250.0 4.165 3.725 4.008 0.000 0.000 0.000 3/32400 260.0 3.980 3.562 3.828 0.000 0.000 0.000 3/32400 270.0 3.811 3.413 3.665 0.000 0.000 0.000 3/32400 280.0 3.656 3.277 3.515 0.000 0.000 0.000 3/32400 290.0 3.513 3.151 3.377 0.000 0.000 0.000 3/32400 300.0 3.382 3.035 3.250 0.000 0.000 0.000 3/32400 310.0 3.260 2.928 3.132 0.000 0.000 0.000 3/32400 320.0 3.147 2.828 3.023 0.000 0.000 0.000 3/32400 330.0 3.041 2.736 2.922 0.000 0.000 0.000 3/32400 340.0 2.943 2.649 2.827 0.000 0.000 0.000 3/32400 350.0 2.851 2.568 2.739 0.000 0.000 0.000 3/32400 360.0 2.765 2.491 2.655 0.000 0.000 0.000 3/32400 370.0 2.684 2.420 2.577 0.000 0.000 0.000 3/32400 380.0 2.608 2.352 2.504 0.000 0.000 0.000 3/32400 390.0 2.536 2.288 2.435 0.000 0.000 0.000 3/32400 400.0 2.468 2.228 2.369 0.000 0.000 0.000 3/32400 410.0 2.403 2.171 2.307 0.000 0.000 0.000 3/32400 420.0 2.342 2.116 2.249 0.000 0.000 0.000 3/32400 430.0 2.284 2.065 2.193 0.000 0.000 0.000 3/32400 440.0 2.229 2.016 2.140 0.000 0.000 0.000 3/32400 450.0 2.177 1.969 2.089 0.000 0.000 0.000 3/32400 460.0 2.127 1.925 2.041 0.000 0.000 0.000 3/32400 470.0 2.079 1.882 1.996 0.000 0.000 0.000 3/32400 480.0 2.034 1.841 1.952 0.000 0.000 0.000 3/32400 490.0 1.990 1.803 1.910 0.000 0.000 0.000 3/32400 500.0 1.948 1.765 1.870 0.000 0.000 0.000 3/32400 510.0 1.908 1.730 1.832 0.000 0.000 0.000 3/32400 520.0 1.870 1.695 1.795 0.000 0.000 0.000 3/32400 530.0 1.833 1.662 1.759 0.000 0.000 0.000 3/32400 540.0 1.798 1.631 1.725 0.000 0.000 0.000 3/32400 550.0 1.764 1.600 1.693 0.000 0.000 0.000 3/32400 560.0 1.731 1.571 1.661 0.000 0.000 0.000 3/32400 570.0 1.700 1.543 1.631 0.000 0.000 0.000 3/32400 580.0 1.669 1.515 1.602 0.000 0.000 0.000 3/32400 590.0 1.640 1.489 1.574 0.000 0.000 0.000 3/32400 600.0 1.612 1.464 1.547 0.000 0.000 0.000 3/32400 610.0 1.585 1.439 1.521 0.000 0.000 0.000 3/32400 620.0 1.558 1.416 1.495 0.000 0.000 0.000 3/32400 630.0 1.533 1.393 1.471 0.000 0.000 0.000 3/32400 640.0 1.508 1.371 1.447 0.000 0.000 0.000 3/32400 650.0 1.484 1.349 1.424 0.000 0.000 0.000 3/32400 660.0 1.461 1.328 1.402 0.000 0.000 0.000 3/32400 670.0 1.439 1.308 1.381 0.000 0.000 0.000 3/32400 680.0 1.417 1.289 1.360 0.000 0.000 0.000 3/32400 690.0 1.396 1.270 1.339 0.000 0.000 0.000 3/32400 700.0 1.376 1.251 1.320 0.000 0.000 0.000 3/32400 710.0 1.356 1.233 1.301 0.000 0.000 0.000 3/32400 720.0 1.337 1.216 1.282 0.000 0.000 0.000 3/32400 730.0 1.318 1.199 1.264 0.000 0.000 0.000 3/32400 740.0 1.300 1.183 1.247 0.000 0.000 0.000 3/32400 750.0 1.282 1.167 1.230 0.000 0.000 0.000 3/32400 760.0 1.265 1.151 1.213 0.000 0.000 0.000 3/32400 770.0 1.248 1.136 1.197 0.000 0.000 0.000 3/32400 780.0 1.232 1.121 1.182 0.000 0.000 0.000 3/32400 790.0 1.216 1.107 1.166 0.000 0.000 0.000 3/32400 800.0 1.200 1.093 1.152 0.000 0.000 0.000 3/32400 810.0 1.185 1.079 1.137 0.000 0.000 0.000 3/32400 820.0 1.171 1.066 1.123 0.000 0.000 0.000 3/32400 830.0 1.156 1.053 1.109 0.000 0.000 0.000 3/32400 840.0 1.142 1.040 1.096 0.000 0.000 0.000 3/32400 850.0 1.129 1.028 1.083 0.000 0.000 0.000 3/32400 860.0 1.115 1.016 1.070 0.000 0.000 0.000 3/32400 870.0 1.102 1.004 1.057 0.000 0.000 0.000 3/32400 880.0 1.089 0.993 1.045 0.000 0.000 0.000 3/32400 890.0 1.077 0.981 1.033 0.000 0.000 0.000 3/32400 900.0 1.065 0.970 1.022 0.000 0.000 0.000 3/32400 910.0 1.053 0.960 1.010 0.000 0.000 0.000 3/32400 920.0 1.041 0.949 0.999 0.000 0.000 0.000 3/32400 930.0 1.030 0.939 0.988 0.000 0.000 0.000 3/32400 940.0 1.019 0.929 0.978 0.000 0.000 0.000 3/32400 950.0 1.008 0.919 0.967 0.000 0.000 0.000 3/32400 960.0 0.997 0.909 0.957 0.000 0.000 0.000 3/32400 970.0 0.987 0.900 0.947 0.000 0.000 0.000 3/32400 980.0 0.977 0.890 0.937 0.000 0.000 0.000 3/32400 990.0 0.967 0.881 0.928 0.000 0.000 0.000 3/32400 1000.0 0.957 0.873 0.918 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:14:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|