----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:11:19]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.423519150000018 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -1.617323469868688 0.000000000000000 6.472025850096163 Atomic positions (fractional): *1 Li 0.50911028456133 0.25000000000000 0.02408746218468 6.941 2 Li 0.49088971543867 0.75000000000000 0.97591253781532 6.941 *3 B 0.06057804871506 0.83656899862677 0.17567793747132 10.811 4 B 0.93942195128494 0.33656899862677 0.82432206252868 10.811 5 B 0.93942195128494 0.16343100137323 0.82432206252868 10.811 6 B 0.06057804871506 0.66343100137323 0.17567793747132 10.811 *7 B 0.72730041626905 0.25000000000000 0.49726172896413 10.811 8 B 0.27269958373095 0.75000000000000 0.50273827103587 10.811 *9 B 0.45120097757177 0.07915112754634 0.82261815283080 10.811 10 B 0.54879902242823 0.57915112754634 0.17738184716920 10.811 11 B 0.54879902242823 0.92084887245366 0.17738184716920 10.811 12 B 0.45120097757177 0.42084887245366 0.82261815283080 10.811 *13 O 0.77771362418552 0.08627563876412 0.89875498447452 15.999 14 O 0.22228637581448 0.58627563876412 0.10124501552548 15.999 15 O 0.22228637581448 0.91372436123588 0.10124501552548 15.999 16 O 0.77771362418552 0.41372436123588 0.89875498447452 15.999 *17 O 0.87581521900162 0.25000000000000 0.91794881210559 15.999 18 O 0.12418478099838 0.75000000000000 0.08205118789441 15.999 *19 O 0.53474666233475 0.25000000000000 0.30709511563620 15.999 20 O 0.46525333766525 0.75000000000000 0.69290488436381 15.999 *21 O 0.32882045297882 0.48759763162979 0.68918193773650 15.999 22 O 0.67117954702118 0.98759763162979 0.31081806226350 15.999 23 O 0.67117954702118 0.51240236837021 0.31081806226350 15.999 24 O 0.32882045297882 0.01240236837021 0.68918193773650 15.999 *25 O 0.27867002132347 0.35478975889349 0.89586739739648 15.999 26 O 0.72132997867653 0.85478975889349 0.10413260260352 15.999 27 O 0.72132997867653 0.64521024110651 0.10413260260352 15.999 28 O 0.27867002132347 0.14521024110651 0.89586739739648 15.999 *29 O 0.83204276874107 0.33258393357736 0.59608411748490 15.999 30 O 0.16795723125893 0.83258393357736 0.40391588251510 15.999 31 O 0.16795723125893 0.66741606642264 0.40391588251510 15.999 32 O 0.83204276874107 0.16741606642264 0.59608411748490 15.999 *33 Ba 0.16683215401955 0.08811000815211 0.30382521217185 137.327 34 Ba 0.83316784598045 0.58811000815211 0.69617478782815 137.327 35 Ba 0.83316784598045 0.91188999184789 0.69617478782815 137.327 36 Ba 0.16683215401955 0.41188999184789 0.30382521217185 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.423519150000018 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -1.617323469868688 0.000000000000000 6.472025850096163 Atomic positions (fractional): *1 Li 0.50911028456133 0.25000000000000 0.02408746218468 6.941 > 1 2 Li 0.49088971543867 0.75000000000000 0.97591253781532 6.941 > 2 *3 B 0.06057804871506 0.83656899862677 0.17567793747132 10.811 > 3 4 B 0.93942195128494 0.33656899862677 0.82432206252868 10.811 > 4 5 B 0.93942195128494 0.16343100137323 0.82432206252868 10.811 > 5 6 B 0.06057804871506 0.66343100137323 0.17567793747132 10.811 > 6 *7 B 0.72730041626905 0.25000000000000 0.49726172896413 10.811 > 7 8 B 0.27269958373095 0.75000000000000 0.50273827103587 10.811 > 8 *9 B 0.45120097757177 0.07915112754634 0.82261815283080 10.811 > 9 10 B 0.54879902242823 0.57915112754634 0.17738184716920 10.811 > 10 11 B 0.54879902242823 0.92084887245366 0.17738184716920 10.811 > 11 12 B 0.45120097757177 0.42084887245366 0.82261815283080 10.811 > 12 *13 O 0.77771362418552 0.08627563876412 0.89875498447452 15.999 > 13 14 O 0.22228637581448 0.58627563876412 0.10124501552548 15.999 > 14 15 O 0.22228637581448 0.91372436123588 0.10124501552548 15.999 > 15 16 O 0.77771362418552 0.41372436123588 0.89875498447452 15.999 > 16 *17 O 0.87581521900162 0.25000000000000 0.91794881210559 15.999 > 17 18 O 0.12418478099838 0.75000000000000 0.08205118789441 15.999 > 18 *19 O 0.53474666233475 0.25000000000000 0.30709511563620 15.999 > 19 20 O 0.46525333766525 0.75000000000000 0.69290488436381 15.999 > 20 *21 O 0.32882045297882 0.48759763162979 0.68918193773650 15.999 > 21 22 O 0.67117954702118 0.98759763162979 0.31081806226350 15.999 > 22 23 O 0.67117954702118 0.51240236837021 0.31081806226350 15.999 > 23 24 O 0.32882045297882 0.01240236837021 0.68918193773650 15.999 > 24 *25 O 0.27867002132347 0.35478975889349 0.89586739739648 15.999 > 25 26 O 0.72132997867653 0.85478975889349 0.10413260260352 15.999 > 26 27 O 0.72132997867653 0.64521024110651 0.10413260260352 15.999 > 27 28 O 0.27867002132347 0.14521024110651 0.89586739739648 15.999 > 28 *29 O 0.83204276874107 0.33258393357736 0.59608411748490 15.999 > 29 30 O 0.16795723125893 0.83258393357736 0.40391588251510 15.999 > 30 31 O 0.16795723125893 0.66741606642264 0.40391588251510 15.999 > 31 32 O 0.83204276874107 0.16741606642264 0.59608411748490 15.999 > 32 *33 Ba 0.16683215401955 0.08811000815211 0.30382521217185 137.327 > 33 34 Ba 0.83316784598045 0.58811000815211 0.69617478782815 137.327 > 34 35 Ba 0.83316784598045 0.91188999184789 0.69617478782815 137.327 > 35 36 Ba 0.16683215401955 0.41188999184789 0.30382521217185 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.847038300000037 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -3.234646939737376 0.000000000000000 12.944051700192325 Atomic positions (fractional): *1 Li 0.25455514228067 0.25000000000000 0.01204373109234 6.941 > 1 2 Li 0.75455514228067 0.25000000000000 0.01204373109234 6.941 > 1 3 Li 0.25455514228067 0.25000000000000 0.51204373109234 6.941 > 1 4 Li 0.75455514228067 0.25000000000000 0.51204373109234 6.941 > 1 5 Li 0.24544485771933 0.75000000000000 0.48795626890766 6.941 > 2 6 Li 0.74544485771933 0.75000000000000 0.48795626890766 6.941 > 2 7 Li 0.24544485771933 0.75000000000000 0.98795626890766 6.941 > 2 8 Li 0.74544485771933 0.75000000000000 0.98795626890766 6.941 > 2 *9 B 0.03028902435753 0.83656899862677 0.08783896873566 10.811 > 3 10 B 0.53028902435753 0.83656899862677 0.08783896873566 10.811 > 3 11 B 0.03028902435753 0.83656899862677 0.58783896873566 10.811 > 3 12 B 0.53028902435753 0.83656899862677 0.58783896873566 10.811 > 3 13 B 0.46971097564247 0.33656899862677 0.41216103126434 10.811 > 4 14 B 0.96971097564247 0.33656899862677 0.41216103126434 10.811 > 4 15 B 0.46971097564247 0.33656899862677 0.91216103126434 10.811 > 4 16 B 0.96971097564247 0.33656899862677 0.91216103126434 10.811 > 4 17 B 0.46971097564247 0.16343100137323 0.41216103126434 10.811 > 5 18 B 0.96971097564247 0.16343100137323 0.41216103126434 10.811 > 5 19 B 0.46971097564247 0.16343100137323 0.91216103126434 10.811 > 5 20 B 0.96971097564247 0.16343100137323 0.91216103126434 10.811 > 5 21 B 0.03028902435753 0.66343100137323 0.08783896873566 10.811 > 6 22 B 0.53028902435753 0.66343100137323 0.08783896873566 10.811 > 6 23 B 0.03028902435753 0.66343100137323 0.58783896873566 10.811 > 6 24 B 0.53028902435753 0.66343100137323 0.58783896873566 10.811 > 6 *25 B 0.36365020813452 0.25000000000000 0.24863086448206 10.811 > 7 26 B 0.86365020813452 0.25000000000000 0.24863086448206 10.811 > 7 27 B 0.36365020813452 0.25000000000000 0.74863086448206 10.811 > 7 28 B 0.86365020813452 0.25000000000000 0.74863086448206 10.811 > 7 29 B 0.13634979186548 0.75000000000000 0.25136913551794 10.811 > 8 30 B 0.63634979186548 0.75000000000000 0.25136913551794 10.811 > 8 31 B 0.13634979186548 0.75000000000000 0.75136913551794 10.811 > 8 32 B 0.63634979186548 0.75000000000000 0.75136913551794 10.811 > 8 *33 B 0.22560048878588 0.07915112754634 0.41130907641540 10.811 > 9 34 B 0.72560048878588 0.07915112754634 0.41130907641540 10.811 > 9 35 B 0.22560048878588 0.07915112754634 0.91130907641540 10.811 > 9 36 B 0.72560048878588 0.07915112754634 0.91130907641540 10.811 > 9 37 B 0.27439951121412 0.57915112754634 0.08869092358460 10.811 > 10 38 B 0.77439951121412 0.57915112754634 0.08869092358460 10.811 > 10 39 B 0.27439951121412 0.57915112754634 0.58869092358460 10.811 > 10 40 B 0.77439951121412 0.57915112754634 0.58869092358460 10.811 > 10 41 B 0.27439951121412 0.92084887245366 0.08869092358460 10.811 > 11 42 B 0.77439951121412 0.92084887245366 0.08869092358460 10.811 > 11 43 B 0.27439951121412 0.92084887245366 0.58869092358460 10.811 > 11 44 B 0.77439951121412 0.92084887245366 0.58869092358460 10.811 > 11 45 B 0.22560048878588 0.42084887245366 0.41130907641540 10.811 > 12 46 B 0.72560048878588 0.42084887245366 0.41130907641540 10.811 > 12 47 B 0.22560048878588 0.42084887245366 0.91130907641540 10.811 > 12 48 B 0.72560048878588 0.42084887245366 0.91130907641540 10.811 > 12 *49 O 0.38885681209276 0.08627563876412 0.44937749223726 15.999 > 13 50 O 0.88885681209276 0.08627563876412 0.44937749223726 15.999 > 13 51 O 0.38885681209276 0.08627563876412 0.94937749223726 15.999 > 13 52 O 0.88885681209276 0.08627563876412 0.94937749223726 15.999 > 13 53 O 0.11114318790724 0.58627563876412 0.05062250776274 15.999 > 14 54 O 0.61114318790724 0.58627563876412 0.05062250776274 15.999 > 14 55 O 0.11114318790724 0.58627563876412 0.55062250776274 15.999 > 14 56 O 0.61114318790724 0.58627563876412 0.55062250776274 15.999 > 14 57 O 0.11114318790724 0.91372436123588 0.05062250776274 15.999 > 15 58 O 0.61114318790724 0.91372436123588 0.05062250776274 15.999 > 15 59 O 0.11114318790724 0.91372436123588 0.55062250776274 15.999 > 15 60 O 0.61114318790724 0.91372436123588 0.55062250776274 15.999 > 15 61 O 0.38885681209276 0.41372436123588 0.44937749223726 15.999 > 16 62 O 0.88885681209276 0.41372436123588 0.44937749223726 15.999 > 16 63 O 0.38885681209276 0.41372436123588 0.94937749223726 15.999 > 16 64 O 0.88885681209276 0.41372436123588 0.94937749223726 15.999 > 16 *65 O 0.43790760950081 0.25000000000000 0.45897440605280 15.999 > 17 66 O 0.93790760950081 0.25000000000000 0.45897440605280 15.999 > 17 67 O 0.43790760950081 0.25000000000000 0.95897440605280 15.999 > 17 68 O 0.93790760950081 0.25000000000000 0.95897440605280 15.999 > 17 69 O 0.06209239049919 0.75000000000000 0.04102559394720 15.999 > 18 70 O 0.56209239049919 0.75000000000000 0.04102559394720 15.999 > 18 71 O 0.06209239049919 0.75000000000000 0.54102559394720 15.999 > 18 72 O 0.56209239049919 0.75000000000000 0.54102559394720 15.999 > 18 *73 O 0.26737333116737 0.25000000000000 0.15354755781810 15.999 > 19 74 O 0.76737333116737 0.25000000000000 0.15354755781810 15.999 > 19 75 O 0.26737333116737 0.25000000000000 0.65354755781810 15.999 > 19 76 O 0.76737333116737 0.25000000000000 0.65354755781810 15.999 > 19 77 O 0.23262666883263 0.75000000000000 0.34645244218190 15.999 > 20 78 O 0.73262666883263 0.75000000000000 0.34645244218190 15.999 > 20 79 O 0.23262666883263 0.75000000000000 0.84645244218190 15.999 > 20 80 O 0.73262666883263 0.75000000000000 0.84645244218190 15.999 > 20 *81 O 0.16441022648941 0.48759763162979 0.34459096886825 15.999 > 21 82 O 0.66441022648941 0.48759763162979 0.34459096886825 15.999 > 21 83 O 0.16441022648941 0.48759763162979 0.84459096886825 15.999 > 21 84 O 0.66441022648941 0.48759763162979 0.84459096886825 15.999 > 21 85 O 0.33558977351059 0.98759763162979 0.15540903113175 15.999 > 22 86 O 0.83558977351059 0.98759763162979 0.15540903113175 15.999 > 22 87 O 0.33558977351059 0.98759763162979 0.65540903113175 15.999 > 22 88 O 0.83558977351059 0.98759763162979 0.65540903113175 15.999 > 22 89 O 0.33558977351059 0.51240236837021 0.15540903113175 15.999 > 23 90 O 0.83558977351059 0.51240236837021 0.15540903113175 15.999 > 23 91 O 0.33558977351059 0.51240236837021 0.65540903113175 15.999 > 23 92 O 0.83558977351059 0.51240236837021 0.65540903113175 15.999 > 23 93 O 0.16441022648941 0.01240236837021 0.34459096886825 15.999 > 24 94 O 0.66441022648941 0.01240236837021 0.34459096886825 15.999 > 24 95 O 0.16441022648941 0.01240236837021 0.84459096886825 15.999 > 24 96 O 0.66441022648941 0.01240236837021 0.84459096886825 15.999 > 24 *97 O 0.13933501066173 0.35478975889349 0.44793369869824 15.999 > 25 98 O 0.63933501066173 0.35478975889349 0.44793369869824 15.999 > 25 99 O 0.13933501066173 0.35478975889349 0.94793369869824 15.999 > 25 100 O 0.63933501066173 0.35478975889349 0.94793369869824 15.999 > 25 101 O 0.36066498933827 0.85478975889349 0.05206630130176 15.999 > 26 102 O 0.86066498933827 0.85478975889349 0.05206630130176 15.999 > 26 103 O 0.36066498933827 0.85478975889349 0.55206630130176 15.999 > 26 104 O 0.86066498933827 0.85478975889349 0.55206630130176 15.999 > 26 105 O 0.36066498933827 0.64521024110651 0.05206630130176 15.999 > 27 106 O 0.86066498933827 0.64521024110651 0.05206630130176 15.999 > 27 107 O 0.36066498933827 0.64521024110651 0.55206630130176 15.999 > 27 108 O 0.86066498933827 0.64521024110651 0.55206630130176 15.999 > 27 109 O 0.13933501066173 0.14521024110651 0.44793369869824 15.999 > 28 110 O 0.63933501066173 0.14521024110651 0.44793369869824 15.999 > 28 111 O 0.13933501066173 0.14521024110651 0.94793369869824 15.999 > 28 112 O 0.63933501066173 0.14521024110651 0.94793369869824 15.999 > 28 *113 O 0.41602138437053 0.33258393357736 0.29804205874245 15.999 > 29 114 O 0.91602138437053 0.33258393357736 0.29804205874245 15.999 > 29 115 O 0.41602138437053 0.33258393357736 0.79804205874245 15.999 > 29 116 O 0.91602138437053 0.33258393357736 0.79804205874245 15.999 > 29 117 O 0.08397861562947 0.83258393357736 0.20195794125755 15.999 > 30 118 O 0.58397861562947 0.83258393357736 0.20195794125755 15.999 > 30 119 O 0.08397861562947 0.83258393357736 0.70195794125755 15.999 > 30 120 O 0.58397861562947 0.83258393357736 0.70195794125755 15.999 > 30 121 O 0.08397861562947 0.66741606642264 0.20195794125755 15.999 > 31 122 O 0.58397861562947 0.66741606642264 0.20195794125755 15.999 > 31 123 O 0.08397861562947 0.66741606642264 0.70195794125755 15.999 > 31 124 O 0.58397861562947 0.66741606642264 0.70195794125755 15.999 > 31 125 O 0.41602138437053 0.16741606642264 0.29804205874245 15.999 > 32 126 O 0.91602138437053 0.16741606642264 0.29804205874245 15.999 > 32 127 O 0.41602138437053 0.16741606642264 0.79804205874245 15.999 > 32 128 O 0.91602138437053 0.16741606642264 0.79804205874245 15.999 > 32 *129 Ba 0.08341607700978 0.08811000815211 0.15191260608592 137.327 > 33 130 Ba 0.58341607700978 0.08811000815211 0.15191260608592 137.327 > 33 131 Ba 0.08341607700978 0.08811000815211 0.65191260608592 137.327 > 33 132 Ba 0.58341607700978 0.08811000815211 0.65191260608592 137.327 > 33 133 Ba 0.41658392299022 0.58811000815211 0.34808739391408 137.327 > 34 134 Ba 0.91658392299022 0.58811000815211 0.34808739391408 137.327 > 34 135 Ba 0.41658392299022 0.58811000815211 0.84808739391408 137.327 > 34 136 Ba 0.91658392299022 0.58811000815211 0.84808739391408 137.327 > 34 137 Ba 0.41658392299022 0.91188999184789 0.34808739391408 137.327 > 35 138 Ba 0.91658392299022 0.91188999184789 0.34808739391408 137.327 > 35 139 Ba 0.41658392299022 0.91188999184789 0.84808739391408 137.327 > 35 140 Ba 0.91658392299022 0.91188999184789 0.84808739391408 137.327 > 35 141 Ba 0.08341607700978 0.41188999184789 0.15191260608592 137.327 > 36 142 Ba 0.58341607700978 0.41188999184789 0.15191260608592 137.327 > 36 143 Ba 0.08341607700978 0.41188999184789 0.65191260608592 137.327 > 36 144 Ba 0.58341607700978 0.41188999184789 0.65191260608592 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9920476 0.0000000 0.0712225 0.0000000 3.0049549 0.0000000 0.0712236 0.0000000 2.9532688 -------------------------- Born effective charges -------------------------- 1 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 2 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 3 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 4 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 5 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 6 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 7 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 8 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 9 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 10 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 11 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 12 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 13 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 14 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 15 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 16 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 17 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 18 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 19 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 20 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 21 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 22 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 23 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 24 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 25 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 26 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 27 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 28 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 29 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 30 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 31 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 32 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 33 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 34 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 35 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 36 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 ---------------------------------------------------------------------------- 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: 6080 Number of blocks in projector: 6080 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: 1360 Use submatrix version of eigh solver. (1) Block: 500 / 1360 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1360 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1360 / 1360 (1) 349 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (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: 1232 / 1232 (1) 221 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (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: 1232 / 1232 (1) 221 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6080, 5998), data: False |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1232, 1218), data: False |-- (1232, 25), data: (1232, 39) @ (39, 25) |-- (232, 221), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1232, 1218), data: False |-- (1232, 25), data: (1232, 39) @ (39, 25) |-- (232, 221), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1360, 1339), data: False |-- (1360, 28), data: (1360, 49) @ (49, 28) |-- (360, 349), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.794 Solver_block: 200 / 1120 - Time: 3.246 Solver_block: 300 / 1120 - Time: 3.827 Solver_block: 400 / 1120 - Time: 3.562 Solver_block: 500 / 1120 - Time: 3.438 Solver_block: 600 / 1120 - Time: 3.418 Solver_block: 700 / 1120 - Time: 3.620 Solver_block: 800 / 1120 - Time: 3.619 Solver_block: 900 / 1120 - Time: 3.458 Solver_block: 1000 / 1120 - Time: 3.381 Solver_block: 1100 / 1120 - Time: 2.975 Solver_block: 1120 / 1120 - Time: 0.785 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.099 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6080 Number of blocks in projector: 6080 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: 1360 Use submatrix version of eigh solver. (1) Block: 500 / 1360 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1360 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1360 / 1360 (1) 349 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (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: 1232 / 1232 (1) 221 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (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: 1232 / 1232 (1) 221 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 752 Use submatrix version of eigh solver. (1) Block: 500 / 752 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 752 / 752 (1) 243 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6080, 5998), data: False |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (752, 741), data: False |-- (752, 9), data: (752, 20) @ (20, 9) |-- (252, 243), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1232, 1218), data: False |-- (1232, 25), data: (1232, 39) @ (39, 25) |-- (232, 221), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1232, 1218), data: False |-- (1232, 25), data: (1232, 39) @ (39, 25) |-- (232, 221), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1360, 1339), data: False |-- (1360, 28), data: (1360, 49) @ (49, 28) |-- (360, 349), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:13:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:13:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.423519150000018 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -1.617323469868688 0.000000000000000 6.472025850096163 Atomic positions (fractional): 1 Li 0.50911028456133 0.25000000000000 0.02408746218468 6.941 2 Li 0.49088971543867 0.75000000000000 0.97591253781532 6.941 3 B 0.06057804871506 0.83656899862677 0.17567793747132 10.811 4 B 0.93942195128494 0.33656899862677 0.82432206252868 10.811 5 B 0.93942195128494 0.16343100137323 0.82432206252868 10.811 6 B 0.06057804871506 0.66343100137323 0.17567793747132 10.811 7 B 0.72730041626905 0.25000000000000 0.49726172896413 10.811 8 B 0.27269958373095 0.75000000000000 0.50273827103587 10.811 9 B 0.45120097757177 0.07915112754634 0.82261815283080 10.811 10 B 0.54879902242823 0.57915112754634 0.17738184716920 10.811 11 B 0.54879902242823 0.92084887245366 0.17738184716920 10.811 12 B 0.45120097757177 0.42084887245366 0.82261815283080 10.811 13 O 0.77771362418552 0.08627563876412 0.89875498447452 15.999 14 O 0.22228637581448 0.58627563876412 0.10124501552548 15.999 15 O 0.22228637581448 0.91372436123588 0.10124501552548 15.999 16 O 0.77771362418552 0.41372436123588 0.89875498447452 15.999 17 O 0.87581521900162 0.25000000000000 0.91794881210559 15.999 18 O 0.12418478099838 0.75000000000000 0.08205118789441 15.999 19 O 0.53474666233475 0.25000000000000 0.30709511563620 15.999 20 O 0.46525333766525 0.75000000000000 0.69290488436381 15.999 21 O 0.32882045297882 0.48759763162979 0.68918193773650 15.999 22 O 0.67117954702118 0.98759763162979 0.31081806226350 15.999 23 O 0.67117954702118 0.51240236837021 0.31081806226350 15.999 24 O 0.32882045297882 0.01240236837021 0.68918193773650 15.999 25 O 0.27867002132347 0.35478975889349 0.89586739739648 15.999 26 O 0.72132997867653 0.85478975889349 0.10413260260352 15.999 27 O 0.72132997867653 0.64521024110651 0.10413260260352 15.999 28 O 0.27867002132347 0.14521024110651 0.89586739739648 15.999 29 O 0.83204276874107 0.33258393357736 0.59608411748490 15.999 30 O 0.16795723125893 0.83258393357736 0.40391588251510 15.999 31 O 0.16795723125893 0.66741606642264 0.40391588251510 15.999 32 O 0.83204276874107 0.16741606642264 0.59608411748490 15.999 33 Ba 0.16683215401955 0.08811000815211 0.30382521217185 137.327 34 Ba 0.83316784598045 0.58811000815211 0.69617478782815 137.327 35 Ba 0.83316784598045 0.91188999184789 0.69617478782815 137.327 36 Ba 0.16683215401955 0.41188999184789 0.30382521217185 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.847038300000037 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -3.234646939737376 0.000000000000000 12.944051700192325 Atomic positions (fractional): 1 Li 0.25455514228067 0.25000000000000 0.01204373109234 6.941 > 1 2 Li 0.75455514228067 0.25000000000000 0.01204373109234 6.941 > 1 3 Li 0.25455514228067 0.25000000000000 0.51204373109234 6.941 > 1 4 Li 0.75455514228067 0.25000000000000 0.51204373109234 6.941 > 1 5 Li 0.24544485771933 0.75000000000000 0.48795626890766 6.941 > 5 6 Li 0.74544485771933 0.75000000000000 0.48795626890766 6.941 > 5 7 Li 0.24544485771933 0.75000000000000 0.98795626890766 6.941 > 5 8 Li 0.74544485771933 0.75000000000000 0.98795626890766 6.941 > 5 9 B 0.03028902435753 0.83656899862677 0.08783896873566 10.811 > 9 10 B 0.53028902435753 0.83656899862677 0.08783896873566 10.811 > 9 11 B 0.03028902435753 0.83656899862677 0.58783896873566 10.811 > 9 12 B 0.53028902435753 0.83656899862677 0.58783896873566 10.811 > 9 13 B 0.46971097564247 0.33656899862677 0.41216103126434 10.811 > 13 14 B 0.96971097564247 0.33656899862677 0.41216103126434 10.811 > 13 15 B 0.46971097564247 0.33656899862677 0.91216103126434 10.811 > 13 16 B 0.96971097564247 0.33656899862677 0.91216103126434 10.811 > 13 17 B 0.46971097564247 0.16343100137323 0.41216103126434 10.811 > 17 18 B 0.96971097564247 0.16343100137323 0.41216103126434 10.811 > 17 19 B 0.46971097564247 0.16343100137323 0.91216103126434 10.811 > 17 20 B 0.96971097564247 0.16343100137323 0.91216103126434 10.811 > 17 21 B 0.03028902435753 0.66343100137323 0.08783896873566 10.811 > 21 22 B 0.53028902435753 0.66343100137323 0.08783896873566 10.811 > 21 23 B 0.03028902435753 0.66343100137323 0.58783896873566 10.811 > 21 24 B 0.53028902435753 0.66343100137323 0.58783896873566 10.811 > 21 25 B 0.36365020813452 0.25000000000000 0.24863086448206 10.811 > 25 26 B 0.86365020813452 0.25000000000000 0.24863086448206 10.811 > 25 27 B 0.36365020813452 0.25000000000000 0.74863086448206 10.811 > 25 28 B 0.86365020813452 0.25000000000000 0.74863086448206 10.811 > 25 29 B 0.13634979186548 0.75000000000000 0.25136913551794 10.811 > 29 30 B 0.63634979186548 0.75000000000000 0.25136913551794 10.811 > 29 31 B 0.13634979186548 0.75000000000000 0.75136913551794 10.811 > 29 32 B 0.63634979186548 0.75000000000000 0.75136913551794 10.811 > 29 33 B 0.22560048878588 0.07915112754634 0.41130907641540 10.811 > 33 34 B 0.72560048878588 0.07915112754634 0.41130907641540 10.811 > 33 35 B 0.22560048878588 0.07915112754634 0.91130907641540 10.811 > 33 36 B 0.72560048878588 0.07915112754634 0.91130907641540 10.811 > 33 37 B 0.27439951121412 0.57915112754634 0.08869092358460 10.811 > 37 38 B 0.77439951121412 0.57915112754634 0.08869092358460 10.811 > 37 39 B 0.27439951121412 0.57915112754634 0.58869092358460 10.811 > 37 40 B 0.77439951121412 0.57915112754634 0.58869092358460 10.811 > 37 41 B 0.27439951121412 0.92084887245366 0.08869092358460 10.811 > 41 42 B 0.77439951121412 0.92084887245366 0.08869092358460 10.811 > 41 43 B 0.27439951121412 0.92084887245366 0.58869092358460 10.811 > 41 44 B 0.77439951121412 0.92084887245366 0.58869092358460 10.811 > 41 45 B 0.22560048878588 0.42084887245366 0.41130907641540 10.811 > 45 46 B 0.72560048878588 0.42084887245366 0.41130907641540 10.811 > 45 47 B 0.22560048878588 0.42084887245366 0.91130907641540 10.811 > 45 48 B 0.72560048878588 0.42084887245366 0.91130907641540 10.811 > 45 49 O 0.38885681209276 0.08627563876412 0.44937749223726 15.999 > 49 50 O 0.88885681209276 0.08627563876412 0.44937749223726 15.999 > 49 51 O 0.38885681209276 0.08627563876412 0.94937749223726 15.999 > 49 52 O 0.88885681209276 0.08627563876412 0.94937749223726 15.999 > 49 53 O 0.11114318790724 0.58627563876412 0.05062250776274 15.999 > 53 54 O 0.61114318790724 0.58627563876412 0.05062250776274 15.999 > 53 55 O 0.11114318790724 0.58627563876412 0.55062250776274 15.999 > 53 56 O 0.61114318790724 0.58627563876412 0.55062250776274 15.999 > 53 57 O 0.11114318790724 0.91372436123588 0.05062250776274 15.999 > 57 58 O 0.61114318790724 0.91372436123588 0.05062250776274 15.999 > 57 59 O 0.11114318790724 0.91372436123588 0.55062250776274 15.999 > 57 60 O 0.61114318790724 0.91372436123588 0.55062250776274 15.999 > 57 61 O 0.38885681209276 0.41372436123588 0.44937749223726 15.999 > 61 62 O 0.88885681209276 0.41372436123588 0.44937749223726 15.999 > 61 63 O 0.38885681209276 0.41372436123588 0.94937749223726 15.999 > 61 64 O 0.88885681209276 0.41372436123588 0.94937749223726 15.999 > 61 65 O 0.43790760950081 0.25000000000000 0.45897440605280 15.999 > 65 66 O 0.93790760950081 0.25000000000000 0.45897440605280 15.999 > 65 67 O 0.43790760950081 0.25000000000000 0.95897440605280 15.999 > 65 68 O 0.93790760950081 0.25000000000000 0.95897440605280 15.999 > 65 69 O 0.06209239049919 0.75000000000000 0.04102559394720 15.999 > 69 70 O 0.56209239049919 0.75000000000000 0.04102559394720 15.999 > 69 71 O 0.06209239049919 0.75000000000000 0.54102559394720 15.999 > 69 72 O 0.56209239049919 0.75000000000000 0.54102559394720 15.999 > 69 73 O 0.26737333116737 0.25000000000000 0.15354755781810 15.999 > 73 74 O 0.76737333116737 0.25000000000000 0.15354755781810 15.999 > 73 75 O 0.26737333116737 0.25000000000000 0.65354755781810 15.999 > 73 76 O 0.76737333116737 0.25000000000000 0.65354755781810 15.999 > 73 77 O 0.23262666883263 0.75000000000000 0.34645244218190 15.999 > 77 78 O 0.73262666883263 0.75000000000000 0.34645244218190 15.999 > 77 79 O 0.23262666883263 0.75000000000000 0.84645244218190 15.999 > 77 80 O 0.73262666883263 0.75000000000000 0.84645244218190 15.999 > 77 81 O 0.16441022648941 0.48759763162979 0.34459096886825 15.999 > 81 82 O 0.66441022648941 0.48759763162979 0.34459096886825 15.999 > 81 83 O 0.16441022648941 0.48759763162979 0.84459096886825 15.999 > 81 84 O 0.66441022648941 0.48759763162979 0.84459096886825 15.999 > 81 85 O 0.33558977351059 0.98759763162979 0.15540903113175 15.999 > 85 86 O 0.83558977351059 0.98759763162979 0.15540903113175 15.999 > 85 87 O 0.33558977351059 0.98759763162979 0.65540903113175 15.999 > 85 88 O 0.83558977351059 0.98759763162979 0.65540903113175 15.999 > 85 89 O 0.33558977351059 0.51240236837021 0.15540903113175 15.999 > 89 90 O 0.83558977351059 0.51240236837021 0.15540903113175 15.999 > 89 91 O 0.33558977351059 0.51240236837021 0.65540903113175 15.999 > 89 92 O 0.83558977351059 0.51240236837021 0.65540903113175 15.999 > 89 93 O 0.16441022648941 0.01240236837021 0.34459096886825 15.999 > 93 94 O 0.66441022648941 0.01240236837021 0.34459096886825 15.999 > 93 95 O 0.16441022648941 0.01240236837021 0.84459096886825 15.999 > 93 96 O 0.66441022648941 0.01240236837021 0.84459096886825 15.999 > 93 97 O 0.13933501066173 0.35478975889349 0.44793369869824 15.999 > 97 98 O 0.63933501066173 0.35478975889349 0.44793369869824 15.999 > 97 99 O 0.13933501066173 0.35478975889349 0.94793369869824 15.999 > 97 100 O 0.63933501066173 0.35478975889349 0.94793369869824 15.999 > 97 101 O 0.36066498933827 0.85478975889349 0.05206630130176 15.999 > 101 102 O 0.86066498933827 0.85478975889349 0.05206630130176 15.999 > 101 103 O 0.36066498933827 0.85478975889349 0.55206630130176 15.999 > 101 104 O 0.86066498933827 0.85478975889349 0.55206630130176 15.999 > 101 105 O 0.36066498933827 0.64521024110651 0.05206630130176 15.999 > 105 106 O 0.86066498933827 0.64521024110651 0.05206630130176 15.999 > 105 107 O 0.36066498933827 0.64521024110651 0.55206630130176 15.999 > 105 108 O 0.86066498933827 0.64521024110651 0.55206630130176 15.999 > 105 109 O 0.13933501066173 0.14521024110651 0.44793369869824 15.999 > 109 110 O 0.63933501066173 0.14521024110651 0.44793369869824 15.999 > 109 111 O 0.13933501066173 0.14521024110651 0.94793369869824 15.999 > 109 112 O 0.63933501066173 0.14521024110651 0.94793369869824 15.999 > 109 113 O 0.41602138437053 0.33258393357736 0.29804205874245 15.999 > 113 114 O 0.91602138437053 0.33258393357736 0.29804205874245 15.999 > 113 115 O 0.41602138437053 0.33258393357736 0.79804205874245 15.999 > 113 116 O 0.91602138437053 0.33258393357736 0.79804205874245 15.999 > 113 117 O 0.08397861562947 0.83258393357736 0.20195794125755 15.999 > 117 118 O 0.58397861562947 0.83258393357736 0.20195794125755 15.999 > 117 119 O 0.08397861562947 0.83258393357736 0.70195794125755 15.999 > 117 120 O 0.58397861562947 0.83258393357736 0.70195794125755 15.999 > 117 121 O 0.08397861562947 0.66741606642264 0.20195794125755 15.999 > 121 122 O 0.58397861562947 0.66741606642264 0.20195794125755 15.999 > 121 123 O 0.08397861562947 0.66741606642264 0.70195794125755 15.999 > 121 124 O 0.58397861562947 0.66741606642264 0.70195794125755 15.999 > 121 125 O 0.41602138437053 0.16741606642264 0.29804205874245 15.999 > 125 126 O 0.91602138437053 0.16741606642264 0.29804205874245 15.999 > 125 127 O 0.41602138437053 0.16741606642264 0.79804205874245 15.999 > 125 128 O 0.91602138437053 0.16741606642264 0.79804205874245 15.999 > 125 129 Ba 0.08341607700978 0.08811000815211 0.15191260608592 137.327 > 129 130 Ba 0.58341607700978 0.08811000815211 0.15191260608592 137.327 > 129 131 Ba 0.08341607700978 0.08811000815211 0.65191260608592 137.327 > 129 132 Ba 0.58341607700978 0.08811000815211 0.65191260608592 137.327 > 129 133 Ba 0.41658392299022 0.58811000815211 0.34808739391408 137.327 > 133 134 Ba 0.91658392299022 0.58811000815211 0.34808739391408 137.327 > 133 135 Ba 0.41658392299022 0.58811000815211 0.84808739391408 137.327 > 133 136 Ba 0.91658392299022 0.58811000815211 0.84808739391408 137.327 > 133 137 Ba 0.41658392299022 0.91188999184789 0.34808739391408 137.327 > 137 138 Ba 0.91658392299022 0.91188999184789 0.34808739391408 137.327 > 137 139 Ba 0.41658392299022 0.91188999184789 0.84808739391408 137.327 > 137 140 Ba 0.91658392299022 0.91188999184789 0.84808739391408 137.327 > 137 141 Ba 0.08341607700978 0.41188999184789 0.15191260608592 137.327 > 141 142 Ba 0.58341607700978 0.41188999184789 0.15191260608592 137.327 > 141 143 Ba 0.08341607700978 0.41188999184789 0.65191260608592 137.327 > 141 144 Ba 0.58341607700978 0.41188999184789 0.65191260608592 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9920476 0.0000000 0.0712225 0.0000000 3.0049549 0.0000000 0.0712236 0.0000000 2.9532688 -------------------------- Born effective charges -------------------------- 1 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 2 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 3 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 4 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 5 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 6 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 7 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 8 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 9 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 10 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 11 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 12 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 13 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 14 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 15 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 16 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 17 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 18 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 19 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 20 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 21 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 22 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 23 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 24 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 25 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 26 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 27 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 28 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 29 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 30 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 31 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 32 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 33 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 34 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 35 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 36 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 ---------------------------------------------------------------------------- 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 9, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000020 (xxx) -0.00000020 (xxx) -0.00000020 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000016 (zx) 0.00000016 (zx) 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 2026-01-07 21:14:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.423519150000018 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -1.617323469868688 0.000000000000000 6.472025850096163 Atomic positions (fractional): 1 Li 0.50911028456133 0.25000000000000 0.02408746218468 6.941 2 Li 0.49088971543867 0.75000000000000 0.97591253781532 6.941 3 B 0.06057804871506 0.83656899862677 0.17567793747132 10.811 4 B 0.93942195128494 0.33656899862677 0.82432206252868 10.811 5 B 0.93942195128494 0.16343100137323 0.82432206252868 10.811 6 B 0.06057804871506 0.66343100137323 0.17567793747132 10.811 7 B 0.72730041626905 0.25000000000000 0.49726172896413 10.811 8 B 0.27269958373095 0.75000000000000 0.50273827103587 10.811 9 B 0.45120097757177 0.07915112754634 0.82261815283080 10.811 10 B 0.54879902242823 0.57915112754634 0.17738184716920 10.811 11 B 0.54879902242823 0.92084887245366 0.17738184716920 10.811 12 B 0.45120097757177 0.42084887245366 0.82261815283080 10.811 13 O 0.77771362418552 0.08627563876412 0.89875498447452 15.999 14 O 0.22228637581448 0.58627563876412 0.10124501552548 15.999 15 O 0.22228637581448 0.91372436123588 0.10124501552548 15.999 16 O 0.77771362418552 0.41372436123588 0.89875498447452 15.999 17 O 0.87581521900162 0.25000000000000 0.91794881210559 15.999 18 O 0.12418478099838 0.75000000000000 0.08205118789441 15.999 19 O 0.53474666233475 0.25000000000000 0.30709511563620 15.999 20 O 0.46525333766525 0.75000000000000 0.69290488436381 15.999 21 O 0.32882045297882 0.48759763162979 0.68918193773650 15.999 22 O 0.67117954702118 0.98759763162979 0.31081806226350 15.999 23 O 0.67117954702118 0.51240236837021 0.31081806226350 15.999 24 O 0.32882045297882 0.01240236837021 0.68918193773650 15.999 25 O 0.27867002132347 0.35478975889349 0.89586739739648 15.999 26 O 0.72132997867653 0.85478975889349 0.10413260260352 15.999 27 O 0.72132997867653 0.64521024110651 0.10413260260352 15.999 28 O 0.27867002132347 0.14521024110651 0.89586739739648 15.999 29 O 0.83204276874107 0.33258393357736 0.59608411748490 15.999 30 O 0.16795723125893 0.83258393357736 0.40391588251510 15.999 31 O 0.16795723125893 0.66741606642264 0.40391588251510 15.999 32 O 0.83204276874107 0.16741606642264 0.59608411748490 15.999 33 Ba 0.16683215401955 0.08811000815211 0.30382521217185 137.327 34 Ba 0.83316784598045 0.58811000815211 0.69617478782815 137.327 35 Ba 0.83316784598045 0.91188999184789 0.69617478782815 137.327 36 Ba 0.16683215401955 0.41188999184789 0.30382521217185 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.847038300000037 0.000000000000000 0.000000000000000 b 0.000000000000000 14.577811499999999 0.000000000000000 c -3.234646939737376 0.000000000000000 12.944051700192325 Atomic positions (fractional): 1 Li 0.25455514228067 0.25000000000000 0.01204373109234 6.941 > 1 2 Li 0.75455514228067 0.25000000000000 0.01204373109234 6.941 > 1 3 Li 0.25455514228067 0.25000000000000 0.51204373109234 6.941 > 1 4 Li 0.75455514228067 0.25000000000000 0.51204373109234 6.941 > 1 5 Li 0.24544485771933 0.75000000000000 0.48795626890766 6.941 > 5 6 Li 0.74544485771933 0.75000000000000 0.48795626890766 6.941 > 5 7 Li 0.24544485771933 0.75000000000000 0.98795626890766 6.941 > 5 8 Li 0.74544485771933 0.75000000000000 0.98795626890766 6.941 > 5 9 B 0.03028902435753 0.83656899862677 0.08783896873566 10.811 > 9 10 B 0.53028902435753 0.83656899862677 0.08783896873566 10.811 > 9 11 B 0.03028902435753 0.83656899862677 0.58783896873566 10.811 > 9 12 B 0.53028902435753 0.83656899862677 0.58783896873566 10.811 > 9 13 B 0.46971097564247 0.33656899862677 0.41216103126434 10.811 > 13 14 B 0.96971097564247 0.33656899862677 0.41216103126434 10.811 > 13 15 B 0.46971097564247 0.33656899862677 0.91216103126434 10.811 > 13 16 B 0.96971097564247 0.33656899862677 0.91216103126434 10.811 > 13 17 B 0.46971097564247 0.16343100137323 0.41216103126434 10.811 > 17 18 B 0.96971097564247 0.16343100137323 0.41216103126434 10.811 > 17 19 B 0.46971097564247 0.16343100137323 0.91216103126434 10.811 > 17 20 B 0.96971097564247 0.16343100137323 0.91216103126434 10.811 > 17 21 B 0.03028902435753 0.66343100137323 0.08783896873566 10.811 > 21 22 B 0.53028902435753 0.66343100137323 0.08783896873566 10.811 > 21 23 B 0.03028902435753 0.66343100137323 0.58783896873566 10.811 > 21 24 B 0.53028902435753 0.66343100137323 0.58783896873566 10.811 > 21 25 B 0.36365020813452 0.25000000000000 0.24863086448206 10.811 > 25 26 B 0.86365020813452 0.25000000000000 0.24863086448206 10.811 > 25 27 B 0.36365020813452 0.25000000000000 0.74863086448206 10.811 > 25 28 B 0.86365020813452 0.25000000000000 0.74863086448206 10.811 > 25 29 B 0.13634979186548 0.75000000000000 0.25136913551794 10.811 > 29 30 B 0.63634979186548 0.75000000000000 0.25136913551794 10.811 > 29 31 B 0.13634979186548 0.75000000000000 0.75136913551794 10.811 > 29 32 B 0.63634979186548 0.75000000000000 0.75136913551794 10.811 > 29 33 B 0.22560048878588 0.07915112754634 0.41130907641540 10.811 > 33 34 B 0.72560048878588 0.07915112754634 0.41130907641540 10.811 > 33 35 B 0.22560048878588 0.07915112754634 0.91130907641540 10.811 > 33 36 B 0.72560048878588 0.07915112754634 0.91130907641540 10.811 > 33 37 B 0.27439951121412 0.57915112754634 0.08869092358460 10.811 > 37 38 B 0.77439951121412 0.57915112754634 0.08869092358460 10.811 > 37 39 B 0.27439951121412 0.57915112754634 0.58869092358460 10.811 > 37 40 B 0.77439951121412 0.57915112754634 0.58869092358460 10.811 > 37 41 B 0.27439951121412 0.92084887245366 0.08869092358460 10.811 > 41 42 B 0.77439951121412 0.92084887245366 0.08869092358460 10.811 > 41 43 B 0.27439951121412 0.92084887245366 0.58869092358460 10.811 > 41 44 B 0.77439951121412 0.92084887245366 0.58869092358460 10.811 > 41 45 B 0.22560048878588 0.42084887245366 0.41130907641540 10.811 > 45 46 B 0.72560048878588 0.42084887245366 0.41130907641540 10.811 > 45 47 B 0.22560048878588 0.42084887245366 0.91130907641540 10.811 > 45 48 B 0.72560048878588 0.42084887245366 0.91130907641540 10.811 > 45 49 O 0.38885681209276 0.08627563876412 0.44937749223726 15.999 > 49 50 O 0.88885681209276 0.08627563876412 0.44937749223726 15.999 > 49 51 O 0.38885681209276 0.08627563876412 0.94937749223726 15.999 > 49 52 O 0.88885681209276 0.08627563876412 0.94937749223726 15.999 > 49 53 O 0.11114318790724 0.58627563876412 0.05062250776274 15.999 > 53 54 O 0.61114318790724 0.58627563876412 0.05062250776274 15.999 > 53 55 O 0.11114318790724 0.58627563876412 0.55062250776274 15.999 > 53 56 O 0.61114318790724 0.58627563876412 0.55062250776274 15.999 > 53 57 O 0.11114318790724 0.91372436123588 0.05062250776274 15.999 > 57 58 O 0.61114318790724 0.91372436123588 0.05062250776274 15.999 > 57 59 O 0.11114318790724 0.91372436123588 0.55062250776274 15.999 > 57 60 O 0.61114318790724 0.91372436123588 0.55062250776274 15.999 > 57 61 O 0.38885681209276 0.41372436123588 0.44937749223726 15.999 > 61 62 O 0.88885681209276 0.41372436123588 0.44937749223726 15.999 > 61 63 O 0.38885681209276 0.41372436123588 0.94937749223726 15.999 > 61 64 O 0.88885681209276 0.41372436123588 0.94937749223726 15.999 > 61 65 O 0.43790760950081 0.25000000000000 0.45897440605280 15.999 > 65 66 O 0.93790760950081 0.25000000000000 0.45897440605280 15.999 > 65 67 O 0.43790760950081 0.25000000000000 0.95897440605280 15.999 > 65 68 O 0.93790760950081 0.25000000000000 0.95897440605280 15.999 > 65 69 O 0.06209239049919 0.75000000000000 0.04102559394720 15.999 > 69 70 O 0.56209239049919 0.75000000000000 0.04102559394720 15.999 > 69 71 O 0.06209239049919 0.75000000000000 0.54102559394720 15.999 > 69 72 O 0.56209239049919 0.75000000000000 0.54102559394720 15.999 > 69 73 O 0.26737333116737 0.25000000000000 0.15354755781810 15.999 > 73 74 O 0.76737333116737 0.25000000000000 0.15354755781810 15.999 > 73 75 O 0.26737333116737 0.25000000000000 0.65354755781810 15.999 > 73 76 O 0.76737333116737 0.25000000000000 0.65354755781810 15.999 > 73 77 O 0.23262666883263 0.75000000000000 0.34645244218190 15.999 > 77 78 O 0.73262666883263 0.75000000000000 0.34645244218190 15.999 > 77 79 O 0.23262666883263 0.75000000000000 0.84645244218190 15.999 > 77 80 O 0.73262666883263 0.75000000000000 0.84645244218190 15.999 > 77 81 O 0.16441022648941 0.48759763162979 0.34459096886825 15.999 > 81 82 O 0.66441022648941 0.48759763162979 0.34459096886825 15.999 > 81 83 O 0.16441022648941 0.48759763162979 0.84459096886825 15.999 > 81 84 O 0.66441022648941 0.48759763162979 0.84459096886825 15.999 > 81 85 O 0.33558977351059 0.98759763162979 0.15540903113175 15.999 > 85 86 O 0.83558977351059 0.98759763162979 0.15540903113175 15.999 > 85 87 O 0.33558977351059 0.98759763162979 0.65540903113175 15.999 > 85 88 O 0.83558977351059 0.98759763162979 0.65540903113175 15.999 > 85 89 O 0.33558977351059 0.51240236837021 0.15540903113175 15.999 > 89 90 O 0.83558977351059 0.51240236837021 0.15540903113175 15.999 > 89 91 O 0.33558977351059 0.51240236837021 0.65540903113175 15.999 > 89 92 O 0.83558977351059 0.51240236837021 0.65540903113175 15.999 > 89 93 O 0.16441022648941 0.01240236837021 0.34459096886825 15.999 > 93 94 O 0.66441022648941 0.01240236837021 0.34459096886825 15.999 > 93 95 O 0.16441022648941 0.01240236837021 0.84459096886825 15.999 > 93 96 O 0.66441022648941 0.01240236837021 0.84459096886825 15.999 > 93 97 O 0.13933501066173 0.35478975889349 0.44793369869824 15.999 > 97 98 O 0.63933501066173 0.35478975889349 0.44793369869824 15.999 > 97 99 O 0.13933501066173 0.35478975889349 0.94793369869824 15.999 > 97 100 O 0.63933501066173 0.35478975889349 0.94793369869824 15.999 > 97 101 O 0.36066498933827 0.85478975889349 0.05206630130176 15.999 > 101 102 O 0.86066498933827 0.85478975889349 0.05206630130176 15.999 > 101 103 O 0.36066498933827 0.85478975889349 0.55206630130176 15.999 > 101 104 O 0.86066498933827 0.85478975889349 0.55206630130176 15.999 > 101 105 O 0.36066498933827 0.64521024110651 0.05206630130176 15.999 > 105 106 O 0.86066498933827 0.64521024110651 0.05206630130176 15.999 > 105 107 O 0.36066498933827 0.64521024110651 0.55206630130176 15.999 > 105 108 O 0.86066498933827 0.64521024110651 0.55206630130176 15.999 > 105 109 O 0.13933501066173 0.14521024110651 0.44793369869824 15.999 > 109 110 O 0.63933501066173 0.14521024110651 0.44793369869824 15.999 > 109 111 O 0.13933501066173 0.14521024110651 0.94793369869824 15.999 > 109 112 O 0.63933501066173 0.14521024110651 0.94793369869824 15.999 > 109 113 O 0.41602138437053 0.33258393357736 0.29804205874245 15.999 > 113 114 O 0.91602138437053 0.33258393357736 0.29804205874245 15.999 > 113 115 O 0.41602138437053 0.33258393357736 0.79804205874245 15.999 > 113 116 O 0.91602138437053 0.33258393357736 0.79804205874245 15.999 > 113 117 O 0.08397861562947 0.83258393357736 0.20195794125755 15.999 > 117 118 O 0.58397861562947 0.83258393357736 0.20195794125755 15.999 > 117 119 O 0.08397861562947 0.83258393357736 0.70195794125755 15.999 > 117 120 O 0.58397861562947 0.83258393357736 0.70195794125755 15.999 > 117 121 O 0.08397861562947 0.66741606642264 0.20195794125755 15.999 > 121 122 O 0.58397861562947 0.66741606642264 0.20195794125755 15.999 > 121 123 O 0.08397861562947 0.66741606642264 0.70195794125755 15.999 > 121 124 O 0.58397861562947 0.66741606642264 0.70195794125755 15.999 > 121 125 O 0.41602138437053 0.16741606642264 0.29804205874245 15.999 > 125 126 O 0.91602138437053 0.16741606642264 0.29804205874245 15.999 > 125 127 O 0.41602138437053 0.16741606642264 0.79804205874245 15.999 > 125 128 O 0.91602138437053 0.16741606642264 0.79804205874245 15.999 > 125 129 Ba 0.08341607700978 0.08811000815211 0.15191260608592 137.327 > 129 130 Ba 0.58341607700978 0.08811000815211 0.15191260608592 137.327 > 129 131 Ba 0.08341607700978 0.08811000815211 0.65191260608592 137.327 > 129 132 Ba 0.58341607700978 0.08811000815211 0.65191260608592 137.327 > 129 133 Ba 0.41658392299022 0.58811000815211 0.34808739391408 137.327 > 133 134 Ba 0.91658392299022 0.58811000815211 0.34808739391408 137.327 > 133 135 Ba 0.41658392299022 0.58811000815211 0.84808739391408 137.327 > 133 136 Ba 0.91658392299022 0.58811000815211 0.84808739391408 137.327 > 133 137 Ba 0.41658392299022 0.91188999184789 0.34808739391408 137.327 > 137 138 Ba 0.91658392299022 0.91188999184789 0.34808739391408 137.327 > 137 139 Ba 0.41658392299022 0.91188999184789 0.84808739391408 137.327 > 137 140 Ba 0.91658392299022 0.91188999184789 0.84808739391408 137.327 > 137 141 Ba 0.08341607700978 0.41188999184789 0.15191260608592 137.327 > 141 142 Ba 0.58341607700978 0.41188999184789 0.15191260608592 137.327 > 141 143 Ba 0.08341607700978 0.41188999184789 0.65191260608592 137.327 > 141 144 Ba 0.58341607700978 0.41188999184789 0.65191260608592 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9920476 0.0000000 0.0712225 0.0000000 3.0049549 0.0000000 0.0712236 0.0000000 2.9532688 -------------------------- Born effective charges -------------------------- 1 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 2 Li 0.9952592 0.0000000 -0.0323112 0.0000000 1.0408992 0.0000000 -0.0488102 0.0000000 1.1001044 3 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 4 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 5 B 2.4378469 0.2488471 0.1432835 -0.2425937 2.5956827 -0.2662688 0.0453665 -0.0968949 2.1680825 6 B 2.4378469 -0.2488471 0.1432835 0.2425937 2.5956827 0.2662688 0.0453665 0.0968949 2.1680825 7 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 8 B 0.7687582 0.0000000 0.9148366 0.0000000 2.5584785 0.0000000 0.8726643 0.0000000 2.4153147 9 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 10 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 11 B 2.6120012 -0.3290271 0.2330019 -0.0630213 1.9988179 0.9979141 0.2966996 0.9272741 1.4588559 12 B 2.6120012 0.3290271 0.2330019 0.0630213 1.9988179 -0.9979141 0.2966996 -0.9272741 1.4588559 13 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 14 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 15 O -2.2706398 -0.4996153 -0.3369989 -0.4141129 -1.6396162 0.0414929 -0.2704094 0.0391447 -1.3745445 16 O -2.2706398 0.4996153 -0.3369989 0.4141129 -1.6396162 -0.0414929 -0.2704094 -0.0391447 -1.3745445 17 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 18 O -1.2259423 0.0000000 0.1213410 0.0000000 -2.4991402 0.0000000 0.1711689 0.0000000 -1.3687748 19 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 20 O -1.4107062 0.0000000 -0.4395774 0.0000000 -1.6567748 0.0000000 -0.4399468 0.0000000 -2.1560579 21 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 22 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 23 O -1.7975528 0.0980187 -0.1400557 0.1792526 -1.8767503 0.4488746 -0.2022512 0.3520881 -1.6949635 24 O -1.7975528 -0.0980187 -0.1400557 -0.1792526 -1.8767503 -0.4488746 -0.2022512 -0.3520881 -1.6949635 25 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 26 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 27 O -2.2421343 -0.6453324 0.0520304 -0.6757706 -1.5641761 0.2327138 0.0171785 0.2314606 -1.2266269 28 O -2.2421343 0.6453324 0.0520304 0.6757706 -1.5641761 -0.2327138 0.0171785 -0.2314606 -1.2266269 29 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 30 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 31 O -1.0654112 -0.1899166 -0.2283685 -0.2678809 -1.7920578 -0.4715365 -0.1884449 -0.3927246 -2.0612796 32 O -1.0654112 0.1899166 -0.2283685 0.2678809 -1.7920578 0.4715365 -0.1884449 0.3927246 -2.0612796 33 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 34 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 35 Ba 2.7622055 0.1170365 -0.0050374 0.0668511 2.5563683 0.0078936 0.0243228 -0.0727735 2.7351829 36 Ba 2.7622055 -0.1170365 -0.0050374 -0.0668511 2.5563683 -0.0078936 0.0243228 0.0727735 2.7351829 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000020 (xxx) -0.00000020 (xxx) -0.00000020 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 3 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.783 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 13.898 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.283 ( 0.000 0.000 0.000) 0.000 14.350 ( 0.000 0.000 0.000) 0.000 15.311 ( 0.000 0.000 0.000) 0.000 15.319 ( 0.000 0.000 0.000) 0.000 16.613 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 17.998 ( 0.000 0.000 0.000) 0.000 18.110 ( 0.000 0.000 0.000) 0.000 18.432 ( 0.000 0.000 0.000) 0.000 18.527 ( 0.000 0.000 0.000) 0.000 19.793 ( 0.000 0.000 0.000) 0.000 20.127 ( 0.000 0.000 0.000) 0.000 20.252 ( 0.000 0.000 0.000) 0.000 20.262 ( 0.000 0.000 0.000) 0.000 20.695 ( 0.000 0.000 0.000) 0.000 20.723 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 21.330 ( 0.000 0.000 0.000) 0.000 21.368 ( 0.000 0.000 0.000) 0.000 21.612 ( 0.000 0.000 0.000) 0.000 22.047 ( 0.000 0.000 0.000) 0.000 22.112 ( 0.000 0.000 0.000) 0.000 22.570 ( 0.000 0.000 0.000) 0.000 23.053 ( 0.000 0.000 0.000) 0.000 26.217 ( 0.000 0.000 0.000) 0.000 26.250 ( 0.000 0.000 0.000) 0.000 27.009 ( 0.000 0.000 0.000) 0.000 27.021 ( 0.000 0.000 0.000) 0.000 27.835 ( 0.000 0.000 0.000) 0.000 27.841 ( 0.000 0.000 0.000) 0.000 27.883 ( 0.000 0.000 0.000) 0.000 27.888 ( 0.000 0.000 0.000) 0.000 28.567 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 29.164 ( 0.000 0.000 0.000) 0.000 29.525 ( 0.000 0.000 0.000) 0.000 30.234 ( 0.000 0.000 0.000) 0.000 31.376 ( 0.000 0.000 0.000) 0.000 31.494 ( 0.000 0.000 0.000) 0.000 31.619 ( 0.000 0.000 0.000) 0.000 32.191 ( 0.000 0.000 0.000) 0.000 32.202 ( 0.000 0.000 0.000) 0.000 35.331 ( 0.000 0.000 0.000) 0.000 35.456 ( 0.000 0.000 0.000) 0.000 35.850 ( 0.000 0.000 0.000) 0.000 35.855 ( 0.000 0.000 0.000) 0.000 37.444 ( 0.000 0.000 0.000) 0.000 39.047 ( 0.000 0.000 0.000) 0.000 41.475 ( 0.000 0.000 0.000) 0.000 41.522 ( 0.000 0.000 0.000) 0.000 41.792 ( 0.000 0.000 0.000) 0.000 41.801 ( 0.000 0.000 0.000) 0.000 42.069 ( 0.000 0.000 0.000) 0.000 42.968 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 21.463 0.000 27.270) 34.704 0.601 ( 30.643 0.000 1.977) 30.707 1.255 ( 56.926 0.000 3.849) 57.056 1.487 ( 7.785 0.000 7.105) 10.540 1.917 ( 1.446 0.000 1.994) 2.463 2.246 ( 1.421 0.000 -10.830) 10.923 2.354 ( 3.553 0.000 9.885) 10.504 2.468 ( 8.172 0.000 -1.033) 8.237 2.543 ( -0.173 0.000 -2.233) 2.239 2.565 ( 9.546 0.000 10.891) 14.482 2.791 ( 3.998 0.000 2.374) 4.649 2.890 ( 5.271 0.000 -2.617) 5.885 3.175 ( 13.199 0.000 7.721) 15.292 3.694 ( 1.558 0.000 -3.730) 4.042 3.707 ( 6.287 0.000 -4.484) 7.723 3.855 ( 5.302 0.000 -13.238) 14.261 3.963 ( 1.353 0.000 12.193) 12.267 3.995 ( 7.980 0.000 1.900) 8.203 4.048 ( -0.766 0.000 3.376) 3.462 4.120 ( 9.969 0.000 -1.292) 10.052 4.735 ( 1.692 0.000 -1.339) 2.157 4.886 ( 25.533 0.000 2.996) 25.708 4.910 ( -1.861 0.000 -8.177) 8.386 4.923 ( 13.182 0.000 2.755) 13.466 5.683 ( 0.044 0.000 0.957) 0.958 5.790 ( 17.398 0.000 -0.968) 17.425 5.917 ( 4.508 0.000 8.241) 9.394 6.114 ( 24.062 0.000 1.720) 24.124 6.504 ( -2.158 0.000 3.583) 4.182 6.660 ( 3.789 0.000 0.664) 3.847 7.174 ( 3.089 0.000 -5.257) 6.097 7.535 ( -6.503 0.000 -7.236) 9.729 7.773 ( -7.255 0.000 -0.423) 7.267 8.230 ( -18.320 0.000 2.271) 18.460 8.741 ( 1.400 0.000 1.019) 1.732 8.919 ( 1.656 0.000 1.058) 1.965 9.240 ( 1.833 0.000 0.589) 1.926 9.364 ( 7.401 0.000 3.720) 8.284 9.487 ( 7.517 0.000 5.583) 9.364 9.640 ( 1.839 0.000 -1.024) 2.105 11.213 ( -8.059 0.000 -4.502) 9.232 11.243 ( 0.320 0.000 -0.056) 0.325 11.303 ( 0.698 0.000 -0.103) 0.706 11.481 ( -7.611 0.000 -9.911) 12.497 12.004 ( 1.198 0.000 -0.815) 1.449 12.125 ( 4.492 0.000 -0.876) 4.576 12.769 ( 2.937 0.000 -2.533) 3.878 13.028 ( -1.457 0.000 2.370) 2.782 13.727 ( -6.141 0.000 0.163) 6.144 13.823 ( -7.660 0.000 1.379) 7.783 14.031 ( 2.290 0.000 -4.586) 5.126 14.182 ( 8.571 0.000 -9.812) 13.029 14.299 ( 1.482 0.000 0.440) 1.546 14.365 ( 0.992 0.000 0.188) 1.010 15.333 ( 0.871 0.000 8.154) 8.200 15.354 ( 1.285 0.000 5.650) 5.794 16.501 ( -11.090 0.000 -0.279) 11.094 16.611 ( 0.611 0.000 -3.150) 3.208 16.628 ( -7.233 0.000 -1.981) 7.499 16.653 ( 0.984 0.000 -1.914) 2.153 17.951 ( -2.700 0.000 -0.011) 2.700 18.126 ( 0.701 0.000 0.863) 1.112 18.434 ( -0.307 0.000 1.341) 1.376 18.666 ( -1.933 0.000 -2.748) 3.359 19.921 ( 12.677 0.000 -1.509) 12.767 20.214 ( 8.000 0.000 -1.394) 8.120 20.261 ( -0.286 0.000 0.004) 0.286 20.319 ( 1.360 0.000 -4.342) 4.550 20.640 ( -4.790 0.000 -0.409) 4.808 20.822 ( -2.442 0.000 -8.807) 9.139 21.148 ( -8.523 0.000 0.229) 8.526 21.266 ( -6.134 0.000 -0.223) 6.138 21.433 ( 1.703 0.000 1.481) 2.258 21.642 ( 2.754 0.000 0.250) 2.765 22.039 ( -0.922 0.000 0.202) 0.944 22.120 ( 0.702 0.000 -0.501) 0.862 22.605 ( 3.995 0.000 -0.162) 3.998 23.055 ( 0.665 0.000 -0.458) 0.807 26.119 ( -8.356 0.000 1.191) 8.441 26.425 ( -8.774 0.000 21.539) 23.257 26.954 ( -6.224 0.000 -0.213) 6.228 26.979 ( -5.064 0.000 -0.119) 5.065 27.777 ( -6.233 0.000 0.603) 6.262 27.873 ( 2.849 0.000 0.884) 2.983 27.919 ( 2.949 0.000 0.343) 2.969 28.307 ( -21.913 0.000 -8.467) 23.492 28.856 ( 29.253 0.000 -1.897) 29.315 29.043 ( -11.819 0.000 0.258) 11.822 29.367 ( -15.262 0.000 -1.007) 15.296 30.170 ( 37.576 0.000 -73.542) 82.586 30.278 ( 4.606 0.000 -0.143) 4.608 31.341 ( -2.209 0.000 -1.626) 2.743 31.471 ( -2.490 0.000 0.787) 2.612 31.714 ( -8.993 0.000 36.807) 37.890 32.164 ( -2.381 0.000 -1.039) 2.598 32.267 ( 3.600 0.000 3.670) 5.142 35.404 ( 8.249 0.000 -0.204) 8.251 35.587 ( 11.891 0.000 -0.384) 11.897 35.977 ( 12.856 0.000 -1.296) 12.921 37.490 ( 4.973 0.000 -0.356) 4.986 37.684 ( 12.334 0.000 -37.086) 39.083 39.037 ( -0.071 0.000 -3.342) 3.343 41.477 ( 0.560 0.000 -2.220) 2.289 41.636 ( -5.874 0.000 -14.548) 15.689 41.879 ( -3.141 0.000 18.557) 18.821 41.891 ( -8.780 0.000 -5.321) 10.266 42.171 ( -8.030 0.000 47.075) 47.755 43.029 ( -23.599 0.000 56.086) 60.849 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 24.060 0.000 22.209) 32.743 1.141 ( 24.853 0.000 2.383) 24.967 1.726 ( 13.748 0.000 6.067) 15.028 2.005 ( 14.154 0.000 -2.210) 14.325 2.011 ( 6.646 0.000 5.411) 8.570 2.209 ( 9.779 0.000 -5.452) 11.196 2.485 ( 5.290 0.000 16.870) 17.680 2.490 ( -1.952 0.000 -3.799) 4.271 2.621 ( 5.515 0.000 -0.218) 5.520 2.853 ( 11.720 0.000 2.838) 12.059 2.925 ( 9.017 0.000 2.855) 9.458 2.970 ( 5.762 0.000 -2.908) 6.454 3.468 ( 9.633 0.000 11.072) 14.676 3.718 ( 2.222 0.000 -2.548) 3.381 3.856 ( 9.965 0.000 -4.492) 10.930 3.927 ( 5.166 0.000 -2.097) 5.576 4.016 ( -3.270 0.000 3.710) 4.945 4.065 ( 2.874 0.000 10.577) 10.961 4.085 ( 1.408 0.000 -3.055) 3.364 4.218 ( -0.583 0.000 -5.004) 5.038 4.804 ( 10.847 0.000 -5.553) 12.186 4.962 ( 10.146 0.000 -7.533) 12.636 5.218 ( 12.560 0.000 3.111) 12.940 5.430 ( 16.008 0.000 5.139) 16.812 5.832 ( 24.567 0.000 0.590) 24.574 6.144 ( 14.757 0.000 2.445) 14.958 6.203 ( 18.288 0.000 2.081) 18.406 6.496 ( 0.927 0.000 6.068) 6.138 6.579 ( 24.537 0.000 2.004) 24.619 6.884 ( 20.589 0.000 -3.582) 20.898 7.232 ( 5.821 0.000 -4.860) 7.583 7.370 ( -3.470 0.000 -8.104) 8.816 7.636 ( -3.694 0.000 -0.842) 3.789 7.808 ( -24.459 0.000 0.746) 24.470 8.751 ( -0.923 0.000 -0.207) 0.946 8.924 ( -2.404 0.000 0.377) 2.434 9.324 ( 7.623 0.000 1.141) 7.708 9.672 ( 22.442 0.000 9.286) 24.287 9.691 ( 4.021 0.000 0.518) 4.054 9.724 ( 14.855 0.000 6.943) 16.397 11.001 ( -10.880 0.000 -8.053) 13.536 11.194 ( -14.923 0.000 -11.991) 19.144 11.274 ( 2.823 0.000 -0.165) 2.828 11.318 ( 1.841 0.000 -0.594) 1.934 12.085 ( 5.616 0.000 1.370) 5.781 12.214 ( 4.898 0.000 0.612) 4.936 12.817 ( 4.114 0.000 -4.923) 6.416 13.012 ( 0.126 0.000 -2.683) 2.686 13.582 ( -8.982 0.000 0.643) 9.005 13.656 ( -10.129 0.000 2.256) 10.377 14.085 ( 6.687 0.000 -7.268) 9.877 14.298 ( 7.729 0.000 -9.846) 12.517 14.336 ( 2.084 0.000 0.299) 2.106 14.378 ( 0.440 0.000 0.301) 0.534 15.404 ( 0.037 0.000 9.683) 9.683 15.418 ( 3.058 0.000 11.018) 11.434 16.225 ( -17.207 0.000 0.065) 17.207 16.392 ( -15.895 0.000 -2.956) 16.168 16.608 ( 1.007 0.000 -4.633) 4.741 16.663 ( 1.207 0.000 -3.093) 3.320 17.941 ( 1.440 0.000 0.040) 1.441 18.138 ( -0.046 0.000 0.635) 0.636 18.424 ( -1.543 0.000 1.138) 1.918 18.610 ( -3.063 0.000 -0.045) 3.064 20.168 ( 10.559 0.000 -1.288) 10.638 20.239 ( -2.556 0.000 -0.032) 2.556 20.307 ( -2.015 0.000 -1.690) 2.630 20.316 ( 0.888 0.000 -2.503) 2.656 20.542 ( -4.702 0.000 -0.235) 4.708 20.702 ( -6.816 0.000 -2.960) 7.431 20.944 ( -11.252 0.000 0.195) 11.254 21.152 ( -3.523 0.000 -0.311) 3.537 21.451 ( -0.620 0.000 0.380) 0.727 21.701 ( 2.869 0.000 0.816) 2.982 22.016 ( -1.506 0.000 0.074) 1.508 22.118 ( -1.095 0.000 -0.489) 1.199 22.735 ( 10.515 0.000 -0.542) 10.529 23.098 ( 5.007 0.000 -0.637) 5.048 25.988 ( -5.425 0.000 2.758) 6.086 26.321 ( -9.497 0.000 9.682) 13.563 26.751 ( -15.547 0.000 -0.473) 15.554 26.801 ( -14.478 0.000 0.313) 14.482 27.623 ( -9.960 0.000 1.594) 10.087 27.849 ( -21.329 0.000 -3.789) 21.663 27.937 ( 2.934 0.000 0.764) 3.032 27.985 ( 3.312 0.000 0.453) 3.343 28.780 ( -14.793 0.000 0.503) 14.802 29.012 ( -19.692 0.000 -1.757) 19.771 29.501 ( 36.977 0.000 -3.128) 37.109 30.407 ( 9.314 0.000 -0.124) 9.315 30.521 ( 24.480 0.000 -32.117) 40.383 31.324 ( 2.173 0.000 -1.942) 2.915 31.416 ( -3.920 0.000 2.563) 4.683 31.711 ( -5.652 0.000 20.422) 21.189 32.116 ( -1.602 0.000 -1.007) 1.892 32.372 ( 5.990 0.000 0.907) 6.059 35.612 ( 12.248 0.000 0.828) 12.276 35.827 ( 12.463 0.000 -0.696) 12.482 36.297 ( 20.966 0.000 -2.313) 21.093 37.632 ( 10.503 0.000 -0.770) 10.531 37.770 ( 11.587 0.000 -22.730) 25.513 39.022 ( 1.033 0.000 -5.823) 5.914 41.457 ( -6.708 0.000 -10.049) 12.082 41.460 ( -0.623 0.000 -7.659) 7.684 41.708 ( -6.260 0.000 -7.687) 9.913 41.853 ( -8.000 0.000 16.250) 18.113 42.205 ( -7.905 0.000 31.484) 32.461 42.789 ( -23.103 0.000 32.299) 39.711 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 18.772 0.000 3.668) 19.127 1.579 ( 21.828 0.000 15.221) 26.611 1.998 ( 10.762 0.000 -0.628) 10.780 2.046 ( 2.163 0.000 -4.113) 4.647 2.185 ( 7.065 0.000 9.062) 11.491 2.398 ( 5.990 0.000 -1.046) 6.080 2.448 ( -0.098 0.000 -1.843) 1.846 2.668 ( 4.238 0.000 13.791) 14.427 2.709 ( 5.629 0.000 -0.413) 5.644 3.002 ( 3.305 0.000 -0.832) 3.408 3.122 ( 11.452 0.000 0.812) 11.481 3.131 ( 10.733 0.000 2.086) 10.934 3.598 ( 0.828 0.000 3.331) 3.433 3.736 ( 1.050 0.000 -4.418) 4.541 3.951 ( -2.510 0.000 -0.651) 2.593 3.989 ( 3.619 0.000 -4.196) 5.542 4.015 ( -3.908 0.000 -6.785) 7.830 4.033 ( 2.415 0.000 9.462) 9.765 4.136 ( -2.246 0.000 -5.613) 6.046 4.159 ( 0.409 0.000 14.148) 14.153 5.085 ( 18.944 0.000 -4.984) 19.588 5.164 ( 14.783 0.000 -7.645) 16.643 5.384 ( 5.094 0.000 2.250) 5.569 5.510 ( -2.362 0.000 4.675) 5.238 6.221 ( -3.085 0.000 5.124) 5.981 6.373 ( 1.942 0.000 5.921) 6.231 6.420 ( 21.315 0.000 -3.759) 21.643 6.592 ( -0.894 0.000 7.458) 7.511 6.919 ( -0.193 0.000 -8.718) 8.720 7.200 ( -15.954 0.000 -1.680) 16.042 7.231 ( 26.293 0.000 -1.039) 26.313 7.567 ( 22.323 0.000 -0.788) 22.337 7.585 ( 10.796 0.000 0.389) 10.803 7.791 ( 20.579 0.000 0.134) 20.580 8.697 ( -4.703 0.000 -0.714) 4.757 8.833 ( -6.977 0.000 1.010) 7.050 9.578 ( 19.419 0.000 1.529) 19.479 9.826 ( 10.755 0.000 1.891) 10.920 10.069 ( 19.325 0.000 5.878) 20.199 10.302 ( 35.510 0.000 9.389) 36.731 10.749 ( -10.184 0.000 -10.880) 14.903 10.872 ( -11.595 0.000 -14.056) 18.221 11.333 ( 5.480 0.000 -0.453) 5.499 11.423 ( 9.916 0.000 -1.335) 10.006 12.191 ( 4.430 0.000 1.402) 4.647 12.307 ( 4.329 0.000 0.645) 4.377 12.892 ( 7.315 0.000 -6.285) 9.645 13.028 ( 4.022 0.000 -4.431) 5.984 13.408 ( -9.561 0.000 1.164) 9.631 13.487 ( -8.615 0.000 2.459) 8.959 14.204 ( 8.949 0.000 -7.579) 11.727 14.366 ( 3.607 0.000 -6.643) 7.559 14.372 ( 1.626 0.000 -0.153) 1.633 14.404 ( 2.699 0.000 0.613) 2.768 15.447 ( -0.134 0.000 9.692) 9.693 15.534 ( 3.317 0.000 10.464) 10.977 15.897 ( -16.598 0.000 0.571) 16.608 16.045 ( -18.032 0.000 -3.053) 18.289 16.606 ( 1.255 0.000 -5.104) 5.256 16.667 ( 0.821 0.000 -3.234) 3.336 17.965 ( -0.691 0.000 0.800) 1.057 18.105 ( -4.420 0.000 -0.731) 4.480 18.383 ( -3.047 0.000 -0.121) 3.050 18.547 ( -4.004 0.000 0.362) 4.021 20.121 ( -14.078 0.000 -0.140) 14.079 20.130 ( -10.165 0.000 0.306) 10.169 20.199 ( -12.732 0.000 -2.172) 12.916 20.204 ( -8.087 0.000 0.169) 8.089 20.484 ( -1.660 0.000 -0.022) 1.660 20.557 ( -7.063 0.000 -0.619) 7.090 20.859 ( 3.769 0.000 -0.700) 3.833 21.173 ( 4.689 0.000 -0.133) 4.691 21.419 ( -2.429 0.000 0.542) 2.489 21.752 ( 1.920 0.000 1.206) 2.267 21.987 ( -1.394 0.000 -0.081) 1.396 22.069 ( -3.659 0.000 -0.192) 3.664 23.011 ( 19.390 0.000 -1.008) 19.416 23.263 ( 13.220 0.000 -0.599) 13.234 25.953 ( 0.044 0.000 3.242) 3.243 26.189 ( -7.046 0.000 3.757) 7.985 26.366 ( -24.606 0.000 -0.218) 24.607 26.437 ( -23.645 0.000 0.196) 23.646 27.436 ( -10.443 0.000 2.026) 10.637 27.504 ( -14.493 0.000 0.346) 14.497 27.977 ( 0.988 0.000 0.356) 1.050 28.030 ( 1.046 0.000 0.424) 1.128 28.523 ( -12.462 0.000 0.476) 12.471 28.660 ( -16.325 0.000 -1.662) 16.410 30.124 ( 29.116 0.000 -3.534) 29.329 30.625 ( 13.537 0.000 -0.097) 13.537 30.766 ( 13.656 0.000 -16.491) 21.411 31.360 ( -3.282 0.000 4.078) 5.234 31.413 ( 7.784 0.000 -1.578) 7.942 31.693 ( -4.362 0.000 11.991) 12.760 32.112 ( 1.928 0.000 -0.713) 2.056 32.485 ( 5.982 0.000 -1.810) 6.250 35.829 ( 9.394 0.000 1.714) 9.549 36.021 ( 8.125 0.000 -0.382) 8.134 36.705 ( 22.501 0.000 -2.606) 22.652 37.872 ( 14.885 0.000 -0.848) 14.909 37.898 ( 11.668 0.000 -17.087) 20.691 39.027 ( 2.742 0.000 -6.803) 7.334 41.297 ( -6.105 0.000 -6.310) 8.780 41.356 ( -4.608 0.000 -13.041) 13.831 41.621 ( -1.271 0.000 -0.754) 1.478 41.746 ( -10.137 0.000 12.550) 16.133 42.176 ( -8.189 0.000 21.269) 22.792 42.493 ( -21.309 0.000 22.876) 31.263 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 13.917 0.000 3.307) 14.304 1.970 ( 12.476 0.000 7.337) 14.474 2.084 ( 1.770 0.000 -3.173) 3.633 2.110 ( 6.192 0.000 -0.918) 6.259 2.314 ( 1.370 0.000 6.911) 7.045 2.461 ( 1.149 0.000 -0.783) 1.391 2.477 ( 4.267 0.000 -1.356) 4.478 2.747 ( -1.465 0.000 10.622) 10.723 2.883 ( 11.985 0.000 1.829) 12.124 3.024 ( 0.903 0.000 -2.478) 2.638 3.329 ( 9.018 0.000 1.181) 9.095 3.347 ( 9.565 0.000 4.435) 10.543 3.569 ( -1.754 0.000 -5.636) 5.902 3.708 ( -1.282 0.000 -6.457) 6.583 3.825 ( -7.290 0.000 -10.418) 12.715 3.897 ( -3.269 0.000 0.523) 3.310 4.063 ( 2.554 0.000 -1.220) 2.831 4.104 ( 0.664 0.000 -2.055) 2.160 4.113 ( 0.160 0.000 12.842) 12.843 4.196 ( -2.889 0.000 10.801) 11.181 5.357 ( 13.075 0.000 -5.303) 14.109 5.452 ( -0.639 0.000 4.030) 4.081 5.474 ( 18.805 0.000 -5.812) 19.683 5.482 ( -0.175 0.000 1.622) 1.632 6.113 ( -7.774 0.000 2.197) 8.078 6.421 ( 0.878 0.000 6.407) 6.467 6.510 ( -7.497 0.000 5.095) 9.065 6.600 ( -1.257 0.000 5.898) 6.031 6.813 ( -2.661 0.000 -8.859) 9.250 6.909 ( -8.834 0.000 -4.609) 9.964 7.626 ( 13.938 0.000 -1.877) 14.064 7.860 ( 12.024 0.000 0.362) 12.029 7.952 ( 15.784 0.000 3.880) 16.254 8.192 ( 15.626 0.000 2.255) 15.788 8.569 ( -8.154 0.000 -0.217) 8.157 8.694 ( -7.716 0.000 0.584) 7.738 10.014 ( 21.611 0.000 0.154) 21.611 10.096 ( 12.742 0.000 1.685) 12.853 10.419 ( 12.794 0.000 3.971) 13.397 10.586 ( 1.901 0.000 -9.876) 10.057 10.670 ( -1.227 0.000 -12.432) 12.492 10.936 ( 23.006 0.000 5.808) 23.728 11.582 ( 22.146 0.000 1.259) 22.181 11.692 ( 20.237 0.000 -2.767) 20.425 12.255 ( 1.754 0.000 0.555) 1.840 12.375 ( 2.649 0.000 0.045) 2.650 13.058 ( 13.223 0.000 -4.939) 14.115 13.142 ( 10.478 0.000 -3.908) 11.183 13.252 ( -7.124 0.000 1.370) 7.255 13.356 ( -6.527 0.000 2.149) 6.872 14.323 ( 6.648 0.000 -6.906) 9.586 14.377 ( 0.472 0.000 -3.229) 3.263 14.415 ( 3.303 0.000 0.019) 3.303 14.484 ( 5.181 0.000 0.713) 5.230 15.491 ( 0.462 0.000 6.938) 6.954 15.617 ( 0.244 0.000 7.856) 7.860 15.646 ( -9.516 0.000 0.752) 9.545 15.734 ( -12.245 0.000 -2.814) 12.564 16.609 ( 1.229 0.000 -3.266) 3.489 16.673 ( 1.701 0.000 -2.659) 3.156 17.847 ( -13.646 0.000 0.860) 13.673 17.946 ( -11.999 0.000 -1.226) 12.061 18.309 ( -4.415 0.000 -1.551) 4.679 18.450 ( -6.275 0.000 -1.098) 6.371 19.821 ( -14.948 0.000 0.104) 14.949 19.886 ( -14.394 0.000 1.622) 14.485 19.893 ( -15.029 0.000 -1.422) 15.096 20.008 ( -12.998 0.000 1.891) 13.135 20.430 ( -4.355 0.000 0.428) 4.376 20.477 ( -1.223 0.000 -0.031) 1.224 20.963 ( 5.219 0.000 -0.736) 5.271 21.269 ( 4.623 0.000 0.250) 4.630 21.385 ( -1.235 0.000 0.665) 1.403 21.781 ( 0.519 0.000 1.101) 1.217 21.965 ( -0.918 0.000 -0.301) 0.966 21.998 ( -3.224 0.000 0.178) 3.229 23.446 ( 26.697 0.000 -1.152) 26.722 23.591 ( 21.499 0.000 -0.493) 21.505 25.850 ( -29.275 0.000 0.190) 29.276 25.941 ( -28.285 0.000 -0.143) 28.285 26.005 ( 3.402 0.000 2.799) 4.406 26.113 ( -2.024 0.000 0.828) 2.187 27.262 ( -8.708 0.000 2.229) 8.989 27.289 ( -9.318 0.000 1.443) 9.429 27.983 ( -0.227 0.000 0.094) 0.246 28.031 ( -1.030 0.000 0.372) 1.095 28.321 ( -9.036 0.000 0.222) 9.039 28.386 ( -11.949 0.000 -1.064) 11.996 30.534 ( 15.914 0.000 -2.194) 16.065 30.886 ( 5.405 0.000 -7.797) 9.487 30.890 ( 13.680 0.000 -0.066) 13.680 31.341 ( -0.728 0.000 3.918) 3.986 31.576 ( 9.254 0.000 -1.104) 9.320 31.662 ( -3.389 0.000 6.321) 7.172 32.185 ( 5.884 0.000 -0.812) 5.940 32.574 ( 4.634 0.000 -3.267) 5.670 35.970 ( 4.829 0.000 1.692) 5.116 36.131 ( 3.898 0.000 0.006) 3.898 37.085 ( 18.290 0.000 -2.075) 18.408 38.034 ( 9.550 0.000 -12.067) 15.389 38.157 ( 14.788 0.000 -0.402) 14.794 39.056 ( 3.354 0.000 -6.045) 6.913 41.170 ( -4.736 0.000 -3.660) 5.986 41.210 ( -4.447 0.000 -9.746) 10.713 41.609 ( -9.120 0.000 8.459) 12.439 41.616 ( 0.329 0.000 -0.296) 0.443 42.102 ( -7.925 0.000 12.360) 14.683 42.231 ( -15.438 0.000 16.169) 22.355 ======================= Grid point 5 (6/100) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.678 0.000 -0.567) 1.771 2.128 ( 4.935 0.000 0.490) 4.959 2.170 ( 7.366 0.000 0.771) 7.406 2.226 ( 3.196 0.000 1.855) 3.696 2.317 ( -0.761 0.000 1.955) 2.098 2.462 ( -1.595 0.000 0.222) 1.611 2.560 ( 4.712 0.000 -0.666) 4.759 2.733 ( -3.831 0.000 5.919) 7.050 3.051 ( 3.364 0.000 -0.391) 3.387 3.108 ( 9.135 0.000 3.261) 9.700 3.413 ( -3.696 0.000 -0.649) 3.753 3.466 ( 4.819 0.000 -0.422) 4.837 3.598 ( 7.281 0.000 -1.904) 7.526 3.631 ( -4.195 0.000 -3.966) 5.774 3.680 ( -2.235 0.000 -7.963) 8.271 3.821 ( -4.922 0.000 0.013) 4.922 4.080 ( 0.507 0.000 -1.809) 1.878 4.137 ( 2.153 0.000 1.392) 2.564 4.137 ( -2.120 0.000 1.663) 2.694 4.192 ( -1.456 0.000 11.555) 11.647 5.430 ( -2.200 0.000 4.186) 4.729 5.494 ( 0.084 0.000 -1.481) 1.483 5.555 ( 9.793 0.000 -2.807) 10.187 5.714 ( 7.803 0.000 -3.915) 8.730 5.999 ( -4.606 0.000 1.847) 4.962 6.414 ( -4.121 0.000 3.686) 5.529 6.476 ( 2.298 0.000 3.632) 4.298 6.560 ( -4.505 0.000 9.349) 10.378 6.769 ( 1.215 0.000 -5.513) 5.645 6.809 ( -0.790 0.000 -7.025) 7.069 7.779 ( 4.818 0.000 -0.940) 4.909 8.001 ( 3.697 0.000 0.348) 3.713 8.161 ( 3.107 0.000 5.644) 6.443 8.363 ( 3.273 0.000 1.420) 3.568 8.428 ( -4.477 0.000 -0.615) 4.519 8.564 ( -5.534 0.000 -1.339) 5.693 10.167 ( -1.117 0.000 -2.506) 2.744 10.208 ( 1.581 0.000 -4.435) 4.709 10.569 ( 2.945 0.000 1.940) 3.527 10.773 ( 12.344 0.000 -3.346) 12.789 10.783 ( 14.940 0.000 -2.194) 15.101 11.215 ( 7.284 0.000 2.230) 7.618 12.026 ( 19.224 0.000 2.402) 19.374 12.102 ( 19.910 0.000 -3.038) 20.140 12.269 ( 0.057 0.000 -0.364) 0.368 12.409 ( 1.161 0.000 -0.144) 1.170 13.169 ( -1.994 0.000 1.191) 2.323 13.258 ( -4.821 0.000 1.319) 4.998 13.292 ( 11.131 0.000 -1.265) 11.202 13.383 ( 15.094 0.000 -2.905) 15.371 14.346 ( -0.655 0.000 -1.960) 2.067 14.402 ( 3.064 0.000 -3.964) 5.010 14.494 ( 4.503 0.000 -0.022) 4.503 14.583 ( 3.779 0.000 0.987) 3.906 15.518 ( -0.169 0.000 2.627) 2.632 15.568 ( 0.775 0.000 0.468) 0.905 15.596 ( -1.038 0.000 -2.003) 2.256 15.606 ( -4.083 0.000 4.462) 6.049 16.628 ( 1.766 0.000 -0.419) 1.815 16.710 ( 2.827 0.000 -1.346) 3.131 17.510 ( -18.886 0.000 -0.028) 18.886 17.645 ( -17.631 0.000 -0.360) 17.635 18.214 ( -3.963 0.000 -2.030) 4.453 18.309 ( -7.303 0.000 -1.754) 7.511 19.620 ( -6.214 0.000 0.373) 6.225 19.664 ( -8.844 0.000 1.915) 9.048 19.680 ( -6.924 0.000 -1.063) 7.005 19.777 ( -10.939 0.000 2.280) 11.174 20.370 ( -2.018 0.000 0.170) 2.025 20.460 ( -0.798 0.000 0.157) 0.813 21.025 ( 1.867 0.000 -0.311) 1.893 21.336 ( 2.249 0.000 0.277) 2.266 21.377 ( -0.099 0.000 0.393) 0.405 21.782 ( -0.531 0.000 0.522) 0.745 21.948 ( -0.615 0.000 -0.157) 0.634 21.964 ( -0.766 0.000 0.218) 0.797 23.971 ( 28.183 0.000 -1.010) 28.201 24.038 ( 24.817 0.000 -0.236) 24.818 25.296 ( -28.759 0.000 0.679) 28.767 25.402 ( -27.588 0.000 -0.413) 27.592 26.079 ( 2.299 0.000 1.569) 2.784 26.114 ( 1.641 0.000 0.026) 1.641 27.136 ( -5.394 0.000 1.356) 5.562 27.160 ( -4.911 0.000 1.047) 5.021 27.974 ( -0.539 0.000 -0.139) 0.557 28.001 ( -2.018 0.000 0.307) 2.041 28.192 ( -4.575 0.000 -0.274) 4.583 28.211 ( -5.986 0.000 -0.100) 5.987 30.728 ( 6.181 0.000 -0.539) 6.205 30.915 ( 0.930 0.000 -2.982) 3.124 31.106 ( 8.502 0.000 -0.026) 8.502 31.357 ( 0.429 0.000 2.120) 2.163 31.631 ( -1.977 0.000 2.615) 3.278 31.721 ( 5.932 0.000 -0.585) 5.961 32.298 ( 5.502 0.000 -0.643) 5.539 32.627 ( 2.395 0.000 -2.413) 3.400 36.035 ( 1.685 0.000 0.946) 1.932 36.179 ( 1.413 0.000 0.147) 1.420 37.350 ( 10.157 0.000 -1.061) 10.212 38.132 ( 5.279 0.000 -6.401) 8.297 38.391 ( 9.278 0.000 0.061) 9.278 39.087 ( 2.115 0.000 -3.663) 4.230 41.087 ( -2.646 0.000 -1.699) 3.145 41.111 ( -2.275 0.000 -4.950) 5.448 41.499 ( -5.389 0.000 4.271) 6.876 41.616 ( -0.362 0.000 -0.194) 0.411 42.010 ( -4.944 0.000 4.641) 6.781 42.080 ( -7.412 0.000 9.324) 11.911 ======================= Grid point 6 (7/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 0.000 0.000) 0.000 2.187 ( -0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 -0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 -0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 -0.000) 0.000 3.352 ( -0.000 0.000 -0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 -0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 -0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 -0.000) 0.000 5.485 ( 0.000 0.000 -0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 -0.000) 0.000 6.388 ( 0.000 0.000 -0.000) 0.000 6.514 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 -0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 -0.000) 0.000 8.162 ( 0.000 0.000 -0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.419 ( -0.000 0.000 -0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 -0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 -0.000) 0.000 10.934 ( 0.000 0.000 -0.000) 0.000 11.285 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 -0.000) 0.000 12.267 ( 0.000 0.000 -0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 13.186 ( -2.900 0.000 -0.088) 2.902 13.186 ( 2.900 0.000 0.088) 2.902 13.406 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 -0.000) 0.000 14.548 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 15.520 ( 0.000 0.000 0.000) 0.000 15.561 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 -0.000) 0.000 16.651 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.437 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 19.570 ( 0.000 0.000 -0.000) 0.000 19.587 ( 0.000 0.000 -0.000) 0.000 19.613 ( 0.000 0.000 0.000) 0.000 19.670 ( 0.000 0.000 0.000) 0.000 20.352 ( 0.000 0.000 0.000) 0.000 20.452 ( 0.000 0.000 -0.000) 0.000 21.041 ( 0.000 0.000 0.000) 0.000 21.357 ( 0.000 0.000 -0.000) 0.000 21.378 ( 0.000 0.000 0.000) 0.000 21.777 ( 0.000 0.000 0.000) 0.000 21.943 ( 0.000 0.000 0.000) 0.000 21.958 ( 0.000 0.000 0.000) 0.000 24.336 ( 0.000 0.000 0.000) 0.000 24.374 ( -0.000 0.000 0.000) 0.000 24.917 ( 0.000 0.000 -0.000) 0.000 25.049 ( 0.000 0.000 0.000) 0.000 26.100 ( 0.000 0.000 -0.000) 0.000 26.140 ( 0.000 0.000 -0.000) 0.000 27.086 ( 0.000 0.000 0.000) 0.000 27.115 ( 0.000 0.000 -0.000) 0.000 27.970 ( 0.000 0.000 -0.000) 0.000 27.975 ( 0.000 0.000 0.000) 0.000 28.145 ( -0.000 0.000 0.000) 0.000 28.160 ( 0.000 0.000 -0.000) 0.000 30.783 ( 0.000 0.000 0.000) 0.000 30.913 ( 0.000 0.000 -0.000) 0.000 31.189 ( 0.000 0.000 0.000) 0.000 31.367 ( 0.000 0.000 0.000) 0.000 31.618 ( 0.000 0.000 0.000) 0.000 31.777 ( 0.000 0.000 0.000) 0.000 32.354 ( 0.000 0.000 0.000) 0.000 32.643 ( 0.000 0.000 0.000) 0.000 36.052 ( 0.000 0.000 0.000) 0.000 36.192 ( 0.000 0.000 -0.000) 0.000 37.445 ( 0.000 0.000 0.000) 0.000 38.167 ( 0.000 0.000 0.000) 0.000 38.482 ( 0.000 0.000 -0.000) 0.000 39.098 ( 0.000 0.000 -0.000) 0.000 41.058 ( 0.000 0.000 0.000) 0.000 41.078 ( 0.000 0.000 0.000) 0.000 41.457 ( 0.000 0.000 0.000) 0.000 41.608 ( 0.000 0.000 0.000) 0.000 41.980 ( -0.000 0.000 0.000) 0.000 42.028 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 13 (8/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.000 24.593 0.000) 24.593 0.755 ( 0.000 32.209 0.000) 32.209 0.985 ( 0.000 17.596 0.000) 17.596 1.214 ( 0.000 7.935 0.000) 7.935 1.450 ( 0.000 -27.797 0.000) 27.797 2.034 ( 0.000 -34.430 0.000) 34.430 2.347 ( 0.000 4.703 0.000) 4.703 2.380 ( 0.000 0.303 0.000) 0.303 2.419 ( 0.000 13.643 0.000) 13.643 2.634 ( 0.000 3.623 0.000) 3.623 2.741 ( 0.000 -4.992 0.000) 4.992 2.801 ( 0.000 -1.117 0.000) 1.117 2.991 ( 0.000 -0.067 0.000) 0.067 3.099 ( 0.000 -8.369 0.000) 8.369 3.736 ( 0.000 2.596 0.000) 2.596 3.788 ( 0.000 -1.312 0.000) 1.312 3.861 ( 0.000 -0.264 0.000) 0.264 3.876 ( 0.000 -1.198 0.000) 1.198 4.330 ( 0.000 17.569 0.000) 17.569 4.607 ( 0.000 -5.077 0.000) 5.077 4.686 ( 0.000 1.422 0.000) 1.422 4.741 ( 0.000 -2.580 0.000) 2.580 4.937 ( 0.000 -0.399 0.000) 0.399 4.964 ( 0.000 -1.803 0.000) 1.803 5.585 ( 0.000 2.114 0.000) 2.114 5.651 ( 0.000 -2.946 0.000) 2.946 5.740 ( 0.000 6.522 0.000) 6.522 5.896 ( 0.000 -6.143 0.000) 6.143 6.556 ( 0.000 2.669 0.000) 2.669 6.612 ( 0.000 -1.876 0.000) 1.876 7.247 ( 0.000 7.858 0.000) 7.858 7.498 ( 0.000 -13.359 0.000) 13.359 8.101 ( 0.000 10.258 0.000) 10.258 8.285 ( 0.000 -5.698 0.000) 5.698 8.761 ( 0.000 3.027 0.000) 3.027 8.846 ( 0.000 -3.708 0.000) 3.708 9.254 ( 0.000 2.151 0.000) 2.151 9.292 ( 0.000 -0.585 0.000) 0.585 9.371 ( 0.000 0.684 0.000) 0.684 9.387 ( 0.000 -0.799 0.000) 0.799 11.265 ( 0.000 -1.237 0.000) 1.237 11.268 ( 0.000 -1.247 0.000) 1.247 11.383 ( 0.000 2.121 0.000) 2.121 11.405 ( 0.000 0.206 0.000) 0.206 11.999 ( 0.000 1.335 0.000) 1.335 12.034 ( 0.000 -1.448 0.000) 1.448 12.750 ( 0.000 0.731 0.000) 0.731 12.771 ( 0.000 -0.903 0.000) 0.903 13.903 ( 0.000 0.408 0.000) 0.408 13.914 ( 0.000 -0.502 0.000) 0.502 14.047 ( 0.000 1.738 0.000) 1.738 14.089 ( 0.000 -1.643 0.000) 1.643 14.379 ( 0.000 2.249 0.000) 2.249 14.434 ( 0.000 -2.154 0.000) 2.154 15.313 ( 0.000 0.149 0.000) 0.149 15.317 ( 0.000 -0.149 0.000) 0.149 16.617 ( 0.000 0.660 0.000) 0.660 16.637 ( 0.000 -0.852 0.000) 0.852 16.641 ( 0.000 1.690 0.000) 1.690 16.682 ( 0.000 -1.593 0.000) 1.593 18.026 ( 0.000 2.302 0.000) 2.302 18.086 ( 0.000 -2.459 0.000) 2.459 18.458 ( 0.000 1.980 0.000) 1.980 18.505 ( 0.000 -1.759 0.000) 1.759 19.882 ( 0.000 5.635 0.000) 5.635 20.035 ( 0.000 -6.709 0.000) 6.709 20.258 ( 0.000 0.275 0.000) 0.275 20.262 ( 0.000 -0.064 0.000) 0.064 20.708 ( 0.000 0.934 0.000) 0.934 20.724 ( 0.000 -0.263 0.000) 0.263 21.281 ( 0.000 -0.360 0.000) 0.360 21.285 ( 0.000 -1.083 0.000) 1.083 21.470 ( 0.000 5.484 0.000) 5.484 21.575 ( 0.000 -3.245 0.000) 3.245 22.057 ( 0.000 0.884 0.000) 0.884 22.088 ( 0.000 -1.646 0.000) 1.646 22.993 ( 0.000 1.769 0.000) 1.769 23.034 ( 0.000 -1.526 0.000) 1.526 26.225 ( 0.000 0.640 0.000) 0.640 26.242 ( 0.000 -0.685 0.000) 0.685 27.036 ( 0.000 1.255 0.000) 1.255 27.069 ( 0.000 -1.313 0.000) 1.313 27.846 ( 0.000 0.844 0.000) 0.844 27.851 ( 0.000 0.690 0.000) 0.690 27.874 ( 0.000 -0.649 0.000) 0.649 27.878 ( 0.000 -0.795 0.000) 0.795 28.573 ( 0.000 0.535 0.000) 0.535 28.587 ( 0.000 -0.575 0.000) 0.575 29.529 ( 0.000 0.349 0.000) 0.349 29.538 ( 0.000 -0.294 0.000) 0.294 31.386 ( 0.000 0.887 0.000) 0.887 31.414 ( 0.000 -1.482 0.000) 1.482 31.535 ( 0.000 2.659 0.000) 2.659 31.593 ( 0.000 -2.079 0.000) 2.079 32.194 ( 0.000 0.200 0.000) 0.200 32.199 ( 0.000 -0.201 0.000) 0.201 35.443 ( 0.000 0.348 0.000) 0.348 35.451 ( 0.000 -0.340 0.000) 0.340 35.851 ( 0.000 0.098 0.000) 0.098 35.853 ( 0.000 -0.108 0.000) 0.108 39.053 ( 0.000 0.533 0.000) 0.533 39.067 ( 0.000 -0.531 0.000) 0.531 41.484 ( 0.000 0.739 0.000) 0.739 41.506 ( 0.000 -1.073 0.000) 1.073 41.866 ( 0.000 5.121 0.000) 5.121 41.998 ( 0.000 -5.422 0.000) 5.422 42.879 ( 0.000 2.841 0.000) 2.841 42.942 ( 0.000 -2.196 0.000) 2.196 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 15.094 19.105 4.040) 24.681 0.946 ( 15.518 18.517 7.989) 25.447 1.262 ( 8.362 -12.836 5.171) 16.169 1.549 ( 33.319 15.298 3.842) 36.864 1.591 ( 11.430 -16.807 2.816) 20.520 2.052 ( 8.690 -18.574 -6.055) 21.382 2.472 ( 3.126 9.764 9.153) 13.744 2.524 ( 10.357 2.642 2.036) 10.881 2.603 ( 15.840 1.150 -0.411) 15.887 2.635 ( 1.068 5.231 -0.862) 5.409 2.798 ( 5.243 -1.745 1.356) 5.690 2.843 ( 3.655 -3.976 -1.280) 5.550 3.174 ( 16.782 2.798 7.003) 18.399 3.372 ( 18.348 -14.200 7.004) 24.235 3.760 ( 4.264 2.920 -3.980) 6.523 3.820 ( 3.310 -2.402 -4.471) 6.060 3.928 ( 6.895 0.105 0.874) 6.951 3.938 ( 5.717 -0.807 -0.064) 5.774 4.258 ( -6.779 9.237 -2.092) 11.647 4.360 ( -15.253 3.173 2.146) 15.727 4.781 ( 0.875 3.099 -2.085) 3.836 4.843 ( 3.470 -2.410 -2.642) 4.983 4.918 ( 16.997 1.477 -1.228) 17.105 4.946 ( 12.714 -0.263 -1.645) 12.822 5.656 ( 5.758 -2.095 1.432) 6.293 5.663 ( 3.475 -1.947 2.296) 4.598 6.020 ( 19.526 4.860 2.342) 20.257 6.131 ( 19.451 -3.299 2.897) 19.940 6.548 ( -0.144 3.952 2.793) 4.841 6.630 ( 2.889 -2.616 1.442) 4.155 7.248 ( 1.590 6.102 -5.911) 8.644 7.421 ( -3.885 -7.899 -6.098) 10.708 7.937 ( -13.598 9.417 -0.738) 16.557 8.126 ( -16.428 -7.040 0.962) 17.899 8.821 ( 3.325 5.147 1.894) 6.413 8.919 ( 2.399 -2.064 1.663) 3.575 9.266 ( 2.473 2.102 -0.816) 3.347 9.329 ( 6.546 -3.116 -0.213) 7.253 9.477 ( 7.285 0.026 5.938) 9.398 9.518 ( 9.205 -4.137 5.473) 11.480 11.226 ( -5.297 1.492 -3.886) 6.737 11.275 ( -0.596 -0.642 -1.182) 1.471 11.289 ( -2.501 1.031 -1.334) 3.016 11.361 ( -6.707 -4.863 -4.560) 9.456 12.025 ( 2.891 1.871 0.243) 3.452 12.079 ( 4.655 -2.627 0.422) 5.362 12.784 ( 3.363 1.505 -2.331) 4.360 12.854 ( 5.348 -5.481 -0.510) 7.675 13.809 ( -8.854 1.832 0.617) 9.063 13.827 ( -7.882 -0.007 0.936) 7.938 14.064 ( 3.214 2.780 -4.769) 6.388 14.136 ( 6.200 -3.018 -6.411) 9.416 14.378 ( -0.745 2.033 -0.089) 2.167 14.394 ( -1.077 1.254 -1.100) 1.986 15.335 ( 0.832 0.375 7.014) 7.073 15.347 ( 1.045 -0.518 6.130) 6.240 16.540 ( -9.491 2.194 -1.979) 9.940 16.587 ( -5.918 -1.810 -3.228) 6.980 16.636 ( -1.162 0.629 -0.695) 1.493 16.650 ( 0.020 -0.415 -1.228) 1.297 17.995 ( -1.773 3.387 0.104) 3.824 18.081 ( 0.270 -3.553 0.603) 3.614 18.458 ( -0.173 2.242 0.637) 2.338 18.540 ( 1.232 -5.310 -0.595) 5.483 19.999 ( 11.749 5.643 -2.116) 13.205 20.142 ( 10.003 -5.835 -2.450) 11.837 20.265 ( 0.193 0.340 -0.211) 0.444 20.281 ( 1.798 -1.396 -1.492) 2.722 20.659 ( -4.431 1.850 0.097) 4.803 20.720 ( -2.092 -3.618 -0.487) 4.207 21.187 ( -8.952 1.211 -0.547) 9.050 21.220 ( -7.101 -2.175 0.170) 7.428 21.505 ( 3.058 5.163 -0.301) 6.008 21.606 ( 2.904 -3.098 -0.399) 4.265 22.052 ( -0.560 1.208 0.048) 1.332 22.092 ( 0.257 -1.973 -0.383) 2.026 22.875 ( -4.672 10.685 -2.676) 11.965 23.019 ( -0.471 -3.283 -0.989) 3.461 26.147 ( -7.186 2.650 3.261) 8.325 26.258 ( -3.829 -7.633 10.849) 13.806 26.987 ( -6.054 0.956 0.683) 6.167 26.994 ( -6.621 0.693 0.239) 6.661 27.815 ( -5.086 3.638 0.141) 6.255 27.886 ( 2.621 1.075 0.853) 2.958 27.905 ( 2.861 -1.238 0.247) 3.127 27.996 ( -4.426 -13.229 -2.779) 14.224 28.881 ( 29.028 2.303 -1.494) 29.158 28.960 ( 24.450 -4.526 -0.606) 24.873 29.377 ( -12.887 1.540 -2.193) 13.163 29.470 ( 4.670 -8.943 -5.737) 11.606 31.102 ( -10.176 16.265 -30.467) 36.004 31.293 ( -4.341 -4.039 -12.374) 13.722 31.537 ( -2.876 4.816 12.178) 13.408 31.652 ( -5.039 -4.587 26.916) 27.766 32.169 ( -1.695 0.566 -0.893) 1.998 32.201 ( 1.643 -2.662 0.473) 3.163 35.462 ( 6.759 3.692 -0.763) 7.739 35.544 ( 9.357 -3.235 -0.558) 9.916 36.044 ( 17.984 6.132 -0.360) 19.004 36.328 ( 32.097 -23.391 2.159) 39.774 38.799 ( -14.097 19.978 -18.593) 30.717 39.006 ( -2.711 -3.236 -6.013) 7.347 41.495 ( 0.930 1.703 -0.491) 2.001 41.563 ( 1.961 -4.574 2.814) 5.717 41.770 ( -6.434 3.704 -5.182) 9.054 41.878 ( -8.102 -4.406 -9.212) 13.036 42.640 ( -18.193 17.616 23.197) 34.343 42.916 ( -16.928 -8.397 35.735) 40.424 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 22.744 9.537 5.806) 25.337 1.340 ( 19.683 12.087 10.269) 25.278 1.477 ( 13.001 -13.612 2.214) 18.953 1.745 ( 7.881 -16.987 11.488) 21.969 2.123 ( 18.199 6.509 -1.572) 19.392 2.230 ( 11.222 -1.372 -3.371) 11.798 2.551 ( -1.606 3.624 2.652) 4.769 2.574 ( 1.014 2.537 2.922) 4.000 2.733 ( 6.186 8.319 2.751) 10.726 2.862 ( 8.323 -1.691 2.556) 8.870 2.917 ( 7.846 0.166 0.718) 7.881 2.946 ( 7.502 -1.916 -0.074) 7.743 3.507 ( 10.951 4.235 9.974) 15.406 3.675 ( 10.548 -9.716 6.595) 15.784 3.817 ( 3.749 5.953 -5.679) 9.042 3.924 ( 7.696 -2.223 -5.424) 9.674 4.012 ( 1.459 0.698 1.595) 2.272 4.055 ( 2.739 -1.207 8.468) 8.981 4.128 ( -2.752 3.277 -4.308) 6.072 4.210 ( -5.567 -2.331 -2.323) 6.467 4.847 ( 10.078 3.125 -4.958) 11.658 4.920 ( 9.983 -2.969 -5.611) 11.831 5.267 ( 13.563 3.672 2.112) 14.209 5.366 ( 15.920 -4.541 3.268) 16.874 5.859 ( 24.747 2.545 1.644) 24.932 5.963 ( 24.052 -6.999 3.031) 25.232 6.310 ( 6.507 3.666 3.210) 8.129 6.401 ( 2.741 -4.542 4.914) 7.232 6.748 ( 23.635 7.838 1.279) 24.933 6.861 ( 22.562 -2.434 -1.631) 22.751 7.264 ( 3.582 2.783 -7.042) 8.377 7.337 ( -0.594 -2.803 -8.318) 8.797 7.671 ( -10.718 2.856 -0.044) 11.092 7.753 ( -20.425 -3.842 0.645) 20.793 8.835 ( -2.172 5.475 0.173) 5.893 8.919 ( -2.863 -1.312 0.459) 3.182 9.368 ( 8.752 4.200 0.653) 9.730 9.520 ( 10.924 -8.373 1.416) 13.837 9.722 ( 17.163 2.469 8.573) 19.343 9.765 ( 15.502 -0.352 7.444) 17.200 11.017 ( -11.164 2.142 -8.294) 14.072 11.111 ( -12.907 -5.404 -9.996) 17.196 11.287 ( 2.440 0.930 -0.496) 2.658 11.308 ( 2.001 -0.780 -0.673) 2.251 12.117 ( 5.630 2.501 1.297) 6.296 12.181 ( 5.358 -2.577 0.964) 6.023 12.836 ( 3.931 1.926 -4.690) 6.416 12.918 ( 2.996 -5.232 -3.650) 7.048 13.631 ( -10.036 2.292 1.151) 10.358 13.657 ( -10.124 -0.193 1.852) 10.294 14.131 ( 6.861 3.922 -7.458) 10.867 14.238 ( 7.638 -4.510 -8.714) 12.434 14.369 ( 0.466 1.702 -0.244) 1.782 14.386 ( 0.053 0.212 -0.135) 0.257 15.400 ( 0.439 -0.139 10.114) 10.125 15.406 ( 1.923 -0.650 10.654) 10.846 16.274 ( -16.731 3.512 -1.198) 17.137 16.354 ( -15.853 -2.967 -2.624) 16.340 16.625 ( 0.659 1.209 -3.836) 4.076 16.652 ( 0.883 -0.949 -3.172) 3.427 17.995 ( 1.372 4.291 0.091) 4.506 18.097 ( 0.602 -3.632 0.398) 3.703 18.450 ( -1.218 2.337 0.956) 2.803 18.534 ( -1.366 -4.772 0.405) 4.980 20.211 ( 7.721 3.144 -1.694) 8.507 20.252 ( -1.870 0.974 -0.169) 2.115 20.278 ( 0.855 -1.833 -1.324) 2.417 20.296 ( 1.062 -1.989 -2.883) 3.660 20.564 ( -4.788 2.013 -0.038) 5.194 20.635 ( -5.718 -3.973 -0.597) 6.988 20.981 ( -10.507 2.646 -0.161) 10.837 21.066 ( -6.744 -4.827 -0.104) 8.294 21.551 ( 1.559 6.023 -0.353) 6.231 21.662 ( 2.761 -3.311 0.045) 4.312 22.033 ( -1.559 1.543 0.097) 2.196 22.083 ( -1.305 -2.448 -0.298) 2.790 22.883 ( 6.344 9.270 -1.244) 11.301 23.048 ( 4.897 -4.603 -0.989) 6.793 26.039 ( -5.400 4.538 3.998) 8.108 26.192 ( -6.715 -8.216 7.092) 12.763 26.787 ( -15.627 1.658 0.348) 15.718 26.803 ( -14.917 0.004 0.366) 14.922 27.655 ( -10.958 2.866 1.150) 11.385 27.757 ( -15.394 -5.703 -1.085) 16.452 27.949 ( 3.033 0.949 0.684) 3.251 27.973 ( 3.229 -0.972 0.534) 3.414 28.864 ( -16.687 5.456 -0.522) 17.564 28.971 ( -18.328 -3.451 -1.408) 18.703 29.610 ( 35.630 9.484 -4.290) 37.120 29.938 ( 31.549 -19.254 -7.842) 37.783 30.931 ( 2.997 15.323 -17.610) 23.535 31.191 ( 0.048 -8.385 -9.935) 13.001 31.538 ( -2.685 6.596 11.447) 13.481 31.665 ( -4.603 -4.022 18.721) 19.694 32.148 ( 0.345 3.063 -1.108) 3.276 32.266 ( 4.758 -6.772 -0.110) 8.277 35.655 ( 12.004 3.578 0.551) 12.538 35.758 ( 12.167 -4.790 -0.153) 13.076 36.436 ( 22.894 11.709 -2.381) 25.824 36.856 ( 24.716 -26.716 -3.400) 36.554 38.555 ( -2.956 26.426 -14.985) 30.522 38.931 ( -0.827 -8.641 -8.535) 12.174 41.482 ( -2.345 1.765 -6.959) 7.553 41.491 ( -5.314 1.631 -11.996) 13.221 41.679 ( -4.360 -1.602 -2.218) 5.148 41.717 ( -5.102 -5.603 10.041) 12.580 42.449 ( -16.057 13.703 28.018) 35.080 42.700 ( -21.061 -7.660 29.518) 37.061 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 19.305 3.769 2.539) 19.833 1.710 ( 12.730 1.372 7.901) 15.045 1.770 ( 17.713 -2.738 2.099) 18.046 1.994 ( 11.561 -11.150 11.599) 19.812 2.269 ( 2.350 6.842 -3.117) 7.877 2.366 ( 2.233 -2.203 -2.884) 4.261 2.536 ( 2.890 6.094 1.088) 6.831 2.663 ( 3.256 -3.067 7.069) 8.365 2.817 ( 2.902 7.568 2.974) 8.634 2.962 ( 2.751 -4.119 2.338) 5.477 3.087 ( 9.662 0.552 -0.115) 9.679 3.130 ( 10.387 -2.069 1.991) 10.777 3.666 ( 2.834 5.691 2.398) 6.795 3.798 ( 1.338 0.333 -4.691) 4.889 3.849 ( 0.889 -1.394 1.327) 2.120 3.955 ( -2.995 -3.992 -5.490) 7.420 4.055 ( 0.427 1.641 -1.297) 2.135 4.061 ( 0.444 1.719 3.379) 3.817 4.121 ( -1.455 -0.819 -2.457) 2.971 4.138 ( 0.387 -1.655 12.305) 12.422 5.092 ( 16.289 0.830 -4.753) 16.988 5.129 ( 13.982 -2.186 -5.856) 15.315 5.435 ( 5.702 3.325 2.304) 6.991 5.495 ( 1.528 -1.549 3.706) 4.298 6.226 ( -1.656 1.104 4.390) 4.820 6.296 ( 2.635 -4.623 4.052) 6.688 6.457 ( 15.611 2.686 0.003) 15.840 6.535 ( 8.587 -3.695 2.834) 9.768 7.007 ( -6.025 5.698 -5.486) 9.943 7.129 ( -8.901 -4.601 -3.173) 10.510 7.326 ( 19.309 6.309 0.596) 20.322 7.472 ( 18.201 -5.660 0.970) 19.086 7.655 ( 15.841 3.551 -1.304) 16.286 7.741 ( 18.363 -3.642 -0.923) 18.743 8.759 ( -5.873 4.115 0.178) 7.173 8.826 ( -6.938 -1.250 0.902) 7.107 9.622 ( 18.261 3.892 1.367) 18.721 9.743 ( 13.939 -5.796 1.477) 15.168 10.146 ( 22.550 5.297 6.710) 24.117 10.258 ( 30.534 -3.727 8.365) 31.878 10.766 ( -9.543 1.670 -11.181) 14.794 10.827 ( -10.338 -3.171 -12.766) 16.730 11.356 ( 6.569 1.785 -0.735) 6.847 11.401 ( 8.808 -1.771 -1.142) 9.057 12.222 ( 4.480 2.417 1.248) 5.241 12.280 ( 4.426 -2.181 0.883) 5.013 12.904 ( 6.719 1.381 -5.798) 8.981 12.966 ( 5.153 -3.780 -4.872) 8.036 13.452 ( -9.307 2.446 1.395) 9.723 13.485 ( -8.794 -0.461 2.039) 9.039 14.235 ( 7.198 2.786 -7.109) 10.493 14.315 ( 4.077 -3.536 -6.570) 8.503 14.393 ( 2.329 1.230 -0.319) 2.653 14.410 ( 2.921 -0.069 -0.254) 2.933 15.458 ( 0.634 1.069 10.152) 10.228 15.499 ( 2.283 -2.304 10.616) 11.101 15.944 ( -16.705 3.307 -0.593) 17.040 16.015 ( -17.498 -2.485 -2.362) 17.831 16.621 ( 0.990 1.169 -4.500) 4.754 16.651 ( 0.803 -1.239 -3.591) 3.882 18.006 ( -1.788 3.128 0.396) 3.625 18.077 ( -3.718 -2.423 -0.387) 4.455 18.416 ( -2.773 2.738 0.062) 3.898 18.496 ( -3.075 -3.708 0.329) 4.828 20.122 ( -14.176 1.081 -0.408) 14.223 20.156 ( -11.274 0.092 0.374) 11.281 20.175 ( -11.690 -0.582 -1.646) 11.820 20.196 ( -8.318 -0.863 -0.146) 8.364 20.495 ( -2.874 1.006 0.038) 3.045 20.530 ( -5.397 -1.853 -0.130) 5.708 20.908 ( 3.615 4.192 -0.686) 5.578 21.043 ( 3.629 -7.233 -0.424) 8.103 21.562 ( -0.127 7.991 0.233) 7.996 21.705 ( 1.566 -4.156 0.636) 4.486 21.998 ( -1.954 1.075 0.096) 2.232 22.038 ( -3.112 -2.144 -0.007) 3.779 23.096 ( 16.781 5.982 -1.044) 17.846 23.219 ( 13.989 -3.890 -0.815) 14.543 25.993 ( -1.322 3.467 3.352) 5.000 26.102 ( -5.041 -5.517 3.461) 8.236 26.406 ( -24.156 1.953 0.132) 24.235 26.433 ( -23.903 -0.525 0.189) 23.909 27.449 ( -11.079 1.101 1.787) 11.276 27.482 ( -12.986 -1.553 1.004) 13.117 27.991 ( 1.047 1.102 0.458) 1.587 28.018 ( 1.076 -1.026 0.472) 1.560 28.564 ( -14.055 3.053 -0.341) 14.387 28.632 ( -15.851 -2.366 -1.350) 16.083 30.198 ( 27.271 6.393 -4.149) 28.316 30.404 ( 21.523 -11.036 -5.091) 24.717 30.978 ( 7.151 10.525 -9.253) 15.733 31.196 ( 3.374 -8.614 -4.521) 10.297 31.555 ( 0.012 6.162 7.491) 9.700 31.660 ( -3.393 -2.949 11.267) 12.130 32.182 ( 3.948 6.118 -1.298) 7.396 32.367 ( 6.182 -8.661 -1.637) 10.766 35.868 ( 9.249 3.246 1.365) 9.897 35.961 ( 8.728 -4.291 0.365) 9.733 36.855 ( 22.371 12.524 -3.255) 25.844 37.261 ( 20.853 -23.017 -5.102) 31.475 38.520 ( 4.724 23.332 -10.834) 26.155 38.908 ( 2.572 -10.717 -8.417) 13.868 41.320 ( -6.500 1.715 -7.869) 10.349 41.352 ( -5.809 -0.683 -11.507) 12.908 41.626 ( -1.444 0.982 2.276) 2.869 41.683 ( -4.897 -3.733 8.565) 10.548 42.283 ( -13.929 7.251 21.608) 26.712 42.433 ( -19.513 -5.062 22.317) 30.074 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 13.090 0.162 1.859) 13.222 1.924 ( 9.062 -3.694 0.567) 9.802 2.083 ( 10.958 4.307 5.360) 12.937 2.191 ( 3.587 -2.027 1.688) 4.452 2.291 ( 2.941 2.330 2.116) 4.308 2.380 ( 2.931 -3.811 -2.430) 5.387 2.593 ( 0.159 5.954 3.169) 6.746 2.710 ( -1.991 -3.562 7.981) 8.964 2.941 ( 9.040 4.204 1.741) 10.121 3.017 ( 3.105 -1.561 -0.156) 3.479 3.269 ( 8.780 -0.745 0.246) 8.815 3.316 ( 7.499 -3.340 2.222) 8.505 3.672 ( -0.327 6.513 -3.886) 7.591 3.742 ( -2.717 2.226 -7.511) 8.292 3.804 ( -6.286 -1.962 -6.686) 9.384 3.841 ( -2.315 -4.106 -2.431) 5.304 4.068 ( 1.339 0.526 -0.931) 1.714 4.089 ( 0.815 -1.097 -1.293) 1.881 4.138 ( -0.606 1.853 12.148) 12.304 4.180 ( -2.003 -1.438 11.396) 11.660 5.313 ( 7.888 -1.229 -2.869) 8.483 5.341 ( 7.646 -3.697 -2.208) 8.775 5.554 ( 5.149 4.206 1.766) 6.879 5.588 ( 10.914 2.186 -0.679) 11.151 6.142 ( -6.155 3.661 1.849) 7.397 6.288 ( -1.882 -7.910 3.391) 8.810 6.570 ( -4.325 2.327 5.415) 7.310 6.599 ( -2.215 -0.335 5.904) 6.315 6.843 ( -4.224 2.237 -7.550) 8.936 6.892 ( -7.128 -1.577 -5.686) 9.253 7.689 ( 13.836 4.993 0.058) 14.710 7.809 ( 13.901 -4.330 1.820) 14.673 7.986 ( 13.818 3.142 1.984) 14.309 8.098 ( 14.090 -6.122 1.462) 15.432 8.620 ( -8.612 3.362 0.283) 9.249 8.681 ( -8.295 -1.527 0.510) 8.450 10.025 ( 19.492 1.010 0.498) 19.524 10.061 ( 15.250 -2.055 1.201) 15.435 10.529 ( 9.779 6.203 -0.527) 11.593 10.601 ( 3.403 -0.046 -8.686) 9.329 10.671 ( 4.795 2.924 -7.260) 9.179 10.839 ( 20.406 -7.794 4.471) 22.296 11.607 ( 21.153 2.038 0.091) 21.251 11.662 ( 20.314 -2.320 -1.859) 20.530 12.287 ( 1.944 2.487 0.338) 3.174 12.347 ( 2.345 -2.257 0.096) 3.256 13.060 ( 12.256 0.477 -4.029) 12.910 13.093 ( 10.562 -2.446 -3.497) 11.392 13.308 ( -5.997 2.944 0.914) 6.743 13.351 ( -6.115 -0.778 1.433) 6.328 14.320 ( 4.997 0.223 -5.401) 7.361 14.344 ( 1.962 -1.679 -3.873) 4.655 14.453 ( 3.804 1.937 -0.360) 4.284 14.482 ( 4.552 -0.476 0.031) 4.577 15.514 ( 0.599 1.919 7.146) 7.423 15.570 ( -0.059 -2.684 7.149) 7.637 15.683 ( -9.619 1.918 0.342) 9.814 15.720 ( -11.537 -1.172 -1.902) 11.752 16.624 ( 1.381 1.213 -3.043) 3.555 16.656 ( 1.625 -1.341 -2.741) 3.458 17.874 ( -13.431 2.097 0.385) 13.599 17.924 ( -12.638 -1.840 -0.663) 12.788 18.342 ( -4.817 2.665 -1.412) 5.684 18.412 ( -5.690 -2.948 -1.171) 6.514 19.823 ( -14.594 0.780 -0.094) 14.615 19.860 ( -15.032 -1.967 -0.477) 15.168 19.932 ( -14.143 2.642 1.172) 14.435 19.987 ( -13.559 -1.819 1.685) 13.784 20.437 ( -3.398 0.717 0.388) 3.494 20.461 ( -1.782 -1.174 0.167) 2.141 21.005 ( 4.903 3.611 -0.633) 6.122 21.125 ( 4.067 -6.754 -0.189) 7.887 21.559 ( -0.216 8.905 0.599) 8.928 21.724 ( 0.119 -5.032 0.771) 5.092 21.967 ( -1.245 0.311 -0.057) 1.284 21.983 ( -2.336 -0.965 0.207) 2.536 23.491 ( 24.990 3.315 -1.008) 25.229 23.563 ( 22.455 -2.417 -0.682) 22.595 25.865 ( -27.598 1.264 0.309) 27.629 25.905 ( -25.044 -2.083 0.388) 25.133 26.044 ( -1.366 2.359 1.929) 3.340 26.093 ( -1.978 -1.670 1.196) 2.851 27.268 ( -8.834 0.467 1.986) 9.067 27.281 ( -9.129 -0.567 1.605) 9.286 27.997 ( -0.418 1.028 0.224) 1.132 28.021 ( -0.813 -0.858 0.355) 1.234 28.337 ( -9.891 1.311 -0.168) 9.979 28.370 ( -11.344 -1.304 -0.808) 11.447 30.580 ( 14.965 3.911 -2.625) 15.689 30.707 ( 12.470 -7.004 -3.545) 14.735 31.083 ( 6.974 8.303 -2.895) 11.223 31.255 ( 3.622 -6.366 0.217) 7.328 31.608 ( 2.892 1.979 2.782) 4.474 31.647 ( -2.101 -1.269 5.640) 6.151 32.279 ( 6.662 7.525 -1.599) 10.177 32.473 ( 5.847 -7.884 -2.725) 10.187 36.005 ( 4.713 2.862 1.389) 5.686 36.084 ( 4.291 -3.480 0.570) 5.554 37.226 ( 17.874 11.722 -2.767) 21.554 37.591 ( 16.135 -19.551 -4.681) 25.778 38.598 ( 7.192 19.134 -6.906) 21.576 38.939 ( 4.090 -10.224 -6.661) 12.870 41.181 ( -5.015 0.825 -4.694) 6.918 41.201 ( -4.960 -0.742 -7.640) 9.139 41.609 ( -4.190 0.233 4.296) 6.005 41.616 ( -2.631 -0.194 2.193) 3.431 42.134 ( -10.482 2.569 13.635) 17.389 42.199 ( -14.149 -2.559 15.455) 21.110 ======================= Grid point 18 (13/100) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 4.745 0.999 -0.581) 4.884 2.090 ( 6.801 -2.892 0.848) 7.439 2.210 ( 3.304 2.923 -0.510) 4.440 2.244 ( 3.836 0.051 0.627) 3.887 2.352 ( 0.762 2.749 3.138) 4.241 2.428 ( 0.387 -3.013 0.605) 3.097 2.589 ( -0.575 3.085 1.395) 3.434 2.682 ( -3.769 -3.993 4.479) 7.086 3.085 ( 4.691 2.643 -0.096) 5.386 3.129 ( 8.181 0.064 2.953) 8.698 3.371 ( 0.272 -0.890 -3.078) 3.215 3.413 ( 3.215 -3.355 1.286) 4.821 3.638 ( -2.005 2.097 -4.597) 5.436 3.668 ( -1.794 -0.121 -5.409) 5.700 3.701 ( 0.580 3.674 -2.588) 4.531 3.786 ( -2.747 -2.960 -0.855) 4.127 4.075 ( 0.002 -0.066 -0.417) 0.422 4.093 ( -0.406 -1.658 0.227) 1.722 4.171 ( -0.311 1.143 4.832) 4.975 4.189 ( -1.304 -0.377 8.759) 8.863 5.378 ( 0.827 -1.753 0.358) 1.971 5.398 ( 0.932 -3.461 -0.445) 3.612 5.684 ( 6.769 6.500 -0.646) 9.407 5.783 ( 7.916 -0.154 -1.331) 8.029 6.054 ( -3.378 7.493 0.501) 8.235 6.281 ( -0.200 -9.563 0.988) 9.616 6.508 ( -3.540 1.377 5.769) 6.907 6.539 ( -5.379 -1.379 7.677) 9.474 6.796 ( 1.579 1.779 -5.695) 6.172 6.819 ( 0.799 0.120 -6.414) 6.465 7.846 ( 4.005 5.846 0.256) 7.090 7.993 ( 5.668 -3.911 1.692) 7.092 8.143 ( 1.364 1.498 3.201) 3.788 8.255 ( 3.133 -6.640 2.044) 7.621 8.474 ( -5.204 3.138 -0.650) 6.112 8.542 ( -5.702 -2.220 -1.119) 6.220 10.162 ( -0.666 0.357 -3.080) 3.172 10.188 ( 0.620 -1.454 -3.493) 3.834 10.708 ( 9.693 6.103 -0.468) 11.464 10.763 ( 13.203 -0.919 -2.988) 13.568 10.839 ( 9.322 7.939 -0.079) 12.245 11.095 ( 6.700 -10.021 2.095) 12.235 12.033 ( 19.190 0.961 0.979) 19.239 12.072 ( 19.217 -2.060 -1.615) 19.395 12.307 ( 0.745 2.821 -0.510) 2.962 12.375 ( 1.051 -2.681 -0.322) 2.898 13.186 ( -1.276 1.465 1.326) 2.352 13.229 ( -2.232 -2.016 1.271) 3.266 13.327 ( 10.396 2.367 -1.676) 10.793 13.372 ( 12.342 -1.218 -2.459) 12.643 14.353 ( 0.894 0.650 -2.513) 2.745 14.378 ( 2.962 -1.449 -3.470) 4.787 14.525 ( 3.606 2.081 0.227) 4.170 14.567 ( 3.498 -1.357 0.758) 3.828 15.534 ( -0.750 1.255 2.495) 2.892 15.561 ( -0.405 -0.764 1.197) 1.477 15.596 ( -1.483 0.020 0.021) 1.483 15.600 ( -1.899 -0.324 1.717) 2.581 16.650 ( 2.198 1.689 -0.628) 2.842 16.691 ( 2.720 -1.563 -1.088) 3.320 17.543 ( -18.654 2.645 -0.076) 18.840 17.611 ( -18.047 -2.686 -0.250) 18.247 18.235 ( -4.894 1.722 -1.932) 5.536 18.282 ( -6.555 -2.036 -1.790) 7.094 19.628 ( -5.956 0.811 0.236) 6.016 19.653 ( -6.672 -1.095 0.234) 6.766 19.705 ( -9.434 2.012 1.104) 9.709 19.753 ( -10.661 -1.901 1.991) 11.011 20.391 ( -1.644 1.685 0.181) 2.361 20.436 ( -1.035 -1.858 0.174) 2.134 21.066 ( 1.918 3.471 -0.241) 3.973 21.180 ( 1.837 -6.404 0.011) 6.662 21.560 ( 0.036 8.462 0.421) 8.472 21.722 ( -0.476 -5.183 0.437) 5.223 21.950 ( -0.531 0.227 -0.015) 0.578 21.958 ( -0.606 -0.407 0.154) 0.746 23.992 ( 27.194 1.531 -0.818) 27.249 24.025 ( 25.523 -1.115 -0.435) 25.551 25.321 ( -28.438 2.003 0.431) 28.511 25.373 ( -27.840 -2.181 -0.112) 27.926 26.089 ( 2.109 0.771 1.185) 2.539 26.106 ( 1.783 -0.610 0.412) 1.929 27.141 ( -5.268 0.411 1.239) 5.428 27.153 ( -5.028 -0.520 1.086) 5.170 27.983 ( -0.914 0.633 -0.022) 1.112 27.996 ( -1.656 -0.438 0.203) 1.725 28.196 ( -4.926 0.331 -0.220) 4.942 28.205 ( -5.634 -0.428 -0.130) 5.652 30.757 ( 5.542 2.531 -0.902) 6.159 30.839 ( 3.703 -4.399 -1.858) 6.043 31.202 ( 5.493 5.957 -0.220) 8.106 31.317 ( 2.206 -3.528 1.162) 4.320 31.638 ( -0.655 0.848 2.102) 2.360 31.679 ( 3.257 -2.582 0.494) 4.186 32.391 ( 5.089 6.870 -1.165) 8.629 32.552 ( 3.458 -6.072 -2.012) 7.271 36.067 ( 1.649 2.634 0.800) 3.209 36.139 ( 1.523 -3.056 0.408) 3.439 37.481 ( 9.877 10.874 -1.513) 14.768 37.810 ( 8.703 -16.874 -2.872) 19.202 38.697 ( 5.177 15.483 -3.167) 16.630 38.984 ( 2.856 -8.892 -3.728) 10.056 41.091 ( -2.749 0.319 -2.180) 3.523 41.102 ( -2.624 -0.589 -3.697) 4.571 41.535 ( -3.878 2.673 2.631) 5.395 41.593 ( -1.398 -1.940 0.480) 2.439 42.024 ( -5.574 1.212 5.927) 8.227 42.059 ( -6.832 -1.581 8.295) 10.862 ======================= Grid point 19 (14/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 2.474 0.000) 2.474 2.149 ( 0.000 -3.135 -0.000) 3.135 2.248 ( 0.000 4.226 0.000) 4.226 2.306 ( 0.000 0.666 0.000) 0.666 2.376 ( -0.000 0.300 0.000) 0.300 2.391 ( 0.000 -0.713 0.000) 0.713 2.600 ( 0.000 -0.694 -0.000) 0.694 2.638 ( 0.000 -3.356 0.000) 3.356 3.142 ( 0.000 3.717 0.000) 3.717 3.261 ( 0.000 -5.831 0.000) 5.831 3.303 ( 0.000 6.183 -0.000) 6.183 3.445 ( 0.000 -5.370 0.000) 5.370 3.604 ( 0.000 2.179 0.000) 2.179 3.639 ( 0.000 -0.711 -0.000) 0.711 3.723 ( 0.000 1.600 0.000) 1.600 3.746 ( 0.000 -0.076 0.000) 0.076 4.073 ( 0.000 -0.280 -0.000) 0.280 4.085 ( 0.000 -1.361 0.000) 1.361 4.181 ( 0.000 0.884 0.000) 0.884 4.201 ( 0.000 -0.814 0.000) 0.814 5.382 ( 0.000 -1.394 -0.000) 1.394 5.403 ( 0.000 -3.422 0.000) 3.422 5.754 ( 0.000 5.838 0.000) 5.838 5.851 ( 0.000 -0.422 0.000) 0.422 6.023 ( 0.000 9.792 0.000) 9.792 6.282 ( 0.000 -9.447 -0.000) 9.447 6.494 ( 0.000 -0.806 0.000) 0.806 6.503 ( 0.000 -1.651 -0.000) 1.651 6.806 ( 0.000 1.895 -0.000) 1.895 6.818 ( 0.000 1.289 0.000) 1.289 7.880 ( 0.000 5.446 0.000) 5.446 8.064 ( 0.000 -8.379 -0.000) 8.379 8.122 ( 0.000 6.636 0.000) 6.636 8.282 ( 0.000 -6.596 0.000) 6.596 8.441 ( 0.000 1.235 -0.000) 1.235 8.476 ( 0.000 -1.435 0.000) 1.435 10.138 ( 0.000 0.512 0.000) 0.512 10.171 ( 0.000 -1.789 -0.000) 1.789 10.786 ( 0.000 11.896 0.000) 11.896 10.897 ( 0.000 -0.630 0.000) 0.630 10.951 ( 0.000 2.808 -0.000) 2.808 11.159 ( 0.000 -10.389 0.000) 10.389 12.228 ( 0.000 -0.017 -0.000) 0.017 12.241 ( 0.000 -1.066 0.000) 1.066 12.327 ( 0.000 2.667 0.000) 2.667 12.389 ( 0.000 -2.426 0.000) 2.426 13.184 ( -0.000 -0.098 -0.000) 0.098 13.184 ( 0.000 -0.107 0.000) 0.107 13.446 ( 0.000 2.992 0.000) 2.992 13.515 ( 0.000 -2.566 0.000) 2.566 14.355 ( 0.000 1.734 -0.000) 1.734 14.398 ( 0.000 -1.757 -0.000) 1.757 14.567 ( 0.000 1.445 0.000) 1.445 14.600 ( 0.000 -1.202 0.000) 1.202 15.527 ( 0.000 0.637 0.000) 0.637 15.547 ( 0.000 -0.953 0.000) 0.953 15.610 ( 0.000 0.200 0.000) 0.200 15.611 ( 0.000 0.199 -0.000) 0.199 16.676 ( 0.000 1.924 0.000) 1.924 16.721 ( 0.000 -1.581 0.000) 1.581 17.331 ( 0.000 2.723 0.000) 2.723 17.401 ( 0.000 -2.833 0.000) 2.833 18.179 ( 0.000 0.600 0.000) 0.600 18.200 ( 0.000 -1.038 0.000) 1.038 19.581 ( 0.000 0.879 -0.000) 0.879 19.602 ( -0.000 -0.850 -0.000) 0.850 19.608 ( 0.000 1.589 0.000) 1.589 19.648 ( 0.000 -1.678 0.000) 1.678 20.376 ( 0.000 1.916 0.000) 1.916 20.426 ( 0.000 -2.029 -0.000) 2.029 21.082 ( 0.000 3.538 0.000) 3.538 21.197 ( 0.000 -6.359 0.000) 6.359 21.562 ( 0.000 8.118 0.000) 8.118 21.717 ( 0.000 -5.032 0.000) 5.032 21.946 ( 0.000 0.253 0.000) 0.253 21.953 ( 0.000 -0.341 0.000) 0.341 24.348 ( 0.000 0.878 0.000) 0.878 24.367 ( -0.000 -0.652 0.000) 0.652 24.949 ( 0.000 2.577 -0.000) 2.577 25.015 ( 0.000 -2.676 0.000) 2.676 26.111 ( 0.000 0.855 -0.000) 0.855 26.131 ( 0.000 -0.712 -0.000) 0.712 27.092 ( 0.000 0.536 0.000) 0.536 27.107 ( 0.000 -0.645 -0.000) 0.645 27.973 ( 0.000 0.191 0.000) 0.191 27.976 ( 0.000 -0.013 0.000) 0.013 28.148 ( -0.000 0.266 0.000) 0.266 28.156 ( 0.000 -0.341 -0.000) 0.341 30.804 ( 0.000 1.844 0.000) 1.844 30.864 ( 0.000 -3.117 -0.000) 3.117 31.257 ( 0.000 4.497 0.000) 4.497 31.341 ( 0.000 -2.387 0.000) 2.387 31.639 ( 0.000 2.027 0.000) 2.027 31.714 ( 0.000 -4.178 0.000) 4.178 32.439 ( 0.000 6.202 0.000) 6.202 32.580 ( 0.000 -5.167 0.000) 5.167 36.084 ( 0.000 2.580 -0.000) 2.580 36.153 ( 0.000 -2.960 0.000) 2.960 37.572 ( 0.000 10.519 0.000) 10.519 37.885 ( 0.000 -15.763 0.000) 15.763 38.742 ( 0.000 13.910 0.000) 13.910 39.003 ( 0.000 -8.194 -0.000) 8.194 41.059 ( 0.000 0.182 0.000) 0.182 41.068 ( 0.000 -0.581 0.000) 0.581 41.503 ( 0.000 3.420 0.000) 3.420 41.578 ( 0.000 -2.569 0.000) 2.569 41.988 ( -0.000 0.782 0.000) 0.782 42.013 ( 0.000 -1.144 -0.000) 1.144 ======================= Grid point 39 (15/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -15.667 0.000 23.106) 27.917 0.517 ( -3.345 0.000 25.057) 25.280 1.077 ( 7.834 0.000 52.423) 53.005 1.420 ( 6.440 0.000 3.365) 7.266 1.919 ( 1.760 0.000 1.098) 2.074 2.001 ( 5.539 0.000 -13.183) 14.299 2.184 ( 1.902 0.000 0.050) 1.903 2.364 ( -0.581 0.000 -1.185) 1.320 2.530 ( -2.558 0.000 -2.235) 3.397 2.797 ( 1.767 0.000 5.388) 5.670 2.803 ( 0.854 0.000 3.403) 3.508 2.927 ( -2.248 0.000 20.804) 20.925 3.093 ( 7.672 0.000 10.066) 12.656 3.294 ( 2.142 0.000 -0.421) 2.183 3.602 ( -6.900 0.000 -6.742) 9.647 3.688 ( -2.405 0.000 0.168) 2.411 3.875 ( 2.966 0.000 -0.875) 3.092 3.925 ( 3.885 0.000 4.542) 5.977 3.985 ( -0.877 0.000 -2.466) 2.617 4.523 ( -6.012 0.000 -7.909) 9.935 4.664 ( 0.371 0.000 -5.621) 5.633 4.778 ( 4.271 0.000 0.264) 4.280 4.849 ( -6.233 0.000 -13.327) 14.713 5.027 ( -11.245 0.000 9.626) 14.803 5.644 ( -2.982 0.000 -0.295) 2.996 5.687 ( 19.525 0.000 -3.673) 19.868 5.699 ( 1.692 0.000 0.761) 1.855 5.831 ( 4.109 0.000 0.136) 4.111 6.554 ( 2.626 0.000 3.526) 4.396 6.653 ( 0.968 0.000 2.091) 2.304 7.508 ( -10.624 0.000 -7.988) 13.292 7.509 ( -11.331 0.000 -7.697) 13.698 7.834 ( -0.938 0.000 -1.425) 1.706 8.414 ( 5.370 0.000 -2.783) 6.048 8.707 ( 2.585 0.000 -0.706) 2.680 8.872 ( 1.246 0.000 -1.540) 1.981 9.212 ( 3.540 0.000 -0.872) 3.646 9.312 ( 5.100 0.000 0.885) 5.176 9.400 ( 1.047 0.000 9.856) 9.911 9.523 ( 1.377 0.000 10.303) 10.395 11.252 ( -0.253 0.000 0.487) 0.549 11.292 ( 0.064 0.000 -0.062) 0.090 11.298 ( -4.670 0.000 -1.543) 4.918 11.383 ( -4.976 0.000 -1.491) 5.195 11.988 ( -2.688 0.000 -0.944) 2.849 12.050 ( 0.601 0.000 -0.274) 0.660 12.689 ( -1.523 0.000 -5.446) 5.655 12.757 ( 8.352 0.000 -8.298) 11.774 13.794 ( -0.110 0.000 0.490) 0.502 13.895 ( 1.496 0.000 -0.285) 1.523 14.014 ( -4.692 0.000 -0.822) 4.763 14.172 ( -7.891 0.000 -1.190) 7.980 14.286 ( 0.497 0.000 0.265) 0.563 14.352 ( 0.131 0.000 0.152) 0.201 15.217 ( 7.659 0.000 -8.347) 11.328 15.330 ( 6.303 0.000 -8.322) 10.440 16.612 ( -0.274 0.000 -0.306) 0.411 16.689 ( -2.021 0.000 -0.123) 2.025 16.737 ( -3.989 0.000 9.326) 10.143 16.994 ( -11.880 0.000 9.831) 15.420 17.976 ( 0.633 0.000 -2.020) 2.117 18.092 ( 1.416 0.000 -1.768) 2.265 18.456 ( 1.760 0.000 2.345) 2.932 18.529 ( -1.872 0.000 0.351) 1.905 19.803 ( -1.954 0.000 0.968) 2.181 20.106 ( -0.785 0.000 -2.071) 2.215 20.261 ( -0.183 0.000 -0.139) 0.230 20.275 ( -5.617 0.000 -0.233) 5.622 20.709 ( 0.397 0.000 1.366) 1.423 20.737 ( -4.492 0.000 0.096) 4.493 21.230 ( 0.224 0.000 -0.003) 0.224 21.327 ( -0.174 0.000 -0.202) 0.266 21.418 ( 0.522 0.000 1.673) 1.752 21.619 ( 0.023 0.000 0.688) 0.688 22.041 ( 0.675 0.000 -1.959) 2.072 22.120 ( -0.616 0.000 0.582) 0.847 22.569 ( -0.097 0.000 -0.032) 0.102 23.024 ( 0.271 0.000 -2.849) 2.862 26.267 ( 0.721 0.000 4.493) 4.551 26.737 ( 37.136 0.000 -1.703) 37.175 26.997 ( 0.072 0.000 -0.738) 0.742 27.033 ( -0.524 0.000 0.737) 0.905 27.830 ( 0.110 0.000 -0.506) 0.518 27.855 ( 0.701 0.000 1.323) 1.498 27.904 ( 0.015 0.000 1.503) 1.503 27.924 ( -32.397 0.000 -1.282) 32.422 28.604 ( -0.598 0.000 0.869) 1.055 28.656 ( -0.135 0.000 -0.181) 0.226 29.164 ( 0.264 0.000 -0.028) 0.266 29.512 ( -0.601 0.000 -1.351) 1.478 30.238 ( -0.304 0.000 0.426) 0.523 31.312 ( -0.237 0.000 -6.202) 6.206 31.523 ( 2.051 0.000 2.744) 3.426 32.141 ( -0.810 0.000 -1.150) 1.407 32.240 ( -1.603 0.000 3.798) 4.122 32.824 ( -18.846 0.000 0.592) 18.855 35.330 ( -0.824 0.000 -0.032) 0.824 35.463 ( -0.237 0.000 0.732) 0.770 35.844 ( -1.468 0.000 -1.114) 1.843 35.956 ( 40.908 0.000 -0.990) 40.920 37.445 ( -0.341 0.000 0.108) 0.357 38.847 ( 2.043 0.000 -18.812) 18.923 41.443 ( -2.037 0.000 -5.207) 5.591 41.513 ( -1.296 0.000 -10.711) 10.789 41.662 ( 7.724 0.000 -13.542) 15.590 42.159 ( 3.168 0.000 18.231) 18.504 42.500 ( 15.067 0.000 22.447) 27.035 44.094 ( 29.478 0.000 0.078) 29.478 ======================= Grid point 40 (16/100) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 19.600 0.000 16.461) 25.596 0.971 ( 27.030 0.000 15.476) 31.146 1.587 ( 8.403 0.000 3.171) 8.981 1.636 ( 27.173 0.000 30.740) 41.028 1.974 ( 3.956 0.000 3.605) 5.353 2.038 ( 2.567 0.000 -7.133) 7.581 2.388 ( 15.585 0.000 -2.637) 15.807 2.426 ( 4.168 0.000 -3.192) 5.250 2.509 ( 3.354 0.000 -1.436) 3.648 2.826 ( 3.039 0.000 2.931) 4.222 2.889 ( 4.228 0.000 7.816) 8.886 2.963 ( -0.053 0.000 15.989) 15.989 3.407 ( 15.368 0.000 16.715) 22.706 3.536 ( 17.025 0.000 -8.527) 19.041 3.555 ( 5.187 0.000 -6.622) 8.412 3.706 ( 3.974 0.000 1.211) 4.154 3.971 ( 5.598 0.000 1.439) 5.780 3.997 ( 2.456 0.000 -2.848) 3.761 4.076 ( 7.250 0.000 -2.781) 7.765 4.394 ( -3.158 0.000 3.853) 4.982 4.631 ( -5.067 0.000 -13.170) 14.111 4.690 ( 5.373 0.000 -8.952) 10.441 4.958 ( 11.791 0.000 2.865) 12.135 5.090 ( 15.166 0.000 15.340) 21.571 5.722 ( 1.708 0.000 2.767) 3.251 5.783 ( 18.607 0.000 0.287) 18.609 5.908 ( 10.124 0.000 -5.038) 11.308 6.127 ( 23.983 0.000 -0.487) 23.988 6.601 ( -0.041 0.000 6.183) 6.183 6.694 ( 2.465 0.000 3.119) 3.976 7.174 ( -8.682 0.000 -0.119) 8.683 7.332 ( -7.230 0.000 -12.369) 14.327 7.745 ( -7.136 0.000 -2.260) 7.486 8.223 ( -18.395 0.000 -3.132) 18.660 8.745 ( 0.780 0.000 -0.417) 0.885 8.909 ( 2.806 0.000 -0.868) 2.937 9.258 ( 2.283 0.000 1.160) 2.561 9.528 ( 10.427 0.000 -6.200) 12.131 9.534 ( 8.861 0.000 11.740) 14.708 9.658 ( 7.294 0.000 10.198) 12.538 11.124 ( -11.292 0.000 -4.583) 12.186 11.245 ( 0.051 0.000 0.170) 0.177 11.267 ( -9.305 0.000 -9.281) 13.142 11.301 ( 0.385 0.000 -0.093) 0.397 12.008 ( 3.676 0.000 0.258) 3.685 12.116 ( 5.377 0.000 -0.106) 5.378 12.665 ( 1.655 0.000 -7.782) 7.956 12.862 ( 5.756 0.000 -14.309) 15.423 13.735 ( -5.923 0.000 0.586) 5.952 13.845 ( -6.382 0.000 0.879) 6.442 13.963 ( -0.322 0.000 -2.157) 2.181 14.072 ( 0.752 0.000 -2.935) 3.029 14.309 ( 1.545 0.000 0.539) 1.636 14.364 ( 0.796 0.000 -0.312) 0.855 15.340 ( 7.914 0.000 -3.939) 8.840 15.410 ( 6.629 0.000 -3.355) 7.430 16.501 ( -10.716 0.000 0.348) 10.722 16.587 ( -8.898 0.000 -2.035) 9.128 16.705 ( -4.179 0.000 9.391) 10.278 16.800 ( -10.184 0.000 13.947) 17.269 17.936 ( -1.945 0.000 -1.318) 2.350 18.122 ( 1.669 0.000 -1.235) 2.076 18.475 ( -0.916 0.000 2.550) 2.710 18.582 ( 3.188 0.000 -3.549) 4.771 19.906 ( 11.563 0.000 0.048) 11.563 20.173 ( 7.579 0.000 -2.636) 8.025 20.256 ( 0.653 0.000 -0.926) 1.133 20.264 ( 0.741 0.000 -0.606) 0.957 20.643 ( -4.652 0.000 1.198) 4.803 20.746 ( -1.197 0.000 -0.417) 1.268 21.151 ( -8.369 0.000 0.054) 8.369 21.260 ( -6.294 0.000 -0.338) 6.303 21.446 ( 1.499 0.000 0.747) 1.675 21.658 ( 3.031 0.000 1.045) 3.206 22.038 ( -0.469 0.000 -0.854) 0.974 22.111 ( -0.087 0.000 0.009) 0.087 22.602 ( 3.772 0.000 -0.130) 3.774 23.020 ( 1.163 0.000 -2.936) 3.158 26.183 ( -8.895 0.000 4.353) 9.903 26.682 ( -14.939 0.000 3.943) 15.450 26.941 ( -6.056 0.000 -0.726) 6.099 26.989 ( -5.145 0.000 0.775) 5.203 27.799 ( -4.543 0.000 1.495) 4.783 27.896 ( 2.633 0.000 1.414) 2.988 27.938 ( 2.676 0.000 1.557) 3.096 28.078 ( -4.409 0.000 -11.437) 12.258 28.812 ( 26.507 0.000 -2.149) 26.594 29.048 ( -11.517 0.000 0.261) 11.520 29.158 ( 52.227 0.000 -23.564) 57.297 29.338 ( -15.776 0.000 -1.999) 15.902 30.279 ( 4.443 0.000 0.306) 4.453 31.258 ( -1.116 0.000 -6.387) 6.484 31.545 ( -1.486 0.000 4.639) 4.871 32.131 ( -1.876 0.000 2.816) 3.383 32.190 ( -6.163 0.000 5.009) 7.942 32.443 ( -13.586 0.000 13.059) 18.844 35.406 ( 9.044 0.000 0.394) 9.053 35.589 ( 11.366 0.000 0.545) 11.379 35.941 ( 12.048 0.000 -2.192) 12.246 36.802 ( 40.071 0.000 -33.020) 51.923 37.483 ( 4.478 0.000 -0.272) 4.487 38.803 ( 2.797 0.000 -18.761) 18.969 41.363 ( -2.669 0.000 -10.221) 10.564 41.423 ( -3.538 0.000 -7.472) 8.267 41.668 ( -0.074 0.000 -6.451) 6.452 42.228 ( -4.679 0.000 16.478) 17.129 42.705 ( -2.230 0.000 19.303) 19.431 43.896 ( -33.046 0.000 16.749) 37.048 ======================= Grid point 41 (17/100) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 20.873 0.000 10.204) 23.234 1.446 ( 17.904 0.000 15.518) 23.693 1.777 ( 11.339 0.000 1.038) 11.386 1.926 ( 2.813 0.000 -5.358) 6.052 2.118 ( 8.758 0.000 4.036) 9.643 2.273 ( 12.063 0.000 10.491) 15.987 2.437 ( 0.330 0.000 -1.832) 1.861 2.603 ( 4.367 0.000 -1.474) 4.609 2.645 ( 13.824 0.000 1.386) 13.893 2.932 ( 7.587 0.000 0.515) 7.605 3.032 ( 7.042 0.000 7.973) 10.637 3.061 ( -0.054 0.000 15.394) 15.394 3.641 ( 3.807 0.000 -4.542) 5.927 3.646 ( 2.504 0.000 6.617) 7.075 3.775 ( 9.922 0.000 -6.804) 12.031 3.830 ( 7.901 0.000 0.531) 7.919 3.986 ( -2.337 0.000 -7.325) 7.689 4.068 ( -2.513 0.000 -9.235) 9.571 4.095 ( 6.605 0.000 9.083) 11.231 4.449 ( 1.543 0.000 14.207) 14.291 4.660 ( 13.885 0.000 -8.289) 16.171 4.818 ( 11.131 0.000 -6.463) 12.872 5.217 ( 12.460 0.000 -1.692) 12.574 5.491 ( 11.758 0.000 1.829) 11.899 5.907 ( 22.681 0.000 6.167) 23.505 6.180 ( 16.662 0.000 1.410) 16.722 6.254 ( 23.309 0.000 3.171) 23.524 6.622 ( 25.909 0.000 1.848) 25.975 6.630 ( 1.905 0.000 7.264) 7.510 6.806 ( 8.953 0.000 -4.099) 9.847 7.140 ( 4.821 0.000 -4.656) 6.702 7.208 ( 4.800 0.000 -7.542) 8.940 7.607 ( -2.957 0.000 -2.033) 3.589 7.799 ( -22.496 0.000 -1.973) 22.582 8.730 ( -1.561 0.000 -1.998) 2.536 8.929 ( -1.409 0.000 0.576) 1.522 9.352 ( 7.868 0.000 1.636) 8.036 9.668 ( 7.965 0.000 -2.145) 8.249 9.878 ( 17.202 0.000 10.072) 19.934 9.886 ( 17.480 0.000 9.197) 19.752 10.855 ( -13.792 0.000 -6.466) 15.233 10.961 ( -15.977 0.000 -10.711) 19.235 11.271 ( 2.642 0.000 -0.198) 2.649 11.305 ( 0.892 0.000 -0.697) 1.132 12.109 ( 6.025 0.000 0.841) 6.084 12.222 ( 5.509 0.000 0.218) 5.513 12.670 ( 3.410 0.000 -9.426) 10.023 12.863 ( 2.320 0.000 -11.874) 12.098 13.597 ( -8.691 0.000 0.704) 8.719 13.694 ( -9.489 0.000 1.552) 9.615 13.985 ( 4.434 0.000 -2.831) 5.261 14.153 ( 7.523 0.000 -4.942) 9.001 14.342 ( 1.476 0.000 0.222) 1.492 14.374 ( 0.882 0.000 -0.756) 1.162 15.466 ( 6.410 0.000 -1.432) 6.568 15.530 ( 6.847 0.000 -1.080) 6.931 16.237 ( -16.836 0.000 1.188) 16.878 16.333 ( -16.190 0.000 -2.812) 16.432 16.659 ( -4.870 0.000 8.144) 9.489 16.726 ( -4.456 0.000 9.865) 10.825 17.936 ( 2.264 0.000 -0.404) 2.300 18.132 ( -0.275 0.000 -1.267) 1.296 18.447 ( -2.903 0.000 0.937) 3.051 18.589 ( -1.010 0.000 -1.771) 2.039 20.154 ( 11.274 0.000 0.029) 11.274 20.236 ( -2.461 0.000 -0.280) 2.477 20.268 ( 0.523 0.000 -2.349) 2.407 20.272 ( -0.611 0.000 -1.740) 1.845 20.556 ( -4.986 0.000 1.768) 5.290 20.677 ( -5.351 0.000 0.119) 5.353 20.948 ( -11.281 0.000 0.227) 11.283 21.142 ( -3.609 0.000 -0.618) 3.661 21.462 ( -0.507 0.000 0.859) 0.998 21.725 ( 3.062 0.000 1.346) 3.345 22.016 ( -1.509 0.000 -0.286) 1.536 22.106 ( -0.863 0.000 -0.450) 0.973 22.726 ( 10.052 0.000 -0.344) 10.058 23.064 ( 5.738 0.000 -2.673) 6.330 26.054 ( -5.755 0.000 3.442) 6.706 26.430 ( -13.291 0.000 1.571) 13.384 26.742 ( -15.251 0.000 -0.336) 15.255 26.812 ( -14.681 0.000 0.731) 14.700 27.671 ( -9.637 0.000 2.821) 10.041 27.800 ( -16.017 0.000 -1.235) 16.064 27.952 ( 2.355 0.000 0.701) 2.457 28.003 ( 2.928 0.000 1.275) 3.193 28.790 ( -14.691 0.000 0.427) 14.697 28.976 ( -19.550 0.000 -1.912) 19.643 29.421 ( 36.342 0.000 -4.543) 36.625 29.932 ( 39.981 0.000 -24.504) 46.893 30.408 ( 9.230 0.000 0.287) 9.234 31.251 ( 3.838 0.000 -5.202) 6.465 31.516 ( -3.937 0.000 5.554) 6.808 32.045 ( -10.078 0.000 12.475) 16.037 32.119 ( -2.168 0.000 1.480) 2.625 32.387 ( 0.663 0.000 1.133) 1.312 35.635 ( 13.092 0.000 1.380) 13.164 35.832 ( 12.606 0.000 1.248) 12.667 36.249 ( 20.764 0.000 -2.401) 20.902 37.234 ( 24.249 0.000 -26.299) 35.772 37.617 ( 10.156 0.000 -0.685) 10.179 38.783 ( 4.346 0.000 -17.114) 17.657 41.252 ( -3.490 0.000 -11.172) 11.704 41.317 ( -4.557 0.000 -4.593) 6.470 41.634 ( -1.228 0.000 -1.418) 1.875 42.147 ( -10.915 0.000 13.250) 17.166 42.660 ( -10.484 0.000 17.325) 20.250 43.358 ( -32.095 0.000 20.017) 37.825 ======================= Grid point 42 (18/100) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 16.312 0.000 6.120) 17.422 1.823 ( 15.856 0.000 9.301) 18.382 1.974 ( 7.146 0.000 -0.803) 7.191 1.976 ( 5.003 0.000 -2.652) 5.662 2.314 ( 9.153 0.000 4.230) 10.083 2.400 ( 2.132 0.000 1.137) 2.416 2.446 ( -0.031 0.000 1.266) 1.267 2.686 ( 7.916 0.000 -1.554) 8.068 2.871 ( 7.906 0.000 2.686) 8.350 3.028 ( -4.256 0.000 7.572) 8.686 3.178 ( 11.571 0.000 4.538) 12.429 3.206 ( 7.477 0.000 5.031) 9.012 3.607 ( -6.525 0.000 -0.506) 6.545 3.631 ( -0.957 0.000 -6.261) 6.334 3.808 ( -8.086 0.000 -12.588) 14.961 3.855 ( 3.127 0.000 -4.517) 5.494 3.970 ( 5.731 0.000 -0.510) 5.753 4.066 ( 3.191 0.000 0.615) 3.250 4.257 ( 2.967 0.000 9.708) 10.151 4.508 ( -3.363 0.000 16.161) 16.507 4.978 ( 21.682 0.000 -6.331) 22.587 5.027 ( 13.674 0.000 -4.977) 14.551 5.369 ( 5.607 0.000 -2.929) 6.326 5.548 ( -1.026 0.000 -0.429) 1.112 6.267 ( -3.522 0.000 -0.263) 3.532 6.412 ( 15.852 0.000 1.752) 15.949 6.498 ( 3.208 0.000 6.775) 7.496 6.747 ( 1.129 0.000 8.071) 8.149 6.748 ( -4.053 0.000 -9.097) 9.959 7.123 ( -12.138 0.000 -5.896) 13.495 7.214 ( 28.218 0.000 -0.100) 28.218 7.570 ( 27.304 0.000 0.944) 27.321 7.609 ( 10.198 0.000 2.077) 10.407 7.791 ( 23.133 0.000 -0.876) 23.149 8.669 ( -3.931 0.000 -2.155) 4.483 8.854 ( -6.768 0.000 0.993) 6.841 9.608 ( 19.047 0.000 1.388) 19.098 9.849 ( 12.685 0.000 0.264) 12.688 10.192 ( 16.950 0.000 6.233) 18.059 10.465 ( 32.399 0.000 6.787) 33.103 10.582 ( -10.846 0.000 -5.247) 12.048 10.639 ( -11.696 0.000 -8.415) 14.408 11.323 ( 5.458 0.000 -0.566) 5.487 11.393 ( 8.931 0.000 -1.651) 9.082 12.217 ( 4.280 0.000 1.243) 4.457 12.313 ( 3.991 0.000 0.009) 3.991 12.726 ( 8.349 0.000 -9.902) 12.952 12.884 ( 6.307 0.000 -9.990) 11.814 13.427 ( -9.296 0.000 0.626) 9.317 13.526 ( -8.657 0.000 1.455) 8.779 14.090 ( 7.538 0.000 -3.996) 8.532 14.258 ( 5.348 0.000 -4.241) 6.825 14.365 ( 1.595 0.000 -0.682) 1.734 14.410 ( 3.184 0.000 -0.046) 3.185 15.556 ( 3.293 0.000 1.377) 3.569 15.655 ( 6.049 0.000 1.288) 6.185 15.918 ( -16.581 0.000 1.556) 16.654 15.989 ( -17.808 0.000 -2.501) 17.983 16.618 ( -2.638 0.000 5.948) 6.507 16.700 ( -2.834 0.000 7.303) 7.834 17.978 ( 0.408 0.000 0.468) 0.621 18.079 ( -5.350 0.000 -1.848) 5.660 18.376 ( -4.626 0.000 -0.665) 4.674 18.527 ( -4.552 0.000 -2.428) 5.159 20.113 ( -14.216 0.000 -0.914) 14.246 20.135 ( -9.116 0.000 0.185) 9.117 20.168 ( -11.588 0.000 -0.600) 11.604 20.200 ( -6.125 0.000 -0.609) 6.155 20.495 ( -2.023 0.000 1.231) 2.368 20.562 ( -6.806 0.000 0.932) 6.870 20.858 ( 3.155 0.000 0.591) 3.210 21.166 ( 5.304 0.000 -0.497) 5.327 21.438 ( -2.197 0.000 1.355) 2.581 21.778 ( 1.841 0.000 1.327) 2.269 21.984 ( -1.546 0.000 -0.294) 1.574 22.065 ( -3.244 0.000 -0.123) 3.247 22.995 ( 18.952 0.000 -0.634) 18.963 23.235 ( 14.045 0.000 -2.111) 14.203 26.010 ( -0.432 0.000 2.432) 2.470 26.217 ( -8.780 0.000 -0.447) 8.791 26.364 ( -24.304 0.000 0.037) 24.304 26.443 ( -24.070 0.000 0.379) 24.073 27.486 ( -10.725 0.000 2.561) 11.026 27.527 ( -13.084 0.000 1.740) 13.199 27.983 ( 0.706 0.000 0.292) 0.764 28.045 ( 0.786 0.000 0.985) 1.260 28.529 ( -12.713 0.000 0.070) 12.713 28.633 ( -15.724 0.000 -0.955) 15.753 30.047 ( 30.528 0.000 -3.798) 30.763 30.444 ( 24.727 0.000 -15.056) 28.950 30.627 ( 13.464 0.000 0.298) 13.468 31.357 ( 9.249 0.000 -3.948) 10.056 31.461 ( -4.189 0.000 4.817) 6.383 31.913 ( -9.560 0.000 10.223) 13.997 32.112 ( 1.049 0.000 0.921) 1.396 32.422 ( 3.662 0.000 -4.638) 5.909 35.861 ( 9.421 0.000 1.374) 9.521 36.041 ( 8.210 0.000 2.493) 8.580 36.661 ( 22.946 0.000 -1.618) 23.003 37.537 ( 19.576 0.000 -17.804) 26.461 37.857 ( 15.138 0.000 -0.550) 15.148 38.811 ( 6.499 0.000 -14.370) 15.771 41.138 ( -3.206 0.000 -8.957) 9.513 41.212 ( -4.599 0.000 -2.578) 5.272 41.611 ( -0.696 0.000 -0.773) 1.040 41.964 ( -13.493 0.000 9.500) 16.502 42.504 ( -13.094 0.000 12.887) 18.372 42.880 ( -27.256 0.000 14.740) 30.986 ======================= Grid point 43 (19/100) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 12.529 0.000 3.413) 12.985 2.038 ( 2.068 0.000 -1.009) 2.301 2.060 ( 4.926 0.000 1.705) 5.213 2.129 ( 11.192 0.000 3.199) 11.640 2.402 ( -4.056 0.000 1.848) 4.458 2.444 ( 3.872 0.000 -1.588) 4.185 2.462 ( 3.317 0.000 1.822) 3.784 2.924 ( 14.731 0.000 2.834) 15.001 2.934 ( -7.558 0.000 4.325) 8.708 2.994 ( 4.334 0.000 3.073) 5.313 3.347 ( 6.045 0.000 -0.019) 6.045 3.418 ( 10.851 0.000 2.384) 11.110 3.451 ( -7.255 0.000 -5.505) 9.107 3.589 ( -0.165 0.000 -6.466) 6.468 3.616 ( -5.214 0.000 -9.919) 11.206 3.863 ( -0.831 0.000 -2.162) 2.316 4.047 ( 2.784 0.000 1.183) 3.025 4.150 ( 3.195 0.000 5.648) 6.490 4.263 ( -4.960 0.000 4.247) 6.530 4.474 ( -7.320 0.000 12.181) 14.211 5.278 ( 14.621 0.000 -2.527) 14.837 5.362 ( 20.432 0.000 -4.970) 21.028 5.419 ( 1.839 0.000 -5.155) 5.473 5.506 ( -2.794 0.000 -1.042) 2.982 6.134 ( -8.072 0.000 -0.085) 8.072 6.498 ( -3.084 0.000 -3.829) 4.916 6.507 ( -3.291 0.000 -0.890) 3.409 6.688 ( 2.095 0.000 -1.099) 2.366 6.778 ( -5.096 0.000 5.303) 7.354 6.824 ( -8.058 0.000 -0.576) 8.078 7.613 ( 14.089 0.000 0.742) 14.109 7.892 ( 11.562 0.000 2.832) 11.904 8.031 ( 18.301 0.000 4.055) 18.745 8.200 ( 15.653 0.000 -2.297) 15.821 8.555 ( -7.395 0.000 -1.263) 7.502 8.696 ( -9.524 0.000 -0.434) 9.534 9.998 ( 16.310 0.000 -1.765) 16.405 10.125 ( 11.801 0.000 0.417) 11.808 10.488 ( 6.189 0.000 1.370) 6.339 10.502 ( 10.513 0.000 4.182) 11.314 10.525 ( 5.291 0.000 -1.064) 5.397 11.006 ( 18.966 0.000 1.207) 19.004 11.589 ( 23.844 0.000 -1.727) 23.906 11.646 ( 19.701 0.000 -0.657) 19.712 12.264 ( 0.524 0.000 0.229) 0.572 12.374 ( 2.568 0.000 -0.054) 2.569 12.922 ( 17.006 0.000 -8.198) 18.878 13.024 ( 12.993 0.000 -7.906) 15.209 13.271 ( -7.009 0.000 0.489) 7.026 13.385 ( -6.986 0.000 0.659) 7.017 14.201 ( 6.174 0.000 -5.341) 8.164 14.307 ( 1.912 0.000 -3.680) 4.147 14.413 ( 3.894 0.000 -0.241) 3.902 14.494 ( 5.646 0.000 0.278) 5.653 15.609 ( 0.918 0.000 4.453) 4.546 15.666 ( -9.895 0.000 0.872) 9.933 15.685 ( -12.056 0.000 -1.535) 12.154 15.745 ( 1.315 0.000 4.441) 4.631 16.622 ( 0.345 0.000 4.740) 4.752 16.696 ( -0.400 0.000 5.559) 5.574 17.857 ( -15.058 0.000 -0.002) 15.058 17.921 ( -10.302 0.000 -1.109) 10.361 18.267 ( -5.925 0.000 -2.597) 6.469 18.398 ( -7.145 0.000 -4.233) 8.305 19.821 ( -14.240 0.000 -0.279) 14.242 19.870 ( -15.228 0.000 -0.734) 15.246 19.911 ( -13.457 0.000 0.818) 13.482 20.037 ( -11.455 0.000 0.839) 11.486 20.441 ( -5.267 0.000 0.677) 5.311 20.480 ( -1.044 0.000 0.284) 1.082 20.963 ( 5.094 0.000 0.690) 5.140 21.272 ( 5.001 0.000 0.064) 5.001 21.406 ( -1.614 0.000 1.430) 2.157 21.802 ( 0.015 0.000 0.899) 0.899 21.958 ( -0.987 0.000 -0.351) 1.048 22.001 ( -2.921 0.000 0.191) 2.927 23.425 ( 26.461 0.000 -0.938) 26.477 23.575 ( 22.408 0.000 -1.146) 22.437 25.855 ( -28.928 0.000 0.287) 28.930 25.940 ( -28.624 0.000 0.106) 28.624 26.048 ( 2.893 0.000 1.558) 3.286 26.109 ( -2.508 0.000 -1.063) 2.724 27.304 ( -9.729 0.000 1.525) 9.848 27.318 ( -9.664 0.000 1.466) 9.775 27.985 ( -0.428 0.000 0.124) 0.446 28.044 ( -1.183 0.000 0.920) 1.499 28.319 ( -9.299 0.000 -0.435) 9.309 28.375 ( -11.388 0.000 -0.009) 11.388 30.496 ( 18.032 0.000 -1.484) 18.093 30.737 ( 12.280 0.000 -6.895) 14.083 30.892 ( 13.632 0.000 0.356) 13.637 31.416 ( -2.412 0.000 3.092) 3.922 31.534 ( 10.463 0.000 -2.965) 10.875 31.783 ( -8.024 0.000 5.738) 9.864 32.174 ( 5.200 0.000 -0.149) 5.202 32.483 ( 5.374 0.000 -5.828) 7.928 35.993 ( 4.274 0.000 0.564) 4.311 36.162 ( 3.438 0.000 3.046) 4.593 37.060 ( 19.012 0.000 -0.372) 19.016 37.808 ( 16.009 0.000 -10.185) 18.974 38.152 ( 15.232 0.000 0.035) 15.232 38.887 ( 7.599 0.000 -10.739) 13.156 41.057 ( -1.479 0.000 -5.891) 6.074 41.124 ( -3.637 0.000 -1.221) 3.837 41.600 ( 0.013 0.000 -1.497) 1.497 41.750 ( -12.538 0.000 5.797) 13.813 42.301 ( -13.573 0.000 7.874) 15.692 42.484 ( -20.201 0.000 9.062) 22.140 ======================= Grid point 44 (20/100) ======================= q-point: ( 0.42 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 1.146 0.000 2.482) 2.733 2.139 ( 3.130 0.000 0.859) 3.246 2.183 ( 7.880 0.000 0.056) 7.880 2.271 ( 2.371 0.000 2.583) 3.506 2.332 ( -2.167 0.000 0.733) 2.288 2.471 ( -2.860 0.000 0.372) 2.884 2.539 ( 5.749 0.000 -1.355) 5.907 2.803 ( -7.417 0.000 1.052) 7.491 3.076 ( 2.810 0.000 3.304) 4.338 3.158 ( 6.437 0.000 0.964) 6.509 3.314 ( -2.963 0.000 -7.929) 8.465 3.430 ( 4.624 0.000 -1.884) 4.993 3.526 ( 0.766 0.000 -4.494) 4.559 3.594 ( 6.850 0.000 -0.657) 6.881 3.610 ( 3.293 0.000 -1.611) 3.666 3.804 ( -3.743 0.000 -1.050) 3.887 4.098 ( 1.266 0.000 4.247) 4.432 4.172 ( -4.782 0.000 1.869) 5.134 4.214 ( 0.388 0.000 5.485) 5.499 4.348 ( -9.661 0.000 3.503) 10.276 5.392 ( -1.455 0.000 -7.534) 7.673 5.456 ( -0.784 0.000 -2.217) 2.352 5.536 ( 12.372 0.000 0.940) 12.408 5.647 ( 10.688 0.000 -2.468) 10.969 5.996 ( -5.669 0.000 -2.111) 6.049 6.392 ( -4.358 0.000 -6.088) 7.487 6.445 ( -0.042 0.000 -6.928) 6.928 6.559 ( -8.799 0.000 -6.569) 10.980 6.773 ( 4.509 0.000 5.619) 7.204 6.869 ( 1.095 0.000 9.927) 9.987 7.791 ( 5.182 0.000 2.140) 5.607 8.030 ( 2.779 0.000 2.451) 3.706 8.262 ( 0.748 0.000 4.480) 4.542 8.343 ( 3.119 0.000 -3.537) 4.716 8.399 ( -4.046 0.000 -2.405) 4.707 8.535 ( -5.733 0.000 -1.481) 5.922 10.130 ( 2.654 0.000 0.335) 2.675 10.226 ( 1.942 0.000 4.683) 5.070 10.609 ( 0.817 0.000 2.114) 2.266 10.773 ( 14.357 0.000 3.451) 14.765 10.789 ( 15.477 0.000 3.135) 15.791 11.216 ( 5.782 0.000 -2.117) 6.157 12.030 ( 20.641 0.000 -4.241) 21.072 12.063 ( 18.954 0.000 1.387) 19.005 12.264 ( 0.045 0.000 -0.055) 0.071 12.412 ( 1.358 0.000 0.445) 1.429 13.182 ( -2.432 0.000 0.114) 2.435 13.227 ( 14.926 0.000 -5.156) 15.791 13.267 ( -5.621 0.000 -0.494) 5.642 13.283 ( 17.668 0.000 -6.974) 18.995 14.268 ( 3.542 0.000 -5.616) 6.640 14.313 ( 1.791 0.000 -4.694) 5.024 14.498 ( 4.413 0.000 0.442) 4.435 14.601 ( 4.079 0.000 0.802) 4.157 15.558 ( -0.208 0.000 -1.647) 1.661 15.583 ( 0.321 0.000 0.838) 0.898 15.629 ( -1.916 0.000 7.733) 7.967 15.734 ( -5.139 0.000 7.897) 9.422 16.664 ( 1.206 0.000 4.244) 4.412 16.740 ( 2.001 0.000 4.637) 5.051 17.509 ( -18.757 0.000 -0.123) 18.757 17.637 ( -17.209 0.000 -0.390) 17.214 18.152 ( -3.400 0.000 -4.189) 5.395 18.243 ( -5.948 0.000 -4.966) 7.748 19.624 ( -6.265 0.000 -0.021) 6.265 19.663 ( -6.298 0.000 -0.567) 6.323 19.686 ( -9.673 0.000 0.270) 9.677 19.805 ( -11.930 0.000 0.450) 11.938 20.371 ( -2.295 0.000 -0.107) 2.298 20.462 ( -0.916 0.000 0.069) 0.918 21.030 ( 1.851 0.000 0.776) 2.007 21.340 ( 2.108 0.000 0.129) 2.112 21.391 ( -0.720 0.000 0.984) 1.219 21.792 ( -1.052 0.000 0.360) 1.112 21.945 ( -0.312 0.000 -0.089) 0.324 21.966 ( -1.027 0.000 -0.001) 1.027 23.947 ( 28.313 0.000 -1.274) 28.342 24.037 ( 25.460 0.000 0.080) 25.460 25.308 ( -28.341 0.000 0.514) 28.345 25.397 ( -27.831 0.000 -0.003) 27.831 26.089 ( 0.480 0.000 -0.660) 0.816 26.115 ( 2.644 0.000 0.245) 2.655 27.147 ( -6.580 0.000 -0.243) 6.585 27.177 ( -5.847 0.000 0.558) 5.873 27.974 ( -0.613 0.000 0.147) 0.631 28.014 ( -2.260 0.000 0.920) 2.440 28.183 ( -4.684 0.000 -0.530) 4.714 28.213 ( -5.607 0.000 0.271) 5.613 30.723 ( 7.110 0.000 0.139) 7.112 30.865 ( 4.459 0.000 -1.898) 4.846 31.110 ( 8.431 0.000 0.414) 8.441 31.393 ( -1.431 0.000 1.388) 1.994 31.674 ( -5.093 0.000 1.617) 5.344 31.693 ( 7.004 0.000 -2.192) 7.339 32.284 ( 5.761 0.000 -0.651) 5.798 32.561 ( 5.072 0.000 -4.076) 6.507 36.040 ( 1.053 0.000 -0.295) 1.094 36.211 ( 0.556 0.000 2.815) 2.869 37.346 ( 10.792 0.000 0.674) 10.813 38.036 ( 11.286 0.000 -3.226) 11.738 38.391 ( 9.235 0.000 0.106) 9.235 38.985 ( 6.804 0.000 -6.517) 9.421 41.034 ( 1.321 0.000 -2.737) 3.039 41.070 ( -1.575 0.000 -0.119) 1.579 41.564 ( -8.924 0.000 2.323) 9.222 41.595 ( 0.297 0.000 -1.943) 1.965 42.082 ( -11.291 0.000 2.639) 11.595 42.212 ( -12.306 0.000 3.941) 12.922 ======================= Grid point 45 (21/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -0.136 0.000 2.885) 2.888 2.185 ( 0.774 0.000 0.042) 0.775 2.226 ( -0.705 0.000 0.357) 0.790 2.262 ( -3.403 0.000 1.242) 3.622 2.344 ( -4.019 0.000 -3.889) 5.593 2.408 ( 1.837 0.000 0.937) 2.062 2.607 ( 1.921 0.000 -1.334) 2.339 2.673 ( -6.054 0.000 -1.285) 6.189 3.092 ( -1.902 0.000 -2.070) 2.811 3.164 ( -2.772 0.000 -4.262) 5.084 3.307 ( 4.912 0.000 -3.491) 6.026 3.514 ( 0.123 0.000 -0.088) 0.151 3.578 ( 6.869 0.000 3.885) 7.892 3.653 ( 1.334 0.000 -5.638) 5.794 3.701 ( 5.564 0.000 4.016) 6.862 3.760 ( -0.884 0.000 1.248) 1.529 4.112 ( -3.291 0.000 -1.096) 3.469 4.131 ( -0.250 0.000 5.159) 5.165 4.171 ( -7.233 0.000 -2.378) 7.614 4.210 ( -2.794 0.000 3.505) 4.482 5.324 ( -0.924 0.000 -8.619) 8.668 5.454 ( 1.552 0.000 -3.760) 4.068 5.690 ( 0.813 0.000 2.707) 2.826 5.765 ( 4.237 0.000 0.915) 4.335 5.915 ( -0.839 0.000 -4.055) 4.141 6.295 ( -1.654 0.000 -9.477) 9.620 6.408 ( -3.291 0.000 -8.100) 8.743 6.432 ( 0.850 0.000 -6.816) 6.868 6.873 ( 1.829 0.000 8.293) 8.493 6.933 ( 0.588 0.000 10.111) 10.128 7.854 ( 0.227 0.000 2.546) 2.556 8.055 ( -0.841 0.000 2.251) 2.403 8.131 ( -6.139 0.000 -2.832) 6.761 8.350 ( 0.159 0.000 -3.408) 3.412 8.405 ( -0.306 0.000 -1.224) 1.262 8.511 ( 2.812 0.000 1.401) 3.141 10.187 ( 2.275 0.000 5.047) 5.536 10.299 ( 2.125 0.000 8.262) 8.531 10.600 ( -1.907 0.000 0.474) 1.965 10.940 ( 0.985 0.000 4.122) 4.238 10.964 ( 0.634 0.000 3.344) 3.404 11.244 ( -0.984 0.000 -4.059) 4.176 12.192 ( -1.598 0.000 -3.309) 3.675 12.274 ( 0.658 0.000 1.051) 1.240 12.297 ( 3.149 0.000 0.609) 3.208 12.428 ( -0.016 0.000 0.928) 0.929 13.168 ( -2.871 0.000 -1.707) 3.340 13.177 ( 0.719 0.000 -0.853) 1.116 13.365 ( 1.524 0.000 -4.147) 4.418 13.493 ( 4.165 0.000 -5.388) 6.810 14.289 ( 2.360 0.000 -4.088) 4.720 14.363 ( 5.409 0.000 -5.486) 7.704 14.553 ( 0.275 0.000 0.471) 0.546 14.622 ( -1.813 0.000 0.682) 1.937 15.589 ( 0.868 0.000 -0.903) 1.252 15.616 ( -3.142 0.000 8.944) 9.480 15.622 ( 0.873 0.000 0.728) 1.137 15.660 ( -6.687 0.000 9.456) 11.581 16.680 ( -1.450 0.000 3.090) 3.414 16.784 ( -0.245 0.000 4.428) 4.434 17.299 ( 0.063 0.000 0.199) 0.209 17.436 ( 0.348 0.000 -0.073) 0.356 18.141 ( 3.673 0.000 -3.311) 4.945 18.180 ( 3.109 0.000 -3.603) 4.759 19.564 ( -0.426 0.000 -0.524) 0.675 19.573 ( -1.864 0.000 -1.385) 2.323 19.618 ( 1.103 0.000 0.403) 1.174 19.653 ( -2.329 0.000 -1.614) 2.834 20.349 ( -0.053 0.000 -0.340) 0.344 20.451 ( -0.169 0.000 -0.147) 0.224 21.050 ( 0.030 0.000 0.927) 0.927 21.356 ( -0.286 0.000 -0.122) 0.311 21.384 ( -0.507 0.000 0.567) 0.761 21.778 ( -0.417 0.000 0.089) 0.426 21.942 ( -0.041 0.000 -0.111) 0.119 21.956 ( -0.068 0.000 -0.216) 0.226 24.329 ( 0.858 0.000 -0.575) 1.033 24.380 ( 1.451 0.000 0.435) 1.515 24.919 ( -2.432 0.000 0.198) 2.440 25.051 ( 1.029 0.000 0.189) 1.046 26.087 ( -0.689 0.000 -1.346) 1.513 26.137 ( -0.537 0.000 -0.384) 0.661 27.071 ( -0.756 0.000 -1.221) 1.436 27.111 ( -0.986 0.000 -0.533) 1.121 27.972 ( 0.324 0.000 0.278) 0.427 27.985 ( -0.695 0.000 0.863) 1.108 28.144 ( 0.797 0.000 -0.089) 0.802 28.160 ( -0.475 0.000 -0.073) 0.481 30.787 ( 0.030 0.000 0.404) 0.405 30.921 ( 2.346 0.000 0.773) 2.470 31.193 ( -0.093 0.000 0.429) 0.439 31.366 ( -1.855 0.000 -0.008) 1.855 31.609 ( -2.072 0.000 -0.928) 2.270 31.761 ( 0.960 0.000 -1.635) 1.896 32.349 ( 0.733 0.000 -0.462) 0.866 32.626 ( 2.995 0.000 -1.625) 3.407 36.040 ( -0.578 0.000 -0.947) 1.110 36.218 ( -0.886 0.000 2.389) 2.548 37.460 ( 0.594 0.000 1.459) 1.576 38.193 ( 5.411 0.000 2.354) 5.901 38.478 ( -0.171 0.000 -0.320) 0.363 39.072 ( 4.373 0.000 -2.754) 5.167 41.070 ( 1.340 0.000 1.091) 1.728 41.084 ( 4.507 0.000 0.722) 4.565 41.446 ( -3.786 0.000 -0.951) 3.904 41.595 ( 0.749 0.000 -1.340) 1.535 41.928 ( -4.665 0.000 -3.749) 5.984 42.037 ( -7.437 0.000 -0.371) 7.447 ======================= Grid point 46 (22/100) ======================= q-point: (-0.42 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -5.836 0.000 0.558) 5.862 2.098 ( -9.283 0.000 -3.388) 9.882 2.167 ( -5.145 0.000 0.198) 5.149 2.213 ( -3.149 0.000 0.823) 3.255 2.244 ( -0.741 0.000 -4.415) 4.477 2.461 ( 1.666 0.000 -0.255) 1.685 2.561 ( -4.639 0.000 -0.830) 4.713 2.616 ( 0.401 0.000 -4.665) 4.682 3.043 ( -0.988 0.000 -2.531) 2.717 3.045 ( -8.125 0.000 -2.836) 8.606 3.369 ( 0.717 0.000 -2.964) 3.049 3.461 ( -5.266 0.000 -0.215) 5.271 3.641 ( 0.537 0.000 -2.341) 2.402 3.722 ( -2.325 0.000 -11.213) 11.451 3.737 ( 6.027 0.000 6.951) 9.200 3.847 ( 6.354 0.000 8.908) 10.941 4.002 ( -2.090 0.000 -3.818) 4.352 4.124 ( -2.443 0.000 2.897) 3.790 4.132 ( -0.351 0.000 1.872) 1.905 4.175 ( -1.860 0.000 3.522) 3.983 5.292 ( 2.245 0.000 -9.131) 9.403 5.456 ( 0.218 0.000 -5.226) 5.231 5.632 ( -7.543 0.000 4.605) 8.837 5.773 ( -5.701 0.000 1.662) 5.938 5.946 ( 5.818 0.000 -2.861) 6.484 6.260 ( 3.644 0.000 -11.342) 11.913 6.376 ( -3.237 0.000 -5.929) 6.756 6.385 ( 5.511 0.000 -6.710) 8.683 6.921 ( -0.162 0.000 9.140) 9.141 6.979 ( -0.553 0.000 8.647) 8.665 7.826 ( -4.307 0.000 3.840) 5.770 8.018 ( -4.537 0.000 1.965) 4.944 8.055 ( -3.204 0.000 -5.057) 5.987 8.314 ( -3.312 0.000 -2.920) 4.415 8.428 ( 4.791 0.000 -0.413) 4.809 8.581 ( 3.874 0.000 0.246) 3.882 10.231 ( -2.172 0.000 3.609) 4.212 10.317 ( -6.682 0.000 4.888) 8.278 10.542 ( -4.799 0.000 -0.602) 4.837 10.872 ( -9.625 0.000 7.168) 12.001 10.903 ( -5.687 0.000 9.612) 11.168 11.136 ( -8.701 0.000 -5.635) 10.367 11.972 ( -18.944 0.000 -3.123) 19.200 12.143 ( -18.880 0.000 1.126) 18.914 12.285 ( -0.679 0.000 1.659) 1.792 12.418 ( -1.574 0.000 0.811) 1.770 13.139 ( 2.000 0.000 -1.726) 2.642 13.223 ( 4.040 0.000 -2.065) 4.537 13.268 ( -8.155 0.000 -3.805) 8.999 13.384 ( -10.913 0.000 -2.924) 11.298 14.335 ( 4.157 0.000 -3.032) 5.145 14.429 ( 2.642 0.000 -1.788) 3.190 14.499 ( -5.090 0.000 0.538) 5.119 14.567 ( -4.194 0.000 -0.623) 4.241 15.546 ( -9.351 0.000 4.687) 10.460 15.560 ( -0.761 0.000 -0.325) 0.828 15.600 ( -3.068 0.000 4.791) 5.690 15.633 ( 2.309 0.000 1.642) 2.833 16.672 ( -0.169 0.000 3.814) 3.818 16.778 ( -2.027 0.000 5.308) 5.682 17.510 ( 18.378 0.000 -0.115) 18.378 17.650 ( 18.091 0.000 0.119) 18.092 18.225 ( 5.995 0.000 -0.985) 6.076 18.308 ( 8.969 0.000 -1.850) 9.157 19.612 ( 6.425 0.000 -0.376) 6.436 19.621 ( 8.560 0.000 -2.185) 8.835 19.699 ( 7.392 0.000 0.721) 7.427 19.726 ( 10.542 0.000 -2.737) 10.891 20.365 ( 2.056 0.000 -0.290) 2.076 20.456 ( 0.781 0.000 -0.289) 0.833 21.042 ( -1.629 0.000 1.288) 2.076 21.330 ( -2.392 0.000 -0.312) 2.412 21.378 ( -0.299 0.000 0.468) 0.556 21.775 ( -0.060 0.000 -0.215) 0.223 21.949 ( 1.132 0.000 -0.109) 1.137 21.958 ( 0.408 0.000 -0.339) 0.531 23.979 ( -27.082 0.000 -0.278) 27.083 24.049 ( -25.477 0.000 0.874) 25.492 25.285 ( 29.122 0.000 -0.398) 29.124 25.411 ( 27.412 0.000 0.531) 27.417 26.036 ( -3.666 0.000 -2.666) 4.533 26.104 ( -1.892 0.000 -1.090) 2.184 27.107 ( 4.920 0.000 -1.256) 5.078 27.141 ( 4.504 0.000 -0.861) 4.586 27.978 ( 0.255 0.000 0.197) 0.322 28.005 ( 1.646 0.000 0.614) 1.756 28.191 ( 4.125 0.000 -0.241) 4.132 28.218 ( 7.025 0.000 0.539) 7.046 30.741 ( -5.309 0.000 0.736) 5.360 30.968 ( 1.754 0.000 2.087) 2.726 31.110 ( -8.579 0.000 0.436) 8.590 31.325 ( -2.068 0.000 -0.762) 2.204 31.579 ( -0.484 0.000 -2.626) 2.670 31.713 ( -5.102 0.000 -1.397) 5.290 32.305 ( -4.800 0.000 0.033) 4.800 32.648 ( -0.416 0.000 -0.211) 0.466 36.010 ( -2.180 0.000 -1.341) 2.559 36.202 ( -2.043 0.000 2.189) 2.994 37.383 ( -9.549 0.000 2.101) 9.777 38.255 ( -0.883 0.000 5.304) 5.377 38.388 ( -8.859 0.000 -0.185) 8.861 39.114 ( 0.916 0.000 -1.177) 1.491 41.133 ( 4.400 0.000 2.630) 5.126 41.211 ( 7.575 0.000 4.897) 9.020 41.413 ( 1.399 0.000 -3.960) 4.200 41.615 ( 1.283 0.000 0.376) 1.337 41.866 ( 1.770 0.000 -10.804) 10.948 41.926 ( -3.102 0.000 -4.877) 5.780 ======================= Grid point 47 (23/100) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -19.042 0.000 -8.684) 20.929 1.837 ( -14.499 0.000 -2.696) 14.747 2.138 ( -4.402 0.000 1.080) 4.532 2.144 ( -0.744 0.000 -0.365) 0.829 2.172 ( -6.182 0.000 -3.001) 6.872 2.471 ( -0.045 0.000 -0.107) 0.116 2.485 ( -3.231 0.000 -0.336) 3.249 2.590 ( -1.501 0.000 -4.582) 4.821 2.852 ( -10.023 0.000 -0.959) 10.069 3.026 ( -0.240 0.000 -3.615) 3.623 3.287 ( -6.843 0.000 -1.454) 6.996 3.320 ( -9.442 0.000 0.057) 9.443 3.562 ( -5.410 0.000 -11.303) 12.531 3.688 ( 5.281 0.000 -12.535) 13.601 3.830 ( -0.244 0.000 6.125) 6.130 4.002 ( 0.313 0.000 1.722) 1.750 4.008 ( 6.015 0.000 8.027) 10.031 4.112 ( -0.383 0.000 4.556) 4.572 4.146 ( 0.856 0.000 4.432) 4.514 4.165 ( -0.418 0.000 2.332) 2.369 5.316 ( 3.721 0.000 -8.638) 9.406 5.406 ( -1.920 0.000 -6.676) 6.947 5.459 ( -13.334 0.000 4.607) 14.108 5.560 ( -16.329 0.000 2.629) 16.539 6.060 ( 6.151 0.000 -3.108) 6.892 6.301 ( -1.023 0.000 -5.987) 6.074 6.345 ( 10.221 0.000 -8.296) 13.164 6.548 ( 11.114 0.000 -2.316) 11.353 6.990 ( 3.492 0.000 8.792) 9.460 7.000 ( 0.826 0.000 4.820) 4.891 7.665 ( -16.713 0.000 1.406) 16.772 7.871 ( -12.754 0.000 1.085) 12.800 7.900 ( -11.614 0.000 -0.557) 11.628 8.148 ( -14.326 0.000 -1.708) 14.428 8.571 ( 8.790 0.000 0.186) 8.792 8.672 ( 6.613 0.000 -1.697) 6.827 9.998 ( -23.715 0.000 -1.280) 23.750 10.065 ( -16.674 0.000 -1.728) 16.763 10.366 ( -14.787 0.000 -1.140) 14.831 10.799 ( -26.036 0.000 -7.661) 27.140 10.819 ( 0.830 0.000 13.300) 13.326 10.941 ( 3.594 0.000 14.289) 14.734 11.554 ( -19.110 0.000 -1.611) 19.178 11.733 ( -20.928 0.000 1.367) 20.972 12.251 ( -3.483 0.000 0.367) 3.503 12.374 ( -3.385 0.000 0.153) 3.389 13.085 ( -8.633 0.000 -2.314) 8.937 13.172 ( -8.637 0.000 -0.956) 8.690 13.224 ( 7.340 0.000 -1.325) 7.459 13.310 ( 6.332 0.000 -2.390) 6.768 14.405 ( 3.308 0.000 -1.004) 3.457 14.413 ( -3.477 0.000 -0.141) 3.480 14.434 ( -1.760 0.000 3.194) 3.647 14.469 ( -4.984 0.000 -0.704) 5.033 15.366 ( -8.639 0.000 -5.264) 10.117 15.515 ( -7.069 0.000 -1.136) 7.160 15.638 ( 9.469 0.000 -0.073) 9.469 15.784 ( 12.667 0.000 2.169) 12.852 16.713 ( 1.467 0.000 6.342) 6.510 16.776 ( -1.383 0.000 7.552) 7.678 17.828 ( 12.688 0.000 -1.120) 12.737 17.963 ( 12.623 0.000 0.424) 12.630 18.323 ( 4.222 0.000 -0.118) 4.223 18.441 ( 5.796 0.000 -1.873) 6.091 19.818 ( 15.225 0.000 -0.239) 15.227 19.858 ( 15.751 0.000 -1.021) 15.785 19.918 ( 15.488 0.000 1.008) 15.521 19.971 ( 14.576 0.000 -1.789) 14.685 20.427 ( 4.482 0.000 0.215) 4.487 20.477 ( 1.862 0.000 -0.160) 1.869 20.990 ( -4.993 0.000 1.896) 5.341 21.263 ( -4.493 0.000 -0.403) 4.511 21.384 ( 0.956 0.000 0.671) 1.168 21.766 ( -0.837 0.000 -0.339) 0.903 21.966 ( 0.767 0.000 -0.263) 0.811 21.994 ( 3.579 0.000 -0.213) 3.586 23.464 ( -26.216 0.000 0.640) 26.224 23.592 ( -21.836 0.000 -0.391) 21.840 25.849 ( 29.681 0.000 0.036) 29.681 25.945 ( 27.937 0.000 0.312) 27.939 25.946 ( -3.617 0.000 -3.045) 4.728 26.073 ( -0.009 0.000 -3.140) 3.140 27.238 ( 8.994 0.000 0.051) 8.994 27.268 ( 9.588 0.000 -0.542) 9.603 27.981 ( -0.014 0.000 -0.064) 0.065 28.032 ( 0.727 0.000 0.437) 0.848 28.314 ( 8.866 0.000 -0.396) 8.875 28.409 ( 12.534 0.000 1.195) 12.591 30.568 ( -14.648 0.000 1.059) 14.686 30.895 ( -13.749 0.000 0.454) 13.756 30.991 ( -0.863 0.000 1.717) 1.922 31.307 ( 1.018 0.000 1.433) 1.758 31.553 ( -0.929 0.000 -4.609) 4.702 31.572 ( -8.486 0.000 -1.524) 8.621 32.199 ( -5.560 0.000 0.575) 5.590 32.603 ( -4.273 0.000 -0.325) 4.286 35.939 ( -4.944 0.000 -1.274) 5.106 36.156 ( -4.264 0.000 2.280) 4.836 37.130 ( -17.954 0.000 2.310) 18.102 38.164 ( -14.191 0.000 0.383) 14.196 38.209 ( -6.319 0.000 4.228) 7.603 39.096 ( -1.671 0.000 -2.328) 2.866 41.258 ( 7.040 0.000 4.243) 8.220 41.411 ( 9.665 0.000 9.324) 13.430 41.453 ( 5.045 0.000 -6.093) 7.910 41.622 ( -0.892 0.000 0.759) 1.171 41.836 ( -0.625 0.000 -13.505) 13.519 41.941 ( 10.335 0.000 -11.345) 15.347 ======================= Grid point 48 (24/100) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -24.840 0.000 -5.538) 25.450 1.536 ( -16.352 0.000 0.387) 16.357 1.924 ( -16.516 0.000 -7.749) 18.244 2.071 ( -2.075 0.000 -4.505) 4.960 2.090 ( -6.413 0.000 1.132) 6.512 2.432 ( -2.896 0.000 3.356) 4.433 2.485 ( -8.841 0.000 -2.156) 9.100 2.491 ( 2.321 0.000 1.793) 2.933 2.709 ( -4.852 0.000 0.266) 4.859 2.972 ( -3.841 0.000 -4.132) 5.642 3.118 ( -11.672 0.000 -0.076) 11.672 3.147 ( -7.500 0.000 1.683) 7.686 3.416 ( -4.402 0.000 -11.979) 12.762 3.699 ( 2.076 0.000 -15.509) 15.647 3.802 ( -3.701 0.000 2.479) 4.454 4.000 ( -1.880 0.000 4.755) 5.113 4.078 ( -4.279 0.000 3.825) 5.739 4.135 ( 1.336 0.000 6.106) 6.250 4.212 ( 3.607 0.000 1.654) 3.968 4.216 ( 2.601 0.000 9.937) 10.272 5.165 ( -18.377 0.000 3.104) 18.637 5.273 ( -14.526 0.000 2.760) 14.785 5.275 ( -4.034 0.000 -8.404) 9.322 5.375 ( 1.801 0.000 -8.878) 9.058 6.123 ( 0.972 0.000 -4.141) 4.253 6.274 ( -0.129 0.000 -4.296) 4.298 6.465 ( -1.045 0.000 -4.963) 5.072 6.523 ( -15.952 0.000 5.002) 16.717 7.086 ( -8.237 0.000 8.291) 11.687 7.199 ( 18.117 0.000 -0.997) 18.145 7.224 ( -20.195 0.000 -2.434) 20.341 7.580 ( -12.549 0.000 -0.561) 12.561 7.599 ( -19.673 0.000 2.296) 19.806 7.800 ( -17.725 0.000 0.901) 17.748 8.707 ( 4.683 0.000 0.680) 4.732 8.806 ( 7.416 0.000 -2.251) 7.750 9.552 ( -18.969 0.000 -1.053) 18.998 9.776 ( -10.562 0.000 -3.428) 11.105 9.993 ( -21.834 0.000 -1.329) 21.875 10.139 ( -34.602 0.000 -6.308) 35.172 10.967 ( 6.981 0.000 11.035) 13.058 11.129 ( 9.059 0.000 11.623) 14.736 11.339 ( -4.986 0.000 0.098) 4.987 11.441 ( -10.664 0.000 0.449) 10.674 12.167 ( -4.962 0.000 -0.926) 5.047 12.292 ( -4.956 0.000 -0.810) 5.021 12.942 ( -5.728 0.000 -1.370) 5.890 13.058 ( -3.698 0.000 -1.101) 3.858 13.387 ( 10.103 0.000 -0.870) 10.140 13.440 ( 8.630 0.000 -2.127) 8.888 14.353 ( -7.131 0.000 6.569) 9.695 14.371 ( -1.191 0.000 -0.323) 1.234 14.389 ( -3.046 0.000 -0.840) 3.160 14.484 ( 1.947 0.000 4.218) 4.646 15.203 ( -3.436 0.000 -13.930) 14.347 15.340 ( -8.295 0.000 -7.606) 11.254 15.895 ( 16.822 0.000 0.335) 16.825 16.096 ( 18.149 0.000 1.951) 18.253 16.767 ( 0.276 0.000 7.585) 7.590 16.792 ( -1.528 0.000 11.172) 11.276 17.947 ( 1.599 0.000 -1.012) 1.892 18.105 ( 3.000 0.000 -0.681) 3.076 18.382 ( 2.193 0.000 -0.293) 2.213 18.521 ( 4.126 0.000 -2.027) 4.597 20.121 ( 14.132 0.000 -0.142) 14.132 20.124 ( 10.623 0.000 -0.228) 10.626 20.196 ( 9.693 0.000 -0.611) 9.712 20.238 ( 14.548 0.000 1.712) 14.648 20.491 ( 2.142 0.000 0.660) 2.241 20.578 ( 8.512 0.000 1.014) 8.572 20.885 ( -5.067 0.000 1.893) 5.409 21.170 ( -4.350 0.000 -0.487) 4.377 21.422 ( 2.284 0.000 1.045) 2.512 21.741 ( -1.726 0.000 0.194) 1.737 21.985 ( 1.366 0.000 -0.482) 1.448 22.069 ( 3.890 0.000 -0.219) 3.896 23.030 ( -19.658 0.000 0.903) 19.678 23.255 ( -13.069 0.000 -1.452) 13.149 25.901 ( 0.648 0.000 -1.729) 1.847 26.080 ( 3.134 0.000 -6.557) 7.267 26.372 ( 24.841 0.000 0.308) 24.843 26.437 ( 23.412 0.000 0.191) 23.413 27.421 ( 10.099 0.000 0.335) 10.104 27.523 ( 17.199 0.000 2.351) 17.359 27.971 ( -1.277 0.000 -0.211) 1.294 28.030 ( -1.249 0.000 0.381) 1.306 28.513 ( 12.338 0.000 -0.553) 12.350 28.691 ( 16.575 0.000 1.448) 16.639 30.164 ( -28.718 0.000 0.316) 28.720 30.631 ( -13.611 0.000 0.460) 13.619 30.932 ( -5.855 0.000 -2.577) 6.397 31.397 ( 6.044 0.000 6.117) 8.599 31.410 ( -6.976 0.000 -1.968) 7.249 31.496 ( -2.181 0.000 -3.915) 4.481 32.133 ( -1.489 0.000 1.426) 2.061 32.490 ( -6.949 0.000 -1.293) 7.068 35.805 ( -8.881 0.000 -0.591) 8.900 36.050 ( -8.426 0.000 2.456) 8.777 36.750 ( -22.680 0.000 1.863) 22.756 37.887 ( -14.676 0.000 0.762) 14.695 38.053 ( -10.570 0.000 -4.419) 11.457 39.038 ( -2.158 0.000 -6.081) 6.452 41.429 ( 8.873 0.000 1.917) 9.077 41.538 ( 6.439 0.000 -2.953) 7.084 41.561 ( -1.702 0.000 4.055) 4.398 41.682 ( 10.502 0.000 2.827) 10.876 41.738 ( -2.463 0.000 -16.051) 16.239 42.163 ( 17.368 0.000 -6.499) 18.544 ======================= Grid point 49 (25/100) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -20.840 0.000 14.000) 25.106 1.209 ( -22.504 0.000 8.600) 24.092 1.549 ( -14.835 0.000 -9.738) 17.745 1.963 ( -5.958 0.000 0.068) 5.958 1.989 ( -5.283 0.000 -10.229) 11.513 2.171 ( -23.539 0.000 -2.006) 23.625 2.448 ( 0.911 0.000 14.261) 14.290 2.554 ( 2.371 0.000 2.123) 3.183 2.629 ( -5.570 0.000 1.353) 5.732 2.824 ( -11.569 0.000 -2.325) 11.800 2.902 ( -9.904 0.000 -0.306) 9.909 3.029 ( -5.356 0.000 2.125) 5.763 3.265 ( -7.178 0.000 -7.871) 10.652 3.632 ( -1.402 0.000 -13.887) 13.958 3.744 ( -2.807 0.000 0.470) 2.846 3.964 ( -4.396 0.000 3.547) 5.649 3.969 ( -8.772 0.000 5.185) 10.190 4.118 ( -5.288 0.000 0.948) 5.373 4.254 ( -1.462 0.000 -0.849) 1.691 4.333 ( 4.151 0.000 14.464) 15.047 4.870 ( -12.789 0.000 1.613) 12.890 5.046 ( -9.450 0.000 -0.057) 9.450 5.099 ( -11.118 0.000 -8.033) 13.717 5.286 ( -10.679 0.000 -9.060) 14.004 5.874 ( -22.567 0.000 3.587) 22.850 6.084 ( -23.783 0.000 -3.480) 24.036 6.176 ( -13.250 0.000 -0.603) 13.264 6.404 ( 1.075 0.000 -3.453) 3.616 6.552 ( -27.770 0.000 -0.807) 27.782 6.931 ( -24.943 0.000 0.962) 24.962 7.331 ( -0.720 0.000 5.188) 5.237 7.472 ( 5.540 0.000 1.440) 5.724 7.632 ( 4.312 0.000 -1.376) 4.526 7.788 ( 22.622 0.000 -0.977) 22.643 8.744 ( -0.776 0.000 -1.017) 1.279 8.881 ( 1.741 0.000 -3.933) 4.301 9.312 ( -7.163 0.000 0.040) 7.163 9.576 ( -17.693 0.000 0.068) 17.693 9.628 ( -4.254 0.000 -5.791) 7.186 9.671 ( -14.807 0.000 2.408) 15.001 11.148 ( 7.239 0.000 6.752) 9.899 11.278 ( -2.985 0.000 0.143) 2.989 11.326 ( -2.092 0.000 0.217) 2.103 11.364 ( 10.531 0.000 4.860) 11.598 12.065 ( -4.909 0.000 -0.568) 4.941 12.196 ( -4.333 0.000 -1.185) 4.492 12.842 ( -4.252 0.000 -2.373) 4.869 12.988 ( -3.415 0.000 -4.053) 5.300 13.576 ( 9.529 0.000 0.091) 9.530 13.613 ( 10.564 0.000 -1.957) 10.743 14.237 ( -8.333 0.000 7.473) 11.193 14.331 ( -2.329 0.000 -0.201) 2.338 14.365 ( -0.004 0.000 -0.949) 0.949 14.492 ( -5.546 0.000 8.423) 10.085 15.109 ( 1.593 0.000 -16.575) 16.651 15.185 ( -1.412 0.000 -13.360) 13.435 16.232 ( 17.380 0.000 0.689) 17.393 16.435 ( 15.697 0.000 1.364) 15.756 16.782 ( -2.230 0.000 7.941) 8.248 16.833 ( -1.080 0.000 16.053) 16.089 17.935 ( -1.150 0.000 -0.440) 1.231 18.108 ( -0.671 0.000 -2.421) 2.512 18.408 ( 1.048 0.000 -0.434) 1.135 18.591 ( 4.135 0.000 -1.607) 4.436 20.195 ( -8.491 0.000 1.281) 8.587 20.235 ( 2.729 0.000 -0.454) 2.767 20.330 ( 3.916 0.000 0.626) 3.965 20.357 ( -2.650 0.000 1.557) 3.074 20.553 ( 4.317 0.000 0.751) 4.382 20.753 ( 8.819 0.000 0.690) 8.846 20.943 ( 10.391 0.000 0.152) 10.392 21.151 ( 3.864 0.000 -0.340) 3.879 21.455 ( -0.148 0.000 1.361) 1.369 21.704 ( -2.486 0.000 1.079) 2.710 22.011 ( 1.553 0.000 -0.750) 1.724 22.119 ( 1.290 0.000 -0.373) 1.343 22.745 ( -11.016 0.000 0.480) 11.027 23.085 ( -4.631 0.000 -2.010) 5.049 25.972 ( 7.140 0.000 1.459) 7.287 26.117 ( 4.127 0.000 -8.956) 9.861 26.756 ( 15.265 0.000 -0.000) 15.265 26.804 ( 14.827 0.000 0.675) 14.842 27.615 ( 9.943 0.000 0.635) 9.963 27.926 ( -3.234 0.000 -0.297) 3.248 27.930 ( 23.603 0.000 3.913) 23.925 27.987 ( -3.370 0.000 0.579) 3.420 28.770 ( 14.963 0.000 -0.526) 14.972 29.039 ( 19.199 0.000 0.955) 19.223 29.525 ( -37.012 0.000 -0.748) 37.019 30.413 ( -9.355 0.000 0.484) 9.368 30.673 ( -19.164 0.000 -21.796) 29.023 31.316 ( -1.539 0.000 -2.818) 3.211 31.418 ( 0.585 0.000 -6.325) 6.352 31.656 ( 11.973 0.000 26.433) 29.018 32.152 ( 2.008 0.000 2.655) 3.329 32.348 ( -6.840 0.000 -1.423) 6.987 35.607 ( -11.470 0.000 0.341) 11.475 35.856 ( -13.170 0.000 2.226) 13.357 36.329 ( -21.650 0.000 0.848) 21.667 37.646 ( -10.778 0.000 0.678) 10.799 37.716 ( -19.697 0.000 -31.592) 37.229 38.967 ( -0.856 0.000 -11.503) 11.535 41.509 ( -2.912 0.000 -5.952) 6.626 41.548 ( 5.966 0.000 -12.080) 13.473 41.599 ( -4.024 0.000 -11.293) 11.988 41.710 ( 9.092 0.000 13.356) 16.157 41.896 ( 8.971 0.000 4.784) 10.167 42.537 ( 21.840 0.000 9.338) 23.753 ======================= Grid point 50 (26/100) ======================= q-point: (-0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -27.428 0.000 14.988) 31.256 0.775 ( -6.745 0.000 41.600) 42.143 1.356 ( -53.858 0.000 12.529) 55.296 1.368 ( -1.798 0.000 -3.170) 3.645 1.898 ( -0.697 0.000 -0.086) 0.702 1.985 ( 2.866 0.000 -16.306) 16.556 2.433 ( -20.745 0.000 -1.736) 20.818 2.478 ( -9.386 0.000 0.223) 9.388 2.577 ( -1.148 0.000 0.835) 1.419 2.638 ( 4.061 0.000 18.731) 19.166 2.787 ( -2.737 0.000 1.794) 3.272 2.981 ( -2.444 0.000 6.168) 6.635 3.066 ( -10.445 0.000 -1.251) 10.520 3.485 ( -9.250 0.000 -10.201) 13.771 3.703 ( -1.979 0.000 -0.417) 2.023 3.827 ( -8.566 0.000 3.262) 9.166 3.892 ( -3.225 0.000 -0.706) 3.302 3.957 ( -9.445 0.000 -0.445) 9.455 4.116 ( -10.228 0.000 -1.738) 10.374 4.539 ( 10.177 0.000 8.114) 13.016 4.716 ( -3.990 0.000 -3.077) 5.039 4.830 ( -10.644 0.000 -3.217) 11.120 4.942 ( -1.217 0.000 -4.928) 5.076 4.975 ( -8.143 0.000 8.946) 12.097 5.659 ( -11.692 0.000 -6.809) 13.530 5.703 ( -5.076 0.000 -1.381) 5.260 5.819 ( -16.915 0.000 1.890) 17.020 6.069 ( -24.227 0.000 -2.733) 24.381 6.470 ( 4.849 0.000 0.181) 4.853 6.656 ( -3.729 0.000 0.158) 3.732 7.412 ( 8.185 0.000 10.827) 13.573 7.566 ( 2.668 0.000 -4.395) 5.141 7.763 ( 7.650 0.000 -1.066) 7.724 8.179 ( 16.356 0.000 -1.642) 16.439 8.698 ( -1.133 0.000 -3.284) 3.474 8.872 ( -0.167 0.000 -2.078) 2.085 9.237 ( -1.914 0.000 0.083) 1.916 9.394 ( -5.014 0.000 5.846) 7.702 9.490 ( -8.634 0.000 -10.984) 13.971 9.515 ( -5.211 0.000 8.099) 9.630 11.247 ( -0.240 0.000 0.317) 0.398 11.288 ( 4.562 0.000 2.948) 5.432 11.305 ( -0.946 0.000 0.068) 0.948 11.492 ( 0.842 0.000 -5.000) 5.070 12.025 ( 1.076 0.000 0.091) 1.079 12.114 ( -4.096 0.000 -2.223) 4.660 12.755 ( -3.161 0.000 -3.955) 5.063 12.849 ( -8.948 0.000 -8.649) 12.445 13.731 ( 6.219 0.000 0.534) 6.242 13.796 ( 8.728 0.000 -1.319) 8.827 14.118 ( -6.864 0.000 3.669) 7.783 14.294 ( -1.381 0.000 -0.039) 1.381 14.344 ( -11.355 0.000 3.849) 11.990 14.359 ( -0.423 0.000 -0.436) 0.608 15.140 ( 6.700 0.000 -12.502) 14.184 15.182 ( 8.853 0.000 -10.133) 13.456 16.509 ( 10.659 0.000 0.481) 10.669 16.655 ( 6.382 0.000 0.691) 6.419 16.766 ( -3.510 0.000 8.789) 9.464 16.922 ( 2.779 0.000 19.577) 19.773 17.938 ( 2.210 0.000 -1.176) 2.503 18.090 ( 0.336 0.000 -2.727) 2.748 18.426 ( 0.991 0.000 0.485) 1.103 18.632 ( -0.341 0.000 -3.522) 3.539 19.958 ( -13.522 0.000 2.003) 13.669 20.220 ( -9.121 0.000 -0.759) 9.153 20.259 ( 0.460 0.000 -0.215) 0.508 20.363 ( -0.337 0.000 -0.215) 0.400 20.645 ( 4.536 0.000 0.374) 4.552 20.872 ( 2.177 0.000 -5.995) 6.378 21.144 ( 8.654 0.000 -0.154) 8.655 21.267 ( 6.134 0.000 -0.102) 6.135 21.426 ( -2.962 0.000 2.748) 4.040 21.656 ( -3.089 0.000 0.942) 3.230 22.032 ( 1.215 0.000 -1.394) 1.849 22.121 ( -0.322 0.000 0.019) 0.322 22.607 ( -4.238 0.000 0.104) 4.239 23.034 ( -0.393 0.000 -2.464) 2.496 26.149 ( 5.107 0.000 -2.524) 5.697 26.178 ( 11.367 0.000 7.008) 13.354 26.948 ( 5.867 0.000 -0.487) 5.887 26.994 ( 5.095 0.000 0.990) 5.191 27.777 ( 6.037 0.000 0.500) 6.058 27.866 ( -2.351 0.000 0.290) 2.368 27.926 ( -2.891 0.000 1.039) 3.072 28.365 ( 17.749 0.000 -1.902) 17.851 28.872 ( -28.299 0.000 -0.348) 28.301 29.037 ( 12.100 0.000 -0.288) 12.103 29.375 ( 14.361 0.000 -0.285) 14.364 29.778 ( -64.293 0.000 -61.569) 89.019 30.284 ( -4.725 0.000 0.518) 4.753 31.313 ( 2.097 0.000 -4.405) 4.878 31.453 ( 3.854 0.000 0.348) 3.870 32.146 ( 8.718 0.000 8.085) 11.890 32.234 ( 0.922 0.000 4.324) 4.421 32.317 ( 25.884 0.000 31.907) 41.086 35.414 ( -8.140 0.000 0.692) 8.169 35.603 ( -12.993 0.000 1.231) 13.051 35.985 ( -13.837 0.000 -0.542) 13.847 36.749 ( -63.601 0.000 -69.871) 94.482 37.497 ( -5.331 0.000 0.370) 5.344 38.901 ( 0.931 0.000 -16.385) 16.412 41.464 ( 2.966 0.000 0.815) 3.076 41.526 ( 1.156 0.000 -4.014) 4.177 41.563 ( 2.131 0.000 -12.945) 13.120 41.958 ( 8.488 0.000 17.501) 19.451 42.097 ( 10.126 0.000 16.722) 19.549 43.127 ( 34.957 0.000 31.378) 46.974 ======================= Grid point 51 (27/100) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.160 17.382 11.843) 21.065 0.869 ( -9.094 22.605 10.245) 26.432 1.153 ( 6.510 -15.290 9.907) 19.347 1.462 ( 0.550 -15.909 5.144) 16.729 1.515 ( 0.768 18.123 25.940) 31.653 2.025 ( -4.616 -9.861 -0.026) 10.888 2.342 ( 3.564 5.579 -1.961) 6.905 2.381 ( 1.319 1.147 -0.601) 1.848 2.621 ( 2.086 -5.735 16.386) 17.485 2.631 ( -0.817 6.616 -0.169) 6.669 2.770 ( -1.431 -7.060 1.366) 7.332 2.814 ( 1.679 -5.432 5.128) 7.657 3.037 ( 6.414 1.156 6.339) 9.091 3.153 ( 4.565 -6.904 4.581) 9.460 3.735 ( -6.287 3.882 -4.206) 8.503 3.754 ( -2.339 2.141 -2.735) 4.188 3.845 ( 0.706 -1.048 -2.197) 2.535 3.872 ( 2.407 -2.985 5.159) 6.428 4.263 ( 2.544 15.695 -6.370) 17.129 4.495 ( -0.330 -4.267 -9.713) 10.614 4.700 ( 0.313 2.140 -3.344) 3.983 4.750 ( 1.808 -1.810 0.294) 2.575 4.856 ( -6.180 1.642 -7.879) 10.147 4.943 ( -6.434 -4.940 4.041) 9.062 5.607 ( 1.969 0.710 0.887) 2.273 5.661 ( 0.890 -2.783 1.063) 3.109 5.748 ( 5.360 6.031 0.351) 8.077 5.879 ( 5.661 -3.136 -1.581) 6.662 6.564 ( 2.876 2.381 1.922) 4.199 6.628 ( 1.727 -2.221 1.814) 3.347 7.296 ( -7.265 0.311 0.654) 7.301 7.448 ( -5.945 -10.561 -5.055) 13.131 8.038 ( -0.070 12.668 -5.330) 13.744 8.283 ( 1.211 -8.521 -1.855) 8.804 8.749 ( 3.618 3.219 -0.731) 4.898 8.832 ( 3.834 -3.373 -0.986) 5.201 9.230 ( 0.626 1.591 -1.009) 1.985 9.273 ( -1.521 -1.830 -0.141) 2.384 9.483 ( 2.983 2.874 9.357) 10.233 9.521 ( 2.252 -0.649 10.764) 11.016 11.258 ( -1.569 -0.379 -0.436) 1.672 11.267 ( -1.325 -1.189 -0.108) 1.784 11.352 ( -2.601 2.948 -2.285) 4.547 11.388 ( -3.604 -0.263 -1.853) 4.061 11.997 ( -0.454 1.107 -0.407) 1.263 12.031 ( 0.390 -1.466 -0.319) 1.550 12.695 ( -0.986 0.578 -5.712) 5.825 12.718 ( 1.701 -1.544 -6.134) 6.550 13.877 ( 0.602 2.424 -2.327) 3.414 13.896 ( 1.196 -0.022 -0.639) 1.356 14.031 ( -4.338 1.969 -0.898) 4.848 14.097 ( -5.588 -3.464 0.127) 6.576 14.361 ( 0.545 1.869 -2.328) 3.035 14.374 ( -0.343 1.019 -2.358) 2.592 15.228 ( 7.723 0.966 -7.727) 10.967 15.268 ( 7.483 -2.747 -6.066) 10.017 16.631 ( -1.074 1.491 -0.273) 1.858 16.668 ( -2.123 -1.545 0.013) 2.626 16.754 ( -3.981 1.631 10.812) 11.637 16.829 ( -6.033 -5.784 15.033) 17.200 18.004 ( 0.770 2.258 -2.051) 3.146 18.062 ( 1.155 -2.379 -2.059) 3.352 18.470 ( 0.314 1.513 1.491) 2.148 18.510 ( -1.012 -1.542 0.612) 1.944 19.882 ( -2.315 5.905 0.237) 6.347 20.035 ( -2.541 -6.271 -0.552) 6.788 20.260 ( -0.745 0.031 -0.016) 0.746 20.264 ( -1.035 -0.251 0.175) 1.079 20.715 ( -0.137 0.658 0.863) 1.094 20.729 ( 0.263 -0.342 0.470) 0.638 21.265 ( -0.303 1.203 -0.726) 1.438 21.297 ( -0.260 -1.805 0.387) 1.864 21.478 ( -0.352 4.947 0.874) 5.036 21.581 ( -0.428 -3.311 0.565) 3.386 22.042 ( 0.502 0.689 -1.398) 1.637 22.075 ( -0.016 -1.984 -0.925) 2.189 22.851 ( -0.706 10.086 -8.746) 13.368 22.988 ( 0.078 -3.244 -4.138) 5.259 26.290 ( 2.104 2.285 5.562) 6.371 26.407 ( 9.418 -9.747 10.079) 16.890 27.038 ( 0.621 1.245 0.057) 1.393 27.061 ( 1.257 -0.290 -0.575) 1.412 27.834 ( -0.059 0.816 -0.824) 1.161 27.866 ( -3.163 -1.367 -0.655) 3.508 27.882 ( -2.157 0.472 2.314) 3.198 27.900 ( 0.200 -0.524 1.781) 1.867 28.589 ( -1.229 -0.332 1.353) 1.858 28.598 ( -0.152 -0.779 0.989) 1.268 29.451 ( -1.529 5.656 -6.938) 9.081 29.507 ( -0.585 -0.740 -2.380) 2.560 30.738 ( -2.348 23.966 -24.795) 34.564 31.124 ( -0.900 -12.078 -15.215) 19.447 31.737 ( 2.098 13.444 9.291) 16.476 32.051 ( 0.756 -10.536 5.184) 11.767 32.251 ( -2.094 1.279 5.500) 6.023 32.372 ( -4.635 -14.357 17.775) 23.314 35.414 ( -2.901 2.732 -2.025) 4.470 35.452 ( -1.009 -0.967 0.077) 1.400 35.845 ( 0.599 0.290 -0.735) 0.991 35.868 ( 10.159 -2.198 1.072) 10.449 38.374 ( 1.226 33.497 -41.100) 53.035 38.775 ( 1.628 -7.360 -24.469) 25.604 41.442 ( -0.552 0.764 -7.061) 7.124 41.485 ( 0.585 -2.557 -9.503) 9.858 41.721 ( 2.504 5.753 -4.808) 7.905 41.900 ( 1.607 -10.052 6.942) 12.321 42.978 ( 10.467 24.897 19.014) 33.030 43.566 ( 14.844 -28.382 23.643) 39.811 ======================= Grid point 52 (28/100) ======================= q-point: ( 0.08 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 13.532 8.974 12.385) 20.421 1.137 ( 16.741 0.975 6.964) 18.158 1.374 ( 12.978 -2.246 7.328) 15.072 1.698 ( 15.353 -13.929 5.904) 21.554 1.802 ( 16.412 6.824 18.411) 25.591 2.016 ( 5.503 -6.201 1.632) 8.449 2.502 ( 7.885 7.195 -3.404) 11.204 2.546 ( 11.132 6.102 -0.706) 12.715 2.607 ( 1.209 7.867 0.048) 7.959 2.761 ( 5.215 -6.739 6.563) 10.756 2.830 ( 6.614 -0.479 7.197) 9.786 2.900 ( 4.632 -6.242 7.290) 10.657 3.354 ( 18.951 -1.361 11.202) 22.056 3.419 ( 18.310 -6.097 0.544) 19.306 3.673 ( 2.050 5.636 -3.423) 6.906 3.742 ( 3.143 -0.052 -0.666) 3.213 3.924 ( 6.668 0.662 -1.101) 6.790 3.990 ( 6.678 -4.371 1.865) 8.196 4.212 ( -5.379 11.343 -3.500) 13.032 4.398 ( -6.321 -3.260 -3.030) 7.730 4.662 ( -0.878 2.531 -11.045) 11.365 4.698 ( 3.598 0.111 -7.537) 8.353 4.952 ( 13.678 0.037 3.194) 14.046 5.003 ( 15.163 -4.822 9.420) 18.491 5.691 ( 6.687 -0.635 2.285) 7.095 5.717 ( 6.587 -2.162 3.091) 7.591 6.025 ( 19.561 6.464 -1.527) 20.658 6.148 ( 21.302 -2.353 -0.982) 21.454 6.617 ( 1.187 2.321 4.656) 5.336 6.674 ( 2.315 -1.844 3.408) 4.514 7.163 ( -4.414 1.920 -4.334) 6.477 7.269 ( -6.850 -5.609 -8.910) 12.561 7.891 ( -11.346 10.019 -3.805) 15.607 8.110 ( -16.031 -8.249 -3.070) 18.288 8.824 ( 2.565 5.024 -1.092) 5.746 8.907 ( 2.821 -1.406 -1.602) 3.536 9.270 ( 3.481 1.446 0.924) 3.881 9.355 ( 8.369 -6.508 1.111) 10.660 9.628 ( 8.144 2.984 9.327) 12.736 9.673 ( 8.172 -0.478 9.917) 12.859 11.138 ( -10.943 1.665 -4.755) 12.047 11.202 ( -8.436 -3.622 -5.950) 10.940 11.271 ( -1.671 1.587 -0.543) 2.367 11.301 ( -2.009 -0.743 -1.090) 2.404 12.033 ( 4.207 2.055 0.345) 4.695 12.086 ( 5.073 -2.200 0.280) 5.536 12.681 ( 2.242 1.676 -7.918) 8.398 12.757 ( 4.498 -5.210 -9.217) 11.504 13.802 ( -6.682 2.931 -0.901) 7.352 13.839 ( -6.444 -0.665 0.233) 6.483 13.989 ( 0.371 2.081 -2.490) 3.266 14.043 ( 1.149 -2.213 -2.908) 3.831 14.353 ( 0.151 2.066 -1.699) 2.679 14.370 ( 0.485 0.238 -1.112) 1.236 15.352 ( 7.916 1.050 -3.768) 8.830 15.385 ( 7.478 -1.680 -3.261) 8.330 16.517 ( -10.310 1.364 -0.129) 10.400 16.558 ( -9.452 -1.952 -0.908) 9.694 16.727 ( -4.390 1.501 9.454) 10.531 16.767 ( -6.571 -1.985 11.869) 13.711 17.982 ( -0.904 3.617 -1.244) 3.931 18.075 ( 1.134 -3.773 -1.167) 4.109 18.484 ( -0.261 0.939 1.862) 2.102 18.525 ( 1.574 -2.855 -0.435) 3.289 19.970 ( 10.590 4.961 -0.705) 11.716 20.099 ( 8.601 -5.453 -1.793) 10.341 20.259 ( 0.408 0.134 -0.531) 0.683 20.262 ( 0.482 -0.111 -0.411) 0.643 20.670 ( -4.292 2.105 1.158) 4.918 20.721 ( -2.592 -1.939 0.665) 3.305 21.178 ( -8.414 1.646 -0.382) 8.582 21.222 ( -7.372 -2.319 -0.023) 7.728 21.506 ( 2.438 4.703 0.535) 5.325 21.611 ( 2.798 -3.707 0.783) 4.710 22.042 ( -0.032 0.698 -1.016) 1.234 22.075 ( 0.395 -2.006 -0.995) 2.273 22.796 ( 0.139 10.680 -4.026) 11.415 22.970 ( 0.650 -4.549 -3.607) 5.842 26.240 ( -7.810 5.226 5.061) 10.673 26.440 ( -7.349 -12.470 6.032) 15.681 26.997 ( -5.840 1.059 0.140) 5.937 27.000 ( -6.600 0.867 0.301) 6.663 27.827 ( -3.330 2.503 0.887) 4.260 27.910 ( 1.776 -0.473 1.100) 2.142 27.914 ( 1.902 -1.848 0.326) 2.672 27.954 ( -1.101 -4.240 -0.657) 4.430 28.841 ( 27.233 2.556 -2.191) 27.440 28.926 ( 28.337 -4.849 -2.795) 28.885 29.272 ( -8.773 4.335 -8.195) 12.764 29.339 ( -12.258 -1.288 -4.500) 13.121 30.626 ( 1.548 20.803 -14.466) 25.386 31.031 ( -0.819 -14.589 -12.181) 19.023 31.781 ( -1.950 14.368 9.537) 17.355 32.073 ( -2.557 -7.607 7.976) 11.314 32.195 ( -5.729 0.686 4.737) 7.466 32.269 ( -7.084 -8.321 9.921) 14.759 35.455 ( 8.346 3.535 0.018) 9.064 35.541 ( 9.611 -3.556 0.200) 10.250 36.021 ( 16.425 6.957 -1.800) 17.928 36.293 ( 27.063 -18.754 -4.652) 33.253 38.227 ( 1.672 31.826 -28.118) 42.501 38.690 ( 1.679 -10.776 -22.623) 25.115 41.374 ( -2.158 1.314 -10.737) 11.030 41.414 ( -2.619 -1.433 -10.557) 10.970 41.728 ( -0.757 6.061 1.353) 6.256 41.954 ( -1.578 -13.550 12.223) 18.316 43.075 ( -8.738 21.896 19.830) 30.806 43.581 ( -19.606 -21.523 21.612) 36.259 ======================= Grid point 53 (29/100) ======================= q-point: ( 0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 19.543 1.927 9.274) 21.718 1.444 ( 15.866 -12.197 2.392) 20.155 1.657 ( 11.498 11.118 12.261) 20.153 1.961 ( 9.317 -12.319 8.544) 17.651 2.111 ( 10.036 6.686 -0.991) 12.100 2.221 ( 11.044 -3.138 1.639) 11.598 2.510 ( -2.234 5.115 -3.004) 6.339 2.600 ( 5.264 -0.895 -1.545) 5.559 2.816 ( 8.502 8.705 3.662) 12.707 2.903 ( 8.027 -1.681 1.541) 8.344 3.014 ( 7.835 -1.208 8.266) 11.453 3.030 ( 3.610 -1.987 9.677) 10.518 3.635 ( 4.316 -0.013 3.256) 5.407 3.675 ( 5.947 -2.480 -4.253) 7.721 3.762 ( 6.956 5.198 0.865) 8.726 3.866 ( 7.287 -1.211 2.394) 7.765 3.983 ( -1.666 1.260 -9.017) 9.256 4.039 ( -0.750 -2.279 -7.738) 8.101 4.167 ( 3.937 6.131 7.977) 10.803 4.338 ( 2.290 -7.515 8.433) 11.526 4.741 ( 11.066 4.341 -4.434) 12.687 4.806 ( 10.495 -1.335 -5.198) 11.788 5.258 ( 14.047 3.794 -1.645) 14.643 5.390 ( 14.346 -6.937 0.274) 15.937 5.940 ( 22.807 2.929 5.803) 23.715 6.041 ( 23.500 -5.935 4.495) 24.652 6.374 ( 11.132 5.562 3.270) 12.866 6.503 ( 6.040 -5.647 5.206) 9.771 6.769 ( 21.213 5.277 0.743) 21.872 6.818 ( 14.339 0.232 -2.413) 14.542 7.131 ( 4.552 0.522 -6.334) 7.817 7.178 ( 4.744 -2.512 -7.091) 8.894 7.653 ( -9.334 3.502 -1.834) 10.137 7.744 ( -18.585 -3.979 -1.781) 19.089 8.819 ( -1.779 5.884 -1.785) 6.401 8.915 ( -1.700 -1.921 -0.427) 2.600 9.388 ( 9.015 3.801 1.271) 9.866 9.536 ( 10.195 -8.250 0.072) 13.114 9.907 ( 16.054 1.883 9.394) 18.696 9.924 ( 16.038 0.982 8.377) 18.121 10.865 ( -13.989 1.227 -6.849) 15.623 10.917 ( -15.121 -2.958 -8.952) 17.819 11.279 ( 2.111 0.643 -0.346) 2.234 11.296 ( 1.231 -0.677 -0.589) 1.523 12.139 ( 5.981 2.333 0.770) 6.466 12.195 ( 5.739 -2.149 0.478) 6.147 12.693 ( 3.503 2.241 -9.369) 10.251 12.780 ( 3.351 -5.109 -10.083) 11.789 13.645 ( -9.282 2.734 0.308) 9.681 13.686 ( -9.409 -0.843 0.988) 9.498 14.026 ( 5.014 3.275 -3.176) 6.779 14.110 ( 6.572 -3.383 -4.293) 8.548 14.359 ( 0.899 1.058 -0.735) 1.571 14.374 ( 0.735 -0.204 -1.094) 1.334 15.478 ( 6.440 1.071 -1.068) 6.615 15.510 ( 6.660 -1.456 -0.822) 6.867 16.259 ( -16.375 1.743 -0.025) 16.468 16.306 ( -16.032 -2.027 -1.912) 16.273 16.679 ( -4.789 1.422 8.233) 9.630 16.711 ( -4.509 -1.206 9.145) 10.267 17.989 ( 1.858 4.147 -0.666) 4.593 18.089 ( 0.558 -3.657 -1.190) 3.886 18.468 ( -2.102 1.909 0.741) 2.934 18.534 ( -0.877 -3.559 -0.359) 3.683 20.183 ( 8.652 2.212 -0.859) 8.972 20.236 ( 2.443 -1.660 -2.072) 3.608 20.249 ( -0.865 0.215 -0.412) 0.982 20.264 ( -0.818 -0.630 -0.842) 1.332 20.580 ( -5.331 2.098 1.696) 5.975 20.641 ( -5.759 -2.681 1.034) 6.436 20.981 ( -10.241 2.610 0.060) 10.568 21.065 ( -6.822 -4.623 0.000) 8.241 21.551 ( 1.672 5.916 0.432) 6.163 21.673 ( 2.950 -4.167 0.988) 5.201 22.028 ( -1.146 1.167 -0.591) 1.739 22.070 ( -0.748 -2.313 -0.809) 2.562 22.851 ( 7.477 8.288 -1.770) 11.302 23.010 ( 5.923 -4.813 -2.658) 8.082 26.116 ( -6.463 5.370 3.373) 9.054 26.289 ( -9.506 -8.953 2.597) 13.314 26.789 ( -15.790 2.107 -0.079) 15.930 26.812 ( -15.106 -0.170 0.484) 15.114 27.693 ( -10.448 1.905 2.307) 10.868 27.753 ( -13.205 -3.104 0.568) 13.577 27.967 ( 2.525 1.093 1.034) 2.940 27.992 ( 2.806 -0.932 1.293) 3.227 28.852 ( -16.643 4.294 -0.752) 17.204 28.940 ( -18.596 -2.965 -1.682) 18.906 29.499 ( 36.093 6.726 -6.364) 37.262 29.719 ( 36.846 -11.954 -12.762) 40.784 30.668 ( 8.309 15.820 -8.331) 19.715 31.015 ( 4.423 -14.100 -7.752) 16.687 31.758 ( -4.920 13.716 9.394) 17.338 31.996 ( -9.799 -5.368 13.559) 17.569 32.139 ( -1.089 2.146 0.689) 2.503 32.259 ( 2.032 -8.378 -0.179) 8.622 35.675 ( 12.870 3.284 1.328) 13.348 35.768 ( 12.699 -4.369 1.217) 13.485 36.382 ( 22.013 10.912 -2.930) 24.743 36.745 ( 24.062 -21.318 -7.320) 32.970 38.192 ( 6.257 26.867 -18.225) 33.062 38.644 ( 4.099 -12.537 -18.601) 22.803 41.268 ( -3.460 1.441 -10.383) 11.039 41.305 ( -4.085 -1.259 -7.739) 8.841 41.711 ( -2.241 6.886 3.514) 8.049 41.939 ( -5.734 -12.214 10.470) 17.078 42.900 ( -17.583 15.003 17.977) 29.281 43.217 ( -26.730 -11.311 19.480) 34.956 ======================= Grid point 54 (30/100) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 16.602 0.175 6.120) 17.695 1.739 ( 13.123 -8.037 2.035) 15.522 1.934 ( 12.781 8.506 7.329) 17.012 2.133 ( 4.715 -3.441 1.306) 5.982 2.230 ( 5.745 0.033 0.519) 5.769 2.311 ( 0.342 -4.254 -2.257) 4.828 2.562 ( 7.439 8.191 1.929) 11.232 2.731 ( 7.396 -2.817 0.962) 7.973 2.918 ( 2.207 4.166 4.452) 6.485 2.995 ( -0.569 -1.569 2.505) 3.010 3.155 ( 7.191 0.743 6.157) 9.496 3.209 ( 8.176 -1.884 5.792) 10.196 3.633 ( -2.566 2.729 -2.834) 4.698 3.674 ( -1.753 1.532 -6.894) 7.276 3.798 ( -6.043 -1.363 -9.565) 11.395 3.805 ( -1.311 -2.484 -5.821) 6.464 4.002 ( 4.674 2.412 0.083) 5.260 4.052 ( 3.317 -1.441 0.693) 3.682 4.310 ( 2.579 4.481 10.687) 11.871 4.435 ( -0.431 -5.441 13.462) 14.526 4.999 ( 17.505 1.337 -4.494) 18.122 5.022 ( 14.054 -0.558 -3.852) 14.583 5.422 ( 6.212 3.957 -2.887) 7.911 5.511 ( 2.598 -3.127 -1.604) 4.370 6.271 ( -1.991 1.282 0.095) 2.370 6.346 ( 4.676 -4.548 1.250) 6.642 6.528 ( 8.210 2.220 6.000) 10.409 6.601 ( 6.897 -4.604 3.808) 9.125 6.905 ( -4.724 6.357 -5.090) 9.415 7.040 ( -6.636 -5.307 -6.036) 10.423 7.347 ( 22.006 8.145 1.890) 23.541 7.505 ( 22.363 -4.994 2.480) 23.048 7.644 ( 16.146 2.526 0.117) 16.343 7.727 ( 19.890 -4.322 -0.981) 20.377 8.749 ( -4.993 5.218 -1.338) 7.345 8.837 ( -6.531 -1.980 0.128) 6.826 9.647 ( 18.311 3.569 1.083) 18.687 9.763 ( 14.909 -5.827 0.491) 16.015 10.277 ( 20.403 5.931 6.281) 22.156 10.407 ( 27.587 -4.646 6.522) 28.725 10.591 ( -10.098 0.760 -5.826) 11.682 10.618 ( -10.912 -1.458 -7.391) 13.260 11.340 ( 6.319 1.347 -0.886) 6.522 11.375 ( 8.036 -1.411 -1.432) 8.284 12.244 ( 4.202 2.046 0.937) 4.767 12.292 ( 4.044 -1.766 0.317) 4.424 12.749 ( 8.132 2.125 -9.474) 12.665 12.824 ( 7.140 -3.986 -9.326) 12.404 13.470 ( -9.206 2.684 0.351) 9.596 13.515 ( -8.833 -1.131 0.926) 8.953 14.127 ( 6.663 3.049 -3.866) 8.285 14.209 ( 5.360 -3.557 -4.044) 7.599 14.383 ( 2.413 1.128 -0.808) 2.783 14.404 ( 3.017 -0.594 -0.563) 3.126 15.577 ( 3.824 1.720 1.752) 4.545 15.625 ( 5.105 -2.175 1.790) 5.830 15.938 ( -16.494 1.487 0.209) 16.563 15.973 ( -17.207 -1.277 -1.740) 17.342 16.639 ( -2.765 1.621 6.277) 7.048 16.680 ( -2.835 -1.593 6.964) 7.686 18.008 ( -1.086 2.310 -0.164) 2.558 18.059 ( -3.993 -1.710 -1.359) 4.551 18.408 ( -4.314 2.625 -0.970) 5.142 18.482 ( -4.161 -3.303 -1.779) 5.603 20.113 ( -14.016 0.706 -0.541) 14.045 20.143 ( -12.043 -1.300 -1.040) 12.158 20.166 ( -8.717 1.213 0.232) 8.804 20.191 ( -6.569 -0.798 -0.411) 6.630 20.507 ( -3.249 1.076 1.222) 3.634 20.540 ( -5.530 -1.588 1.103) 5.859 20.908 ( 3.171 4.222 0.591) 5.313 21.043 ( 3.668 -7.154 0.357) 8.048 21.570 ( 0.207 7.877 0.662) 7.907 21.722 ( 1.597 -4.823 1.014) 5.181 21.996 ( -1.812 1.088 -0.315) 2.137 22.034 ( -2.611 -2.051 -0.304) 3.334 23.073 ( 16.980 5.596 -1.238) 17.922 23.190 ( 14.729 -3.871 -1.939) 15.352 26.047 ( -2.127 3.091 2.012) 4.258 26.142 ( -6.421 -4.771 0.758) 8.035 26.405 ( -24.204 2.079 -0.195) 24.294 26.436 ( -24.238 -0.718 0.153) 24.249 27.493 ( -11.208 0.648 2.318) 11.463 27.514 ( -12.353 -0.956 1.935) 12.540 28.002 ( 0.716 1.383 0.623) 1.677 28.032 ( 0.776 -1.060 0.958) 1.626 28.557 ( -13.777 2.154 -0.422) 13.951 28.609 ( -15.247 -1.960 -0.905) 15.399 30.105 ( 29.391 4.976 -4.859) 30.202 30.268 ( 26.249 -8.957 -8.013) 28.870 30.836 ( 11.874 11.950 -4.934) 17.554 31.113 ( 8.131 -12.208 -4.024) 15.210 31.700 ( -4.741 10.801 6.388) 13.415 31.870 ( -9.079 -4.089 9.845) 14.003 32.156 ( 3.049 4.362 -0.925) 5.402 32.313 ( 4.666 -7.953 -3.839) 9.988 35.898 ( 9.300 3.096 1.642) 9.938 35.986 ( 8.820 -3.964 2.159) 9.908 36.797 ( 22.747 11.193 -2.376) 25.463 37.147 ( 22.051 -18.941 -6.157) 29.714 38.284 ( 10.629 21.437 -11.778) 26.669 38.675 ( 7.250 -11.866 -14.304) 19.950 41.158 ( -3.400 1.565 -7.897) 8.739 41.196 ( -4.121 -1.400 -4.924) 6.571 41.677 ( -2.729 5.634 2.375) 6.696 41.845 ( -8.311 -8.059 7.242) 13.655 42.627 ( -18.503 8.345 13.553) 24.407 42.805 ( -24.755 -6.190 14.390) 29.295 ======================= Grid point 55 (31/100) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 9.891 -1.399 3.558) 10.604 1.948 ( 9.351 -2.721 1.853) 9.914 2.158 ( 5.878 2.753 2.638) 7.007 2.167 ( 2.568 2.640 -1.912) 4.150 2.330 ( 4.636 -1.225 -1.051) 4.909 2.374 ( 5.999 -4.340 3.148) 8.046 2.643 ( -1.224 9.436 2.168) 9.759 2.831 ( -1.787 -6.202 3.825) 7.502 2.995 ( 6.256 2.026 4.151) 7.776 3.015 ( 3.898 1.184 0.569) 4.113 3.287 ( 3.702 -0.096 0.897) 3.811 3.361 ( 5.238 -4.647 1.633) 7.191 3.567 ( -1.122 4.811 -6.039) 7.802 3.595 ( -1.999 0.298 -8.106) 8.354 3.647 ( -1.910 3.551 -6.758) 7.869 3.785 ( -0.249 -6.051 -3.394) 6.942 4.071 ( 2.127 1.857 2.504) 3.774 4.118 ( 1.945 -2.021 4.014) 4.897 4.326 ( -4.536 4.376 6.789) 9.263 4.427 ( -6.153 -3.788 10.299) 12.581 5.251 ( 10.078 -0.556 -2.855) 10.490 5.283 ( 11.487 -3.111 -2.619) 12.185 5.528 ( 8.050 4.277 -5.119) 10.455 5.552 ( 5.375 2.021 -2.633) 6.318 6.155 ( -7.268 3.009 -0.581) 7.888 6.301 ( -4.138 -8.894 -1.985) 10.008 6.645 ( -1.584 4.599 -0.393) 4.879 6.701 ( 2.326 0.161 -0.717) 2.439 6.763 ( -6.610 -0.385 3.207) 7.357 6.795 ( -7.869 -2.144 -1.641) 8.320 7.706 ( 13.270 6.944 1.624) 15.065 7.856 ( 13.139 -4.408 2.887) 14.156 8.034 ( 16.101 1.456 2.502) 16.359 8.116 ( 15.623 -5.110 0.051) 16.438 8.612 ( -8.788 3.601 -1.318) 9.588 8.678 ( -9.567 -1.797 -0.927) 9.778 10.018 ( 15.444 1.766 -1.346) 15.603 10.075 ( 13.360 -3.026 -0.372) 13.704 10.486 ( 5.509 0.346 1.639) 5.759 10.501 ( 5.417 -0.801 0.192) 5.479 10.668 ( 13.888 10.665 2.572) 17.699 10.905 ( 17.900 -8.401 1.856) 19.860 11.596 ( 22.279 0.771 -1.632) 22.352 11.624 ( 20.219 -1.476 -1.338) 20.317 12.293 ( 0.955 2.247 0.214) 2.451 12.347 ( 1.923 -2.100 0.035) 2.848 12.939 ( 16.353 1.462 -7.693) 18.131 12.986 ( 14.238 -2.442 -7.252) 16.164 13.315 ( -6.973 2.823 -0.170) 7.525 13.368 ( -7.037 -1.548 0.162) 7.207 14.218 ( 4.962 1.479 -4.679) 6.979 14.266 ( 2.841 -2.500 -3.803) 5.365 14.447 ( 4.462 1.964 -0.438) 4.895 14.482 ( 5.340 -1.039 -0.104) 5.441 15.628 ( -1.681 1.358 3.481) 4.097 15.656 ( -7.832 -0.891 1.181) 7.970 15.696 ( -8.720 0.949 0.193) 8.774 15.726 ( -1.354 -1.424 3.434) 3.956 16.641 ( 0.183 1.478 5.026) 5.242 16.678 ( -0.175 -1.453 5.434) 5.628 17.876 ( -14.028 1.438 -0.251) 14.104 17.909 ( -11.689 -1.122 -0.842) 11.772 18.298 ( -6.172 2.466 -3.019) 7.300 18.363 ( -6.757 -2.702 -3.817) 8.217 19.821 ( -14.174 0.549 -0.149) 14.186 19.849 ( -14.748 -1.536 -0.428) 14.834 19.952 ( -13.274 2.815 0.670) 13.586 20.012 ( -12.226 -2.044 0.754) 12.418 20.447 ( -4.060 0.576 0.571) 4.140 20.466 ( -1.935 -0.954 0.387) 2.192 21.007 ( 4.796 3.771 0.771) 6.150 21.131 ( 4.092 -6.920 0.769) 8.076 21.571 ( -0.288 8.759 0.653) 8.788 21.739 ( -0.182 -5.379 0.708) 5.428 21.965 ( -1.229 0.585 -0.201) 1.376 21.985 ( -2.116 -1.075 0.038) 2.374 23.470 ( 25.115 3.358 -1.072) 25.362 23.544 ( 23.145 -2.570 -1.170) 23.316 25.872 ( -28.024 1.413 0.415) 28.063 25.913 ( -27.109 -1.888 0.434) 27.178 26.070 ( -0.005 1.418 0.679) 1.572 26.098 ( -1.941 -0.919 -0.516) 2.209 27.305 ( -9.675 0.163 1.429) 9.781 27.312 ( -9.650 -0.403 1.395) 9.759 28.003 ( -0.686 1.328 0.397) 1.547 28.032 ( -1.049 -1.016 0.796) 1.664 28.332 ( -9.825 1.051 -0.362) 9.888 28.360 ( -10.875 -1.150 -0.146) 10.936 30.530 ( 17.279 3.018 -2.115) 17.667 30.631 ( 15.124 -5.547 -3.837) 16.560 31.038 ( 10.686 8.945 -1.701) 14.039 31.251 ( 6.840 -9.303 -0.837) 11.577 31.660 ( -1.206 5.721 2.142) 6.227 31.754 ( -6.757 -2.582 4.967) 8.775 32.243 ( 6.510 5.758 -1.852) 8.886 32.398 ( 6.377 -6.538 -4.637) 10.243 36.030 ( 4.166 3.052 1.122) 5.285 36.113 ( 3.798 -3.613 2.326) 5.734 37.188 ( 18.806 10.566 -0.892) 21.589 37.506 ( 18.053 -16.344 -3.572) 24.613 38.458 ( 11.763 16.556 -6.807) 21.419 38.772 ( 8.660 -9.905 -9.928) 16.482 41.075 ( -1.975 1.411 -5.004) 5.561 41.109 ( -3.057 -1.265 -2.717) 4.281 41.633 ( -2.557 2.764 0.520) 3.801 41.708 ( -8.640 -3.192 4.073) 10.071 42.351 ( -16.010 3.816 8.328) 18.446 42.441 ( -19.126 -3.427 8.878) 21.363 ======================= Grid point 56 (32/100) ======================= q-point: ( 0.42 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 4.011 1.052 1.746) 4.500 2.117 ( 5.647 -3.951 1.088) 6.977 2.206 ( 2.712 3.337 1.004) 4.416 2.248 ( 4.047 -0.754 0.314) 4.129 2.405 ( 0.299 2.807 2.339) 3.666 2.446 ( -0.224 -1.480 1.071) 1.841 2.601 ( -1.948 5.209 -0.155) 5.563 2.738 ( -6.897 -5.389 1.110) 8.823 3.084 ( 3.669 2.048 0.405) 4.222 3.168 ( 7.287 -3.832 0.307) 8.239 3.289 ( -1.468 4.179 -4.311) 6.181 3.413 ( 1.484 -4.759 -1.513) 5.209 3.537 ( 2.044 2.984 -4.485) 5.762 3.589 ( 3.421 -1.352 -2.436) 4.412 3.667 ( 3.510 4.005 -1.950) 5.672 3.760 ( -0.819 -3.578 -1.475) 3.956 4.108 ( -0.087 1.175 4.327) 4.485 4.146 ( -1.256 -1.764 4.406) 4.910 4.253 ( -4.554 2.674 3.360) 6.259 4.317 ( -8.266 -2.481 3.226) 9.213 5.336 ( 1.942 -1.142 -3.963) 4.559 5.374 ( 1.373 -3.971 -2.358) 4.818 5.659 ( 8.277 6.415 -1.637) 10.600 5.734 ( 10.258 1.803 -3.007) 10.840 6.028 ( -4.789 5.213 -2.981) 7.681 6.228 ( -1.495 -9.650 -5.686) 11.300 6.519 ( -5.272 2.277 -5.814) 8.172 6.550 ( -7.986 -0.785 -6.238) 10.164 6.799 ( 4.407 1.991 6.017) 7.720 6.845 ( 2.816 -1.748 8.215) 8.859 7.868 ( 3.810 6.453 1.972) 7.749 8.027 ( 4.528 -3.878 1.755) 6.215 8.200 ( 0.021 -0.514 2.085) 2.147 8.280 ( 1.829 -4.430 0.545) 4.823 8.447 ( -4.562 3.063 -2.081) 5.876 8.512 ( -5.795 -2.125 -1.845) 6.442 10.140 ( 2.182 1.195 1.371) 2.841 10.185 ( 2.035 -2.444 2.995) 4.369 10.737 ( 10.053 4.367 3.718) 11.574 10.768 ( 14.590 -0.426 3.654) 15.047 10.847 ( 7.772 8.766 0.708) 11.736 11.103 ( 5.011 -9.539 -1.308) 10.854 12.028 ( 20.057 0.084 -2.694) 20.237 12.043 ( 19.707 -1.138 -0.079) 19.740 12.302 ( 0.449 2.903 0.127) 2.940 12.374 ( 1.110 -2.900 0.354) 3.126 13.199 ( -0.817 1.370 -0.048) 1.595 13.234 ( 5.335 -1.099 -1.778) 5.730 13.254 ( 7.938 0.955 -4.837) 9.344 13.281 ( 11.869 -0.720 -6.150) 13.387 14.272 ( 3.387 0.506 -5.264) 6.280 14.293 ( 2.752 -1.221 -4.777) 5.646 14.532 ( 3.919 2.342 0.412) 4.584 14.581 ( 3.919 -1.677 0.639) 4.310 15.559 ( 0.023 0.327 -0.719) 0.790 15.573 ( 0.323 -0.705 0.209) 0.803 15.662 ( -2.844 2.269 7.515) 8.349 15.712 ( -4.400 -1.804 7.770) 9.110 16.685 ( 1.502 1.591 4.365) 4.883 16.723 ( 1.895 -1.410 4.562) 5.137 17.541 ( -18.469 2.556 -0.164) 18.646 17.605 ( -17.703 -2.539 -0.306) 17.887 18.172 ( -4.122 1.660 -4.382) 6.241 18.217 ( -5.393 -1.932 -4.768) 7.453 19.630 ( -5.911 0.628 -0.024) 5.944 19.650 ( -6.014 -0.931 -0.205) 6.089 19.719 ( -10.533 2.433 0.126) 10.811 19.777 ( -11.591 -2.231 0.317) 11.808 20.392 ( -1.901 1.722 -0.074) 2.566 20.438 ( -1.214 -1.892 0.013) 2.248 21.072 ( 1.830 3.554 0.810) 4.078 21.188 ( 1.601 -6.465 0.751) 6.702 21.568 ( -0.328 8.361 0.343) 8.374 21.729 ( -0.870 -5.268 0.303) 5.348 21.949 ( -0.417 0.336 -0.075) 0.540 21.959 ( -0.748 -0.479 -0.037) 0.889 23.973 ( 27.494 1.970 -0.968) 27.581 24.018 ( 26.079 -1.594 -0.290) 26.130 25.330 ( -28.239 1.697 0.412) 28.293 25.374 ( -27.981 -1.816 0.156) 28.040 26.097 ( 1.004 0.587 -0.442) 1.244 26.110 ( 2.089 -0.430 0.019) 2.133 27.153 ( -6.344 0.521 -0.068) 6.365 27.168 ( -5.976 -0.700 0.328) 6.026 27.986 ( -1.071 0.897 0.347) 1.440 28.006 ( -1.895 -0.689 0.733) 2.145 28.190 ( -4.897 0.576 -0.307) 4.940 28.205 ( -5.360 -0.634 0.094) 5.398 30.746 ( 6.769 1.936 -0.190) 7.043 30.809 ( 5.767 -3.415 -1.046) 6.783 31.201 ( 6.349 6.244 0.070) 8.905 31.337 ( 2.076 -4.764 0.653) 5.238 31.671 ( -3.286 -0.139 1.004) 3.439 31.677 ( 2.035 -0.772 -0.654) 2.273 32.361 ( 6.084 5.756 -1.690) 8.544 32.497 ( 5.612 -5.151 -3.333) 8.315 36.079 ( 0.950 3.125 0.379) 3.288 36.163 ( 0.717 -3.605 1.901) 4.138 37.472 ( 10.879 10.309 0.607) 15.000 37.775 ( 11.101 -15.062 -0.507) 18.718 38.634 ( 8.632 13.494 -3.174) 16.330 38.890 ( 7.383 -8.126 -5.616) 12.332 41.043 ( 0.434 0.704 -2.183) 2.335 41.061 ( -0.989 -0.745 -0.888) 1.523 41.574 ( -6.442 0.753 1.258) 6.607 41.590 ( -1.868 -0.474 -0.824) 2.096 42.113 ( -11.576 2.504 3.001) 12.218 42.179 ( -12.079 -2.660 3.656) 12.897 ======================= Grid point 57 (33/100) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.253 2.000 1.981) 2.826 2.164 ( -0.587 -2.631 0.669) 2.777 2.253 ( 0.842 3.470 0.582) 3.618 2.295 ( -1.570 -0.010 -1.447) 2.135 2.365 ( -5.204 2.259 -1.121) 5.783 2.405 ( 0.353 -0.424 1.994) 2.069 2.586 ( -0.145 -0.856 -1.194) 1.476 2.622 ( -4.514 -3.402 -1.502) 5.849 3.119 ( -0.433 2.438 -2.749) 3.699 3.172 ( -3.251 -0.958 -6.010) 6.900 3.327 ( 5.181 2.809 -0.061) 5.894 3.435 ( 1.184 -5.520 -0.567) 5.674 3.601 ( 4.770 2.346 0.564) 5.346 3.661 ( 4.000 -1.840 0.613) 4.445 3.712 ( 2.661 2.287 -0.262) 3.519 3.754 ( 0.139 -0.926 0.276) 0.976 4.098 ( -2.624 0.189 1.754) 3.162 4.129 ( -2.504 -1.790 2.624) 4.044 4.171 ( -5.121 1.102 -0.823) 5.302 4.198 ( -3.848 -0.998 1.625) 4.295 5.327 ( 0.150 0.842 -5.429) 5.496 5.380 ( 0.968 -3.820 -2.661) 4.755 5.755 ( 1.010 4.322 0.524) 4.470 5.833 ( 1.158 -0.726 -1.487) 2.019 5.971 ( 1.238 8.492 -4.576) 9.726 6.188 ( 0.798 -8.162 -8.350) 11.704 6.411 ( -2.922 0.533 -6.625) 7.260 6.431 ( -1.912 -0.805 -6.376) 6.705 6.902 ( 2.179 2.041 8.262) 8.785 6.933 ( 1.644 -0.355 9.184) 9.337 7.897 ( -0.966 4.569 1.818) 5.011 8.052 ( -3.266 -6.914 -0.804) 7.689 8.124 ( -2.590 5.087 0.099) 5.709 8.253 ( -1.396 -5.803 -2.714) 6.557 8.433 ( 0.611 2.061 -0.585) 2.228 8.487 ( 2.448 -2.133 0.949) 3.383 10.198 ( 2.182 1.354 5.793) 6.336 10.250 ( 2.076 -2.857 6.822) 7.682 10.794 ( -1.404 12.733 0.519) 12.820 10.936 ( 0.749 -0.679 4.088) 4.212 10.970 ( 0.552 1.086 2.480) 2.764 11.127 ( -1.048 -9.599 -3.175) 10.165 12.205 ( -0.386 1.469 -1.829) 2.377 12.253 ( 0.896 -2.172 0.608) 2.427 12.325 ( 1.425 2.775 0.157) 3.124 12.394 ( 0.268 -2.705 0.703) 2.807 13.168 ( -1.984 0.054 -1.533) 2.508 13.173 ( -0.121 -0.301 -1.127) 1.173 13.401 ( 2.178 2.701 -4.497) 5.680 13.464 ( 3.486 -2.332 -5.114) 6.614 14.307 ( 3.324 1.460 -4.431) 5.728 14.344 ( 4.832 -1.465 -5.114) 7.186 14.572 ( -0.376 1.476 0.500) 1.603 14.606 ( -1.409 -1.258 0.621) 1.988 15.592 ( 0.573 0.459 0.839) 1.114 15.609 ( 0.387 -0.887 1.407) 1.707 15.634 ( -3.548 1.092 7.560) 8.422 15.654 ( -5.424 -0.580 8.434) 10.044 16.709 ( -1.149 2.219 3.399) 4.219 16.761 ( -0.550 -1.888 4.070) 4.520 17.332 ( 0.095 2.677 0.146) 2.683 17.401 ( 0.244 -2.776 0.006) 2.787 18.147 ( 3.507 0.559 -3.374) 4.898 18.166 ( 3.217 -0.987 -3.518) 4.869 19.577 ( -0.403 0.975 -0.379) 1.121 19.587 ( -2.313 0.832 -1.463) 2.861 19.610 ( 1.001 -0.341 0.172) 1.071 19.633 ( -1.873 -1.527 -1.451) 2.819 20.373 ( -0.079 1.956 -0.309) 1.982 20.424 ( -0.137 -2.089 -0.214) 2.104 21.091 ( -0.027 3.487 0.884) 3.598 21.203 ( -0.198 -6.183 0.632) 6.218 21.561 ( -0.422 8.059 -0.034) 8.070 21.717 ( -0.392 -5.090 -0.002) 5.105 21.945 ( -0.056 0.239 -0.132) 0.279 21.952 ( -0.067 -0.320 -0.185) 0.375 24.344 ( 0.890 1.121 -0.301) 1.463 24.369 ( 1.187 -0.870 0.206) 1.486 24.951 ( -1.459 2.553 0.161) 2.945 25.017 ( 0.261 -2.687 0.158) 2.705 26.101 ( -0.648 1.052 -1.105) 1.658 26.125 ( -0.576 -0.910 -0.624) 1.244 27.080 ( -0.782 0.731 -1.032) 1.487 27.100 ( -0.897 -0.822 -0.690) 1.399 27.977 ( 0.084 0.352 0.416) 0.551 27.983 ( -0.435 -0.181 0.712) 0.854 28.147 ( 0.448 0.273 -0.077) 0.530 28.155 ( -0.192 -0.339 -0.069) 0.396 30.809 ( 0.435 1.902 0.459) 2.004 30.871 ( 1.464 -3.220 0.622) 3.591 31.261 ( -0.161 4.441 0.403) 4.462 31.343 ( -1.270 -2.260 0.155) 2.597 31.629 ( -1.460 1.911 -1.053) 2.625 31.701 ( 0.115 -3.996 -1.356) 4.221 32.429 ( 1.396 5.919 -0.862) 6.142 32.565 ( 2.484 -4.966 -1.400) 5.726 36.080 ( -0.668 3.246 -0.251) 3.324 36.168 ( -0.821 -3.782 1.381) 4.109 37.591 ( 0.954 10.736 1.816) 10.930 37.907 ( 2.259 -15.829 2.086) 16.125 38.735 ( 2.954 13.423 -0.699) 13.762 38.983 ( 4.121 -7.641 -2.057) 8.922 41.068 ( 1.901 -0.014 0.811) 2.067 41.074 ( 3.247 -0.558 0.666) 3.362 41.491 ( -2.205 3.288 -1.095) 4.108 41.564 ( -0.054 -2.586 -1.302) 2.896 41.954 ( -5.409 2.106 -2.739) 6.419 42.009 ( -6.801 -2.219 -1.054) 7.231 ======================= Grid point 58 (34/100) ======================= q-point: (-0.42 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -6.881 0.491 0.647) 6.929 2.081 ( -8.328 -0.981 -1.033) 8.449 2.179 ( -6.910 1.314 -3.279) 7.760 2.218 ( -2.925 -1.550 -2.756) 4.307 2.315 ( -1.111 6.104 0.765) 6.251 2.437 ( 0.224 -3.286 1.521) 3.628 2.545 ( -1.471 0.321 -3.049) 3.401 2.586 ( 0.397 -2.216 -4.732) 5.241 3.056 ( -3.924 1.098 -3.194) 5.178 3.068 ( -5.252 0.583 -3.414) 6.291 3.380 ( -0.513 1.024 -0.787) 1.390 3.418 ( -3.884 -2.299 1.398) 4.725 3.658 ( 2.340 1.144 -6.132) 6.663 3.699 ( -1.587 -1.872 -8.444) 8.794 3.774 ( 5.187 2.911 7.062) 9.233 3.833 ( 6.074 -1.567 7.328) 9.646 4.031 ( -1.933 2.436 -2.049) 3.723 4.095 ( -0.918 -2.354 1.035) 2.730 4.125 ( -2.164 -0.125 1.723) 2.768 4.148 ( -2.245 -1.762 2.545) 3.824 5.310 ( 1.051 1.689 -6.088) 6.405 5.376 ( -0.214 -4.136 -3.344) 5.323 5.701 ( -6.694 4.246 1.498) 8.068 5.785 ( -6.151 -1.896 -0.590) 6.463 6.013 ( 4.596 6.986 -3.390) 9.023 6.186 ( 2.863 -6.278 -7.970) 10.542 6.380 ( 0.588 0.311 -6.587) 6.621 6.385 ( 4.310 -0.068 -7.009) 8.229 6.953 ( -0.501 2.127 9.369) 9.620 6.983 ( -0.726 -0.200 9.061) 9.092 7.861 ( -4.205 3.318 1.861) 5.670 7.962 ( -5.305 -4.271 -1.520) 6.979 8.097 ( -2.634 3.329 -1.162) 4.401 8.213 ( -2.689 -6.448 -1.912) 7.243 8.476 ( 4.897 3.493 -0.272) 6.022 8.554 ( 4.336 -2.580 0.060) 5.046 10.237 ( -2.922 0.882 3.933) 4.978 10.274 ( -5.074 -2.199 4.166) 6.924 10.720 ( -7.244 11.596 -0.311) 13.677 10.879 ( -8.469 -1.775 8.182) 11.909 10.890 ( -7.073 1.504 6.642) 9.818 11.029 ( -7.870 -8.577 -4.349) 12.427 12.006 ( -18.684 2.962 -1.796) 19.002 12.090 ( -18.436 -3.776 0.332) 18.821 12.323 ( -1.167 2.721 1.383) 3.268 12.387 ( -1.361 -2.432 1.012) 2.965 13.153 ( 1.032 1.314 -1.953) 2.570 13.195 ( 2.191 -2.027 -2.051) 3.621 13.308 ( -7.345 2.816 -3.580) 8.643 13.365 ( -8.823 -1.743 -3.203) 9.547 14.355 ( 3.119 1.608 -2.439) 4.273 14.400 ( 1.999 -2.020 -1.697) 3.310 14.522 ( -3.995 1.507 -0.099) 4.271 14.554 ( -3.895 -1.081 -0.553) 4.080 15.558 ( -7.932 0.910 4.687) 9.259 15.572 ( -3.458 0.343 1.985) 4.002 15.596 ( -1.189 0.200 3.028) 3.259 15.619 ( 1.867 -1.134 1.228) 2.506 16.699 ( -0.836 2.137 4.128) 4.723 16.752 ( -1.764 -2.081 4.875) 5.587 17.544 ( 18.355 2.737 -0.068) 18.558 17.614 ( 18.235 -2.830 0.046) 18.453 18.242 ( 6.810 1.467 -1.201) 7.069 18.284 ( 8.288 -1.820 -1.633) 8.641 19.620 ( 6.449 0.769 -0.618) 6.524 19.632 ( 8.083 0.239 -1.601) 8.243 19.692 ( 8.045 -0.045 -0.210) 8.048 19.710 ( 10.122 -1.183 -2.167) 10.419 20.386 ( 1.640 1.684 -0.312) 2.371 20.431 ( 1.008 -1.895 -0.309) 2.169 21.081 ( -1.713 3.323 1.223) 3.933 21.188 ( -1.823 -5.941 0.795) 6.265 21.553 ( -0.354 8.391 -0.315) 8.404 21.714 ( 0.077 -5.191 -0.282) 5.199 21.949 ( 0.718 0.070 -0.196) 0.748 21.954 ( 0.407 -0.308 -0.290) 0.587 24.000 ( -26.520 1.592 -0.020) 26.568 24.035 ( -25.727 -1.202 0.561) 25.761 25.315 ( 28.613 2.387 -0.174) 28.713 25.377 ( 27.737 -2.604 0.286) 27.861 26.055 ( -3.182 1.418 -2.262) 4.154 26.088 ( -2.308 -1.257 -1.477) 3.015 27.115 ( 4.825 0.658 -1.134) 5.000 27.132 ( 4.614 -0.697 -0.940) 4.760 27.986 ( 0.579 0.625 0.294) 0.901 28.000 ( 1.283 -0.442 0.510) 1.450 28.197 ( 4.875 0.479 -0.043) 4.899 28.210 ( 6.335 -0.582 0.351) 6.372 30.775 ( -4.539 2.985 0.891) 5.505 30.872 ( -2.363 -5.220 1.356) 5.888 31.210 ( -4.755 5.406 0.597) 7.225 31.301 ( -2.765 -2.332 -0.272) 3.627 31.595 ( -1.388 1.577 -2.339) 3.144 31.658 ( -3.734 -3.603 -1.626) 5.438 32.401 ( -3.984 7.139 -0.112) 8.176 32.569 ( -1.761 -6.360 -0.206) 6.603 36.052 ( -2.207 3.441 -0.644) 4.138 36.147 ( -2.155 -4.133 1.070) 4.783 37.524 ( -9.069 11.617 2.649) 14.974 37.873 ( -7.297 -18.003 3.280) 19.700 38.742 ( -2.010 15.614 1.030) 15.777 39.019 ( 0.322 -8.244 -0.394) 8.260 41.140 ( 4.882 0.740 2.514) 5.541 41.173 ( 6.113 -2.135 3.166) 7.207 41.486 ( 2.406 4.780 -1.961) 5.699 41.581 ( 2.091 -3.004 -0.231) 3.667 41.877 ( 0.128 0.996 -9.175) 9.230 41.907 ( -2.226 -1.378 -6.133) 6.668 ======================= Grid point 59 (35/100) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -14.332 2.244 -3.798) 14.995 1.857 ( -13.754 1.509 -6.084) 15.115 2.024 ( -9.571 -1.978 0.403) 9.782 2.090 ( -10.371 -5.573 -4.417) 12.575 2.307 ( 0.115 6.793 1.259) 6.909 2.427 ( -1.363 -3.569 2.150) 4.384 2.517 ( -0.030 2.479 -4.022) 4.725 2.573 ( 0.790 -1.662 -5.081) 5.404 2.914 ( -7.846 3.862 -0.935) 8.795 2.992 ( -3.026 -2.737 -3.023) 5.078 3.292 ( -8.257 0.439 1.959) 8.497 3.305 ( -8.312 -0.661 0.900) 8.386 3.593 ( -2.694 2.571 -14.489) 14.960 3.664 ( 2.708 -2.641 -13.961) 14.464 3.887 ( 1.553 4.409 7.192) 8.578 3.978 ( 3.716 -2.259 7.902) 9.020 4.038 ( 1.989 2.301 4.155) 5.149 4.094 ( -0.664 -1.851 2.133) 2.901 4.117 ( 0.516 -0.903 3.704) 3.847 4.139 ( 0.971 -2.069 2.591) 3.455 5.297 ( -0.466 -0.321 -5.246) 5.276 5.331 ( -3.019 -3.299 -3.791) 5.863 5.531 ( -11.313 3.731 0.259) 11.915 5.583 ( -13.780 -0.111 -0.481) 13.789 6.092 ( 4.666 3.143 -3.073) 6.411 6.195 ( 1.777 -5.238 -5.339) 7.687 6.444 ( 8.650 4.240 -6.553) 11.651 6.518 ( 10.167 -2.347 -3.996) 11.173 7.003 ( 1.532 0.992 8.189) 8.390 7.013 ( 1.719 0.448 6.902) 7.127 7.695 ( -15.651 2.750 0.353) 15.895 7.786 ( -13.870 -4.637 -0.582) 14.636 7.971 ( -11.143 3.968 0.719) 11.850 8.078 ( -12.378 -4.931 -0.333) 13.328 8.610 ( 8.469 2.723 -0.610) 8.917 8.662 ( 7.418 -1.317 -1.456) 7.674 10.007 ( -21.817 0.874 -1.192) 21.867 10.037 ( -18.063 -1.682 -1.300) 18.188 10.485 ( -17.961 8.791 -2.648) 20.172 10.691 ( -21.749 -7.846 -4.309) 23.519 10.855 ( -0.496 2.102 11.708) 11.905 10.911 ( 1.719 -2.368 13.169) 13.490 11.598 ( -19.357 3.452 -0.822) 19.679 11.686 ( -20.252 -3.605 0.637) 20.581 12.285 ( -3.527 2.606 0.309) 4.396 12.346 ( -3.427 -2.272 0.198) 4.117 13.080 ( -7.458 0.416 -1.793) 7.682 13.120 ( -7.583 -2.789 -0.903) 8.130 13.278 ( 5.758 2.745 -2.067) 6.705 13.315 ( 5.344 -0.307 -2.305) 5.828 14.386 ( -1.010 -0.330 0.768) 1.311 14.397 ( -0.291 -1.148 0.919) 1.499 14.464 ( -2.265 1.579 0.258) 2.774 14.481 ( -2.607 0.168 -0.398) 2.643 15.394 ( -8.745 2.342 -4.272) 10.011 15.463 ( -7.737 -3.340 -2.266) 8.726 15.689 ( 10.114 3.278 0.656) 10.652 15.757 ( 11.925 -2.280 1.702) 12.260 16.726 ( 0.675 1.104 6.556) 6.682 16.757 ( -0.762 -1.393 7.142) 7.317 17.863 ( 12.873 2.773 -0.762) 13.190 17.931 ( 12.864 -2.609 -0.009) 13.126 18.350 ( 4.570 2.180 -0.548) 5.093 18.409 ( 5.295 -2.488 -1.414) 6.019 19.825 ( 15.094 1.081 0.188) 15.134 19.861 ( 15.807 -1.138 -0.340) 15.852 19.918 ( 15.151 1.110 -0.241) 15.194 19.954 ( 14.992 -1.431 -1.567) 15.141 20.433 ( 3.527 0.677 0.025) 3.592 20.458 ( 2.136 -1.307 -0.139) 2.508 21.030 ( -4.662 3.420 1.855) 6.073 21.139 ( -3.926 -5.947 1.232) 7.232 21.549 ( 0.291 8.843 -0.325) 8.854 21.713 ( -0.172 -4.837 -0.302) 4.850 21.965 ( 1.076 0.052 -0.340) 1.130 21.977 ( 2.462 -0.986 -0.367) 2.678 23.505 ( -24.692 2.963 0.325) 24.872 23.568 ( -22.567 -2.092 -0.177) 22.664 25.861 ( 26.814 1.077 -0.095) 26.835 25.897 ( 20.312 -1.943 -0.537) 20.412 26.001 ( 5.302 2.441 -2.268) 6.263 26.051 ( 1.361 -1.772 -2.896) 3.658 27.244 ( 8.996 0.512 -0.191) 9.013 27.259 ( 9.270 -0.660 -0.491) 9.306 27.995 ( 0.132 1.052 0.054) 1.061 28.020 ( 0.501 -0.949 0.307) 1.116 28.339 ( 10.038 1.968 0.080) 10.230 28.387 ( 11.846 -1.810 0.866) 12.015 30.618 ( -13.687 4.267 1.106) 14.379 30.753 ( -11.705 -7.141 1.076) 13.754 31.130 ( -3.314 6.947 1.106) 7.776 31.261 ( -0.980 -4.061 1.283) 4.370 31.549 ( -2.576 0.117 -3.650) 4.469 31.562 ( -4.493 -0.746 -2.288) 5.097 32.297 ( -6.226 7.796 0.257) 9.980 32.498 ( -5.488 -8.164 -0.185) 9.839 35.984 ( -4.929 3.748 -0.635) 6.225 36.090 ( -4.652 -4.783 1.058) 6.756 37.283 ( -17.505 12.564 2.836) 21.733 37.668 ( -15.662 -20.512 2.995) 25.981 38.684 ( -4.257 18.433 0.755) 18.934 38.997 ( -1.965 -8.871 -1.346) 9.185 41.272 ( 7.436 1.332 3.413) 8.290 41.325 ( 8.080 -3.430 2.726) 9.192 41.556 ( 4.385 4.519 2.247) 6.685 41.620 ( 0.923 -0.943 2.924) 3.208 41.848 ( 2.173 1.532 -14.823) 15.060 41.905 ( 8.118 -2.765 -12.952) 15.534 ======================= Grid point 60 (36/100) ======================= q-point: (-0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -21.539 9.050 -7.076) 24.411 1.586 ( -13.164 2.762 -2.169) 13.624 1.770 ( -19.746 -8.108 -5.322) 22.000 1.843 ( -10.704 -9.882 4.048) 15.120 2.296 ( -2.242 7.704 -2.623) 8.442 2.411 ( -1.917 -2.535 2.106) 3.812 2.518 ( 0.517 2.778 -0.216) 2.834 2.553 ( -1.467 1.659 -1.040) 2.447 2.789 ( -4.540 5.591 -0.475) 7.218 2.909 ( -3.994 -4.585 -3.080) 6.816 3.119 ( -10.710 0.392 1.457) 10.816 3.136 ( -9.482 -0.794 2.319) 9.794 3.466 ( -3.873 4.537 -14.165) 15.370 3.609 ( -1.511 -6.705 -15.343) 16.812 3.899 ( -1.599 7.005 2.365) 7.565 4.016 ( -1.654 0.091 4.651) 4.937 4.059 ( -3.268 -1.124 3.417) 4.860 4.117 ( 0.742 -2.248 5.491) 5.980 4.179 ( 2.685 0.042 6.433) 6.971 4.211 ( 3.269 -1.773 5.343) 6.510 5.158 ( -14.190 0.174 1.389) 14.259 5.196 ( -11.037 -3.051 -0.340) 11.456 5.340 ( -6.633 2.599 -6.176) 9.429 5.379 ( -3.445 -0.510 -7.429) 8.205 6.141 ( 0.673 1.799 -3.695) 4.165 6.211 ( 0.866 -3.940 -3.961) 5.654 6.481 ( -8.992 0.551 -2.344) 9.309 6.497 ( -15.232 -1.302 1.916) 15.407 7.123 ( 2.898 2.391 6.246) 7.289 7.172 ( 8.543 -1.680 1.403) 8.819 7.304 ( -16.648 5.921 -2.082) 17.792 7.455 ( -16.175 -6.563 -0.899) 17.479 7.692 ( -16.319 3.909 2.169) 16.921 7.768 ( -16.795 -2.595 1.672) 17.076 8.750 ( 5.994 2.920 -0.564) 6.692 8.799 ( 7.156 -1.019 -2.048) 7.513 9.597 ( -17.577 3.825 -1.191) 18.028 9.708 ( -13.542 -4.992 -2.213) 14.602 10.044 ( -24.669 3.576 -3.122) 25.122 10.116 ( -30.659 -2.171 -5.294) 31.189 10.988 ( 6.472 2.091 11.059) 12.983 11.067 ( 7.395 -4.273 11.274) 14.144 11.367 ( -6.067 2.043 0.323) 6.410 11.416 ( -9.010 -1.941 0.408) 9.225 12.200 ( -5.091 2.535 -0.938) 5.764 12.262 ( -5.082 -2.398 -0.880) 5.688 12.953 ( -5.144 1.290 -0.928) 5.384 13.007 ( -4.225 -3.187 -0.619) 5.328 13.422 ( 9.640 1.828 -1.565) 9.936 13.443 ( 8.850 -0.083 -2.104) 9.097 14.359 ( -2.078 1.165 2.880) 3.738 14.386 ( -1.147 -0.616 -0.210) 1.319 14.412 ( -4.264 2.375 3.056) 5.758 14.462 ( -1.548 -1.782 4.706) 5.265 15.222 ( -4.554 1.809 -12.549) 13.472 15.287 ( -6.970 -3.541 -9.313) 12.160 15.956 ( 16.947 4.395 0.616) 17.519 16.054 ( 17.670 -3.463 1.442) 18.064 16.769 ( -0.185 0.274 8.296) 8.303 16.781 ( -1.106 -0.707 10.044) 10.130 17.993 ( 2.222 3.497 -0.928) 4.246 18.073 ( 2.978 -2.777 -0.787) 4.148 18.409 ( 2.191 2.273 -0.628) 3.219 18.476 ( 3.015 -3.171 -1.440) 4.606 20.128 ( 13.446 1.148 0.180) 13.496 20.144 ( 11.502 0.553 -0.775) 11.541 20.192 ( 10.525 -0.155 0.052) 10.526 20.213 ( 13.851 -1.729 1.472) 14.036 20.501 ( 3.468 0.981 0.586) 3.651 20.540 ( 6.315 -2.356 0.670) 6.774 20.935 ( -4.685 4.175 1.988) 6.582 21.061 ( -4.037 -6.375 1.441) 7.683 21.560 ( 0.709 8.076 0.147) 8.109 21.701 ( -1.106 -3.754 0.291) 3.925 21.991 ( 1.856 0.860 -0.659) 2.149 22.032 ( 3.253 -2.466 -0.566) 4.121 23.109 ( -16.803 5.467 0.184) 17.671 23.218 ( -13.843 -3.341 -0.960) 14.273 25.931 ( 1.055 2.685 -2.555) 3.853 26.017 ( 2.411 -4.293 -4.722) 6.822 26.402 ( 24.290 1.779 -0.171) 24.355 26.430 ( 23.728 -0.679 -0.007) 23.737 27.436 ( 11.101 1.427 0.451) 11.202 27.485 ( 14.385 -2.559 1.377) 14.676 27.986 ( -1.270 1.206 0.002) 1.751 28.016 ( -1.271 -1.153 0.276) 1.739 28.569 ( 14.254 4.065 0.146) 14.823 28.656 ( 16.135 -2.955 1.089) 16.439 30.244 ( -26.517 6.820 0.350) 27.382 30.454 ( -19.932 -10.615 0.274) 22.584 31.085 ( -2.189 9.006 -1.602) 9.405 31.273 ( 0.134 -7.072 0.325) 7.081 31.473 ( -1.560 1.862 1.291) 2.751 31.495 ( -2.078 -0.267 -2.272) 3.091 32.201 ( -3.624 5.808 0.730) 6.885 32.376 ( -6.669 -8.241 -0.677) 10.623 35.852 ( -8.916 4.008 -0.107) 9.776 35.970 ( -8.817 -5.573 1.279) 10.509 36.909 ( -22.852 12.996 2.084) 26.372 37.324 ( -21.704 -23.342 1.019) 31.890 38.605 ( -2.824 21.675 -4.162) 22.251 38.945 ( -1.588 -8.676 -5.506) 10.397 41.433 ( 7.708 0.712 -0.092) 7.741 41.473 ( 6.592 -2.866 -3.331) 7.922 41.605 ( -0.117 3.222 4.773) 5.760 41.678 ( 1.800 -2.534 5.518) 6.333 41.873 ( 9.999 10.132 -14.423) 20.265 42.082 ( 15.832 -6.927 -8.588) 19.297 ======================= Grid point 61 (37/100) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -19.179 11.404 4.634) 22.790 1.344 ( -22.449 -1.945 1.826) 22.607 1.362 ( -9.721 0.357 -0.157) 9.729 1.681 ( -8.047 -14.684 2.916) 16.997 2.171 ( -13.379 7.582 1.558) 15.457 2.297 ( -11.538 0.297 -0.193) 11.544 2.467 ( -3.003 5.903 4.898) 8.237 2.575 ( 1.120 -0.291 1.159) 1.638 2.715 ( -4.840 5.949 -0.771) 7.708 2.820 ( -5.119 -1.884 -3.415) 6.436 2.919 ( -9.984 1.501 0.753) 10.124 2.978 ( -8.346 -3.361 2.110) 9.241 3.302 ( -7.883 3.647 -8.834) 12.389 3.461 ( -7.797 -9.980 -10.341) 16.351 3.871 ( -2.026 7.704 -0.548) 7.984 3.960 ( -5.623 -0.344 1.574) 5.849 4.014 ( -3.156 2.103 3.730) 5.319 4.093 ( -6.005 -2.856 3.437) 7.485 4.235 ( 0.453 -0.015 3.428) 3.458 4.288 ( 1.963 -3.661 7.497) 8.570 4.901 ( -11.308 2.531 0.527) 11.600 4.974 ( -10.151 -3.700 -0.760) 10.831 5.170 ( -10.334 3.793 -7.030) 13.062 5.249 ( -10.690 -2.883 -8.206) 13.781 5.877 ( -23.657 0.534 2.475) 23.792 5.932 ( -25.822 -5.346 -0.124) 26.370 6.259 ( -6.436 2.705 -1.920) 7.241 6.328 ( -2.502 -3.760 -2.451) 5.139 6.712 ( -26.119 8.717 -2.458) 27.644 6.870 ( -25.287 -4.963 -0.821) 25.783 7.387 ( -1.303 3.760 5.072) 6.447 7.456 ( 2.245 -1.777 2.891) 4.069 7.655 ( 10.804 2.296 -1.532) 11.151 7.733 ( 19.396 -3.846 -1.023) 19.800 8.812 ( 0.582 4.287 -2.281) 4.890 8.877 ( 2.043 -1.031 -3.626) 4.288 9.364 ( -7.598 4.468 -0.130) 8.815 9.500 ( -8.990 -6.483 -1.088) 11.137 9.622 ( -15.126 1.782 -0.826) 15.253 9.669 ( -15.540 -1.540 -0.700) 15.632 11.164 ( 7.391 2.279 6.473) 10.086 11.260 ( 6.992 -4.817 4.218) 9.481 11.304 ( -1.077 0.280 1.777) 2.096 11.323 ( -1.862 -0.843 0.972) 2.264 12.096 ( -5.085 2.491 -0.752) 5.713 12.161 ( -4.906 -2.708 -1.019) 5.696 12.861 ( -4.259 1.815 -2.087) 5.078 12.927 ( -4.328 -3.689 -2.496) 6.210 13.608 ( 10.288 1.396 -1.007) 10.431 13.620 ( 10.634 0.236 -1.852) 10.797 14.288 ( -8.331 4.467 7.719) 12.204 14.365 ( -0.462 1.666 -0.593) 1.827 14.371 ( -1.752 -0.077 -0.111) 1.757 14.424 ( -5.746 -4.940 7.676) 10.786 15.122 ( 1.518 1.142 -15.782) 15.896 15.158 ( 0.093 -1.839 -14.281) 14.399 16.290 ( 16.956 4.273 0.471) 17.492 16.389 ( 16.031 -3.705 0.926) 16.479 16.788 ( -2.180 0.613 9.567) 9.832 16.812 ( -1.742 -1.357 13.407) 13.587 17.985 ( -1.279 3.862 -0.877) 4.161 18.074 ( -1.042 -3.051 -1.943) 3.764 18.437 ( 1.289 2.543 -0.313) 2.868 18.522 ( 2.360 -4.479 -0.636) 5.102 20.231 ( -2.883 1.933 0.135) 3.474 20.254 ( 1.029 0.981 -0.002) 1.422 20.303 ( -1.455 -0.227 1.204) 1.902 20.348 ( -0.932 -1.730 2.170) 2.927 20.574 ( 4.027 1.892 0.778) 4.517 20.653 ( 5.184 -5.258 0.721) 7.419 20.988 ( 9.893 2.878 0.492) 10.315 21.075 ( 6.102 -4.646 0.902) 7.723 21.561 ( -1.323 6.450 0.670) 6.618 21.673 ( -2.333 -2.969 1.034) 3.915 22.022 ( 1.619 1.411 -1.042) 2.387 22.077 ( 1.527 -2.886 -0.879) 3.381 22.888 ( -6.380 8.803 -0.774) 10.899 23.041 ( -4.658 -4.098 -1.754) 6.448 25.991 ( 6.197 1.821 -0.329) 6.467 26.059 ( 4.469 -3.770 -5.169) 7.804 26.779 ( 15.250 1.445 -0.300) 15.321 26.801 ( 15.047 -0.408 0.218) 15.054 27.654 ( 11.002 3.630 0.889) 11.620 27.792 ( 15.881 -8.101 2.187) 17.962 27.945 ( -2.851 1.158 0.340) 3.096 27.973 ( -3.229 -1.111 0.554) 3.459 28.870 ( 16.527 6.280 -0.008) 17.680 28.992 ( 17.654 -3.955 0.628) 18.102 29.641 ( -35.387 10.008 -1.231) 36.795 29.984 ( -30.442 -19.916 -3.112) 36.511 31.007 ( -2.147 13.707 -14.408) 20.002 31.229 ( -0.711 -6.473 -10.040) 11.966 31.485 ( 2.329 4.447 4.918) 7.028 31.596 ( 8.000 -4.594 19.518) 21.588 32.177 ( 0.271 2.261 2.022) 3.045 32.262 ( -4.587 -5.097 -0.180) 6.859 35.657 ( -11.291 4.071 0.704) 12.023 35.774 ( -12.173 -5.577 1.495) 13.473 36.463 ( -24.477 10.979 0.207) 26.828 36.851 ( -28.441 -24.962 -4.265) 38.081 38.549 ( 2.307 25.659 -17.219) 30.988 38.893 ( 0.735 -7.252 -12.822) 14.749 41.495 ( -0.751 -0.081 -4.349) 4.414 41.512 ( 1.669 -1.399 -5.206) 5.643 41.664 ( 4.107 3.821 -5.441) 7.815 41.740 ( 6.491 -1.840 -3.398) 7.554 42.104 ( 15.926 16.380 6.414) 23.729 42.426 ( 21.198 -9.804 7.324) 24.477 ======================= Grid point 62 (38/100) ======================= q-point: (-0.08 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -14.354 10.945 13.596) 22.598 1.053 ( -8.792 4.538 14.016) 17.156 1.207 ( -10.753 -1.558 3.870) 11.534 1.557 ( -7.949 -14.687 3.607) 17.085 1.706 ( -31.954 19.605 12.958) 39.665 2.120 ( -6.673 -4.450 -2.165) 8.308 2.447 ( -5.315 1.181 5.073) 7.442 2.508 ( -9.197 0.328 -0.224) 9.206 2.603 ( -11.592 1.723 3.622) 12.266 2.640 ( -0.675 3.067 -0.272) 3.152 2.810 ( -4.061 -1.166 2.523) 4.921 2.854 ( -5.453 -7.212 0.168) 9.043 3.087 ( -10.725 2.913 -1.264) 11.185 3.238 ( -11.083 -10.398 -1.990) 15.327 3.804 ( -4.087 3.388 0.452) 5.328 3.859 ( -4.591 -1.193 1.098) 4.869 3.931 ( -8.037 0.767 -2.333) 8.404 3.943 ( -8.331 -0.035 1.581) 8.480 4.237 ( 0.995 8.753 -3.058) 9.325 4.425 ( 9.755 -7.654 1.812) 12.531 4.765 ( -3.888 3.119 -3.223) 5.936 4.817 ( -7.613 -0.973 -2.623) 8.111 4.949 ( -5.554 0.927 -2.192) 6.043 4.970 ( -7.037 -0.193 2.237) 7.387 5.618 ( -6.776 0.542 -1.034) 6.876 5.663 ( -2.866 -2.379 1.241) 3.926 5.957 ( -20.129 5.494 -2.977) 21.077 6.061 ( -20.589 -2.805 -3.512) 21.074 6.506 ( 1.842 4.138 -1.073) 4.655 6.611 ( -2.063 -3.822 -0.551) 4.378 7.379 ( -2.499 1.234 5.022) 5.743 7.478 ( 1.439 -6.128 -0.611) 6.325 7.918 ( 13.144 9.240 -2.539) 16.266 8.100 ( 16.687 -6.163 -1.361) 17.840 8.755 ( -2.744 4.272 -4.019) 6.476 8.854 ( -2.284 -3.117 -3.403) 5.149 9.269 ( -3.218 3.167 -1.424) 4.734 9.365 ( -5.515 -4.391 -0.962) 7.115 9.455 ( -4.980 1.212 4.167) 6.606 9.497 ( -4.747 -1.596 7.615) 9.115 11.269 ( -0.365 0.595 0.626) 0.937 11.286 ( 0.187 -0.471 0.266) 0.572 11.323 ( 3.873 2.577 1.931) 5.037 11.408 ( 3.016 -4.547 0.241) 5.461 12.026 ( -1.872 1.030 0.111) 2.139 12.070 ( -4.122 -2.421 -0.578) 4.815 12.768 ( -3.873 1.085 -4.025) 5.690 12.804 ( -6.366 -2.121 -4.988) 8.361 13.786 ( 8.657 1.780 -1.306) 8.934 13.802 ( 8.670 0.171 -1.443) 8.791 14.152 ( -8.409 3.321 3.683) 9.762 14.248 ( -10.498 -4.329 4.128) 12.083 14.362 ( 0.324 2.139 -1.484) 2.623 14.387 ( -0.217 0.275 -1.387) 1.430 15.143 ( 6.518 0.362 -12.168) 13.808 15.159 ( 6.704 -1.106 -11.206) 13.105 16.550 ( 9.496 2.995 -0.015) 9.957 16.621 ( 7.497 -2.715 0.270) 7.978 16.780 ( -3.747 1.345 10.841) 11.549 16.838 ( -3.015 -3.994 15.908) 16.677 17.977 ( 1.552 3.014 -1.534) 3.721 18.052 ( 0.382 -3.004 -2.276) 3.788 18.458 ( 0.757 2.701 0.549) 2.859 18.542 ( -0.715 -4.620 -0.038) 4.675 20.038 ( -12.805 5.848 1.610) 14.169 20.172 ( -9.816 -4.503 0.285) 10.804 20.268 ( -0.317 0.848 0.056) 0.907 20.310 ( -2.756 -3.160 0.980) 4.306 20.662 ( 4.267 1.579 0.401) 4.567 20.726 ( 1.689 -4.773 -0.196) 5.067 21.188 ( 8.702 1.446 -0.467) 8.834 21.227 ( 6.992 -2.238 0.807) 7.386 21.515 ( -3.359 5.680 0.795) 6.647 21.621 ( -3.405 -3.129 0.818) 4.696 22.038 ( 0.742 1.153 -1.379) 1.944 22.083 ( -0.121 -2.385 -1.102) 2.630 22.850 ( 2.500 10.448 -4.516) 11.654 22.997 ( 0.287 -3.458 -3.081) 4.640 26.146 ( 7.047 0.043 0.424) 7.060 26.158 ( 10.111 -0.959 4.555) 11.131 26.975 ( 6.318 1.484 -0.458) 6.506 26.996 ( 5.907 -0.205 0.314) 5.919 27.819 ( 4.880 4.180 0.395) 6.437 27.880 ( -2.181 0.948 0.272) 2.393 27.915 ( -2.662 -0.841 1.253) 3.060 28.038 ( 3.665 -15.422 1.222) 15.899 28.890 ( -28.575 1.742 -0.552) 28.634 28.951 ( -24.024 -3.781 -1.377) 24.358 29.385 ( 12.080 0.997 -1.209) 12.181 29.444 ( -5.640 -5.867 -7.913) 11.351 30.888 ( -0.193 20.151 -26.597) 33.369 31.184 ( 1.556 -8.500 -14.343) 16.745 31.612 ( 5.592 10.627 10.572) 15.999 31.915 ( 10.833 -15.911 22.814) 29.849 32.227 ( 1.625 -0.557 5.543) 5.803 32.230 ( 3.129 -0.446 6.598) 7.316 35.481 ( -6.281 3.866 1.013) 7.445 35.562 ( -9.850 -3.097 1.210) 10.396 36.032 ( -18.864 4.125 -1.595) 19.376 36.205 ( -33.835 -13.429 -9.063) 37.514 38.506 ( 5.392 29.889 -37.504) 48.259 38.845 ( 2.276 -5.855 -20.787) 21.716 41.464 ( 0.317 0.897 -3.588) 3.712 41.498 ( 0.135 -1.804 -3.998) 4.388 41.695 ( 4.014 6.966 -11.443) 13.985 41.839 ( 4.769 -5.679 -3.627) 8.255 42.537 ( 22.719 23.522 18.666) 37.654 42.958 ( 27.599 -13.349 24.630) 39.326 ======================= Grid point 75 (39/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -13.070 0.000 20.480) 24.295 0.944 ( -2.704 0.000 19.091) 19.282 1.524 ( 5.448 0.000 6.930) 8.815 1.690 ( 6.755 0.000 -3.505) 7.610 1.950 ( 3.713 0.000 2.225) 4.329 2.055 ( 0.286 0.000 26.195) 26.197 2.173 ( 3.113 0.000 4.856) 5.768 2.322 ( -0.042 0.000 -3.020) 3.021 2.461 ( -4.603 0.000 -5.123) 6.887 2.868 ( -3.964 0.000 3.685) 5.412 2.952 ( 3.540 0.000 10.259) 10.853 3.115 ( 2.556 0.000 6.035) 6.554 3.306 ( -0.509 0.000 2.566) 2.616 3.469 ( -5.734 0.000 -6.239) 8.474 3.537 ( 5.957 0.000 22.387) 23.166 3.703 ( -2.614 0.000 1.181) 2.868 3.808 ( 5.134 0.000 -4.850) 7.063 3.887 ( -0.255 0.000 -7.273) 7.277 4.007 ( 0.274 0.000 2.352) 2.368 4.366 ( -1.300 0.000 -8.708) 8.804 4.486 ( -3.800 0.000 -14.426) 14.918 4.563 ( -5.153 0.000 -11.689) 12.774 4.843 ( 5.759 0.000 7.998) 9.856 5.222 ( 3.466 0.000 9.198) 9.829 5.621 ( 8.212 0.000 -1.486) 8.345 5.646 ( -3.772 0.000 0.559) 3.814 5.735 ( 1.331 0.000 3.097) 3.371 5.827 ( 4.846 0.000 -0.610) 4.884 6.643 ( 4.812 0.000 5.541) 7.339 6.715 ( 2.514 0.000 4.149) 4.851 7.273 ( -5.753 0.000 -12.490) 13.751 7.366 ( -9.987 0.000 -9.267) 13.624 7.799 ( -1.391 0.000 -2.053) 2.479 8.322 ( 0.449 0.000 -6.960) 6.975 8.703 ( 4.087 0.000 0.350) 4.102 8.855 ( 0.348 0.000 -0.178) 0.391 9.203 ( 3.870 0.000 -0.001) 3.870 9.331 ( 1.619 0.000 1.161) 1.992 9.617 ( 1.798 0.000 11.219) 11.362 9.723 ( 0.897 0.000 9.336) 9.379 11.253 ( -6.719 0.000 -3.062) 7.384 11.263 ( -0.507 0.000 0.642) 0.818 11.290 ( 0.220 0.000 -0.227) 0.316 11.332 ( -6.544 0.000 -3.932) 7.634 11.961 ( -0.422 0.000 -1.819) 1.867 12.045 ( 1.258 0.000 -0.156) 1.268 12.544 ( -1.810 0.000 -8.842) 9.025 12.557 ( 2.005 0.000 -11.175) 11.353 13.808 ( -0.411 0.000 0.907) 0.996 13.887 ( 2.439 0.000 -0.564) 2.503 14.003 ( -5.898 0.000 0.015) 5.898 14.148 ( -7.884 0.000 -1.005) 7.947 14.292 ( 0.566 0.000 0.345) 0.663 14.353 ( 0.237 0.000 -0.102) 0.258 15.057 ( 11.110 0.000 -7.389) 13.343 15.141 ( 8.823 0.000 -9.781) 13.172 16.611 ( -0.319 0.000 0.396) 0.508 16.685 ( -2.833 0.000 -0.323) 2.852 16.966 ( -3.646 0.000 12.752) 13.263 17.178 ( -7.697 0.000 8.139) 11.202 17.934 ( 0.575 0.000 -1.961) 2.044 18.048 ( 2.228 0.000 -2.614) 3.435 18.507 ( 2.803 0.000 2.295) 3.623 18.549 ( -3.329 0.000 2.020) 3.894 19.825 ( -2.644 0.000 1.209) 2.907 20.056 ( -0.965 0.000 -2.868) 3.026 20.255 ( -0.564 0.000 -0.512) 0.762 20.271 ( -2.015 0.000 -0.068) 2.016 20.737 ( -2.132 0.000 0.969) 2.342 20.746 ( 1.600 0.000 1.058) 1.918 21.229 ( 0.264 0.000 -0.138) 0.298 21.324 ( -0.232 0.000 -0.130) 0.266 21.461 ( -1.259 0.000 2.556) 2.849 21.635 ( 0.312 0.000 0.939) 0.990 22.001 ( 0.940 0.000 -1.948) 2.163 22.129 ( -0.292 0.000 0.279) 0.404 22.569 ( -0.149 0.000 0.011) 0.149 22.955 ( 0.455 0.000 -3.841) 3.867 26.358 ( 0.275 0.000 4.213) 4.222 26.693 ( 14.169 0.000 -2.673) 14.419 26.985 ( -0.143 0.000 -0.469) 0.490 27.045 ( -0.454 0.000 0.485) 0.664 27.818 ( 0.140 0.000 -0.639) 0.654 27.887 ( 0.924 0.000 1.820) 2.041 27.892 ( -12.043 0.000 -1.924) 12.196 27.939 ( 0.034 0.000 1.975) 1.975 28.622 ( -0.564 0.000 0.800) 0.979 28.656 ( -0.167 0.000 0.239) 0.291 29.165 ( 0.473 0.000 0.219) 0.521 29.475 ( -0.998 0.000 -2.309) 2.515 30.249 ( -0.445 0.000 0.640) 0.779 31.164 ( -0.239 0.000 -8.171) 8.175 31.582 ( 2.828 0.000 2.956) 4.091 32.113 ( 0.433 0.000 -1.630) 1.686 32.336 ( -2.036 0.000 5.688) 6.041 32.839 ( -6.662 0.000 0.883) 6.720 35.330 ( -1.100 0.000 -0.032) 1.101 35.481 ( -0.499 0.000 1.027) 1.141 35.816 ( -1.731 0.000 -1.619) 2.370 35.934 ( 16.611 0.000 -1.157) 16.652 37.448 ( -0.602 0.000 0.218) 0.640 38.426 ( 3.339 0.000 -22.096) 22.347 41.252 ( -1.673 0.000 -10.721) 10.851 41.377 ( -0.552 0.000 -3.979) 4.017 41.563 ( 4.150 0.000 -0.507) 4.181 42.467 ( 2.780 0.000 13.144) 13.435 42.883 ( 9.180 0.000 16.616) 18.983 44.094 ( 11.840 0.000 -0.084) 11.841 ======================= Grid point 76 (40/100) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 12.342 0.000 13.493) 18.286 1.240 ( 25.595 0.000 13.636) 29.001 1.657 ( 6.186 0.000 5.344) 8.175 1.798 ( 4.110 0.000 -4.396) 6.018 2.044 ( 4.553 0.000 3.468) 5.723 2.296 ( 19.106 0.000 0.699) 19.119 2.348 ( 1.575 0.000 -5.067) 5.306 2.356 ( 4.869 0.000 18.717) 19.339 2.471 ( 8.259 0.000 -2.563) 8.648 2.872 ( 2.702 0.000 5.068) 5.743 3.074 ( 3.781 0.000 10.405) 11.071 3.246 ( 6.210 0.000 12.708) 14.144 3.463 ( 13.352 0.000 -0.471) 13.360 3.470 ( 6.804 0.000 -1.498) 6.967 3.714 ( 4.759 0.000 9.923) 11.005 3.721 ( 2.682 0.000 -3.237) 4.204 3.879 ( 2.963 0.000 -5.617) 6.351 3.956 ( 12.199 0.000 -2.693) 12.493 4.002 ( -3.174 0.000 -6.173) 6.941 4.355 ( 3.228 0.000 -11.086) 11.547 4.360 ( 5.838 0.000 -4.838) 7.582 4.559 ( 6.885 0.000 -5.429) 8.768 5.047 ( 9.432 0.000 7.306) 11.931 5.364 ( 7.557 0.000 9.995) 12.530 5.761 ( 6.593 0.000 0.716) 6.631 5.804 ( 20.117 0.000 1.818) 20.199 5.859 ( 12.747 0.000 2.269) 12.948 6.099 ( 23.096 0.000 -2.259) 23.206 6.730 ( 0.819 0.000 6.881) 6.930 6.776 ( 1.235 0.000 4.877) 5.031 7.101 ( -5.259 0.000 -10.746) 11.964 7.114 ( -8.617 0.000 -5.526) 10.236 7.698 ( -7.334 0.000 -2.153) 7.643 8.116 ( -16.359 0.000 -7.679) 18.071 8.728 ( -1.214 0.000 -1.322) 1.795 8.905 ( 3.828 0.000 0.341) 3.843 9.278 ( 3.454 0.000 0.696) 3.523 9.451 ( 9.430 0.000 -2.105) 9.662 9.750 ( 8.227 0.000 9.628) 12.664 9.837 ( 6.323 0.000 7.702) 9.965 11.047 ( -12.732 0.000 -2.869) 13.051 11.121 ( -13.149 0.000 -5.926) 14.422 11.248 ( -0.439 0.000 0.130) 0.457 11.300 ( 0.223 0.000 -0.022) 0.224 11.998 ( 4.803 0.000 -1.243) 4.961 12.116 ( 5.399 0.000 -0.051) 5.399 12.499 ( 0.984 0.000 -8.337) 8.395 12.583 ( 5.479 0.000 -13.123) 14.221 13.747 ( -6.007 0.000 0.545) 6.031 13.854 ( -5.371 0.000 -0.017) 5.371 13.954 ( -0.373 0.000 1.159) 1.218 14.042 ( -1.754 0.000 -0.292) 1.778 14.317 ( 1.665 0.000 0.147) 1.672 14.353 ( -0.151 0.000 -0.740) 0.755 15.235 ( 10.132 0.000 -6.482) 12.028 15.265 ( 10.209 0.000 -9.663) 14.057 16.518 ( -9.846 0.000 1.423) 9.948 16.557 ( -10.374 0.000 -1.012) 10.424 16.940 ( -5.854 0.000 13.189) 14.430 17.050 ( -8.996 0.000 11.082) 14.274 17.909 ( -0.831 0.000 -1.241) 1.494 18.083 ( 2.191 0.000 -2.630) 3.423 18.504 ( -2.169 0.000 0.123) 2.172 18.566 ( 1.459 0.000 1.767) 2.291 19.923 ( 11.212 0.000 1.622) 11.329 20.120 ( 7.802 0.000 -2.580) 8.217 20.242 ( 0.045 0.000 -0.525) 0.527 20.262 ( -0.345 0.000 0.091) 0.357 20.676 ( -4.088 0.000 1.786) 4.461 20.755 ( -2.014 0.000 0.893) 2.203 21.149 ( -8.312 0.000 -0.259) 8.316 21.256 ( -6.465 0.000 -0.079) 6.465 21.473 ( 0.840 0.000 2.031) 2.198 21.679 ( 3.245 0.000 1.048) 3.410 22.009 ( 0.592 0.000 -1.818) 1.911 22.118 ( -0.760 0.000 0.432) 0.874 22.601 ( 3.685 0.000 0.046) 3.685 22.953 ( 1.567 0.000 -3.628) 3.952 26.258 ( -9.646 0.000 3.056) 10.118 26.663 ( -10.340 0.000 -3.726) 10.991 26.931 ( -5.847 0.000 -0.323) 5.856 27.003 ( -4.977 0.000 0.673) 5.022 27.823 ( -2.027 0.000 0.885) 2.212 27.922 ( 1.849 0.000 1.165) 2.186 27.938 ( 1.471 0.000 -3.782) 4.058 27.972 ( 2.326 0.000 1.731) 2.899 28.787 ( 20.844 0.000 -0.490) 20.850 28.922 ( 30.848 0.000 -5.873) 31.402 29.054 ( -11.351 0.000 0.365) 11.357 29.295 ( -15.624 0.000 -2.185) 15.776 30.288 ( 4.316 0.000 0.620) 4.360 31.122 ( 0.435 0.000 -6.994) 7.008 31.618 ( -0.460 0.000 2.468) 2.511 32.131 ( 1.610 0.000 -1.137) 1.970 32.289 ( -5.340 0.000 5.393) 7.589 32.639 ( -13.367 0.000 7.115) 15.143 35.418 ( 10.026 0.000 0.722) 10.052 35.607 ( 11.758 0.000 1.293) 11.829 35.901 ( 11.637 0.000 -1.748) 11.768 36.380 ( 28.797 0.000 -14.012) 32.025 37.481 ( 4.041 0.000 0.050) 4.041 38.404 ( 5.020 0.000 -20.364) 20.973 41.165 ( -2.518 0.000 -8.460) 8.827 41.333 ( -2.491 0.000 -2.419) 3.472 41.612 ( 1.362 0.000 -1.286) 1.873 42.490 ( -6.139 0.000 10.372) 12.053 43.005 ( -3.077 0.000 11.499) 11.904 44.009 ( -17.472 0.000 0.065) 17.472 ======================= Grid point 77 (41/100) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 15.976 0.000 7.117) 17.490 1.669 ( 14.830 0.000 8.314) 17.002 1.834 ( 9.459 0.000 5.520) 10.952 1.851 ( 4.449 0.000 -1.132) 4.591 2.172 ( 8.645 0.000 2.289) 8.943 2.392 ( 5.299 0.000 -3.082) 6.130 2.439 ( -0.260 0.000 4.448) 4.455 2.580 ( 3.178 0.000 -0.456) 3.211 2.646 ( 14.558 0.000 -1.237) 14.611 3.021 ( 9.173 0.000 9.162) 12.965 3.198 ( 4.361 0.000 8.028) 9.136 3.331 ( -4.479 0.000 11.533) 12.373 3.559 ( 0.129 0.000 -4.998) 4.999 3.682 ( 9.107 0.000 -1.520) 9.233 3.716 ( -0.115 0.000 -11.457) 11.457 3.760 ( -4.691 0.000 3.729) 5.993 3.875 ( -0.321 0.000 -3.916) 3.929 3.991 ( 7.585 0.000 3.289) 8.267 4.210 ( 12.319 0.000 0.378) 12.325 4.526 ( 16.138 0.000 -5.156) 16.942 4.567 ( 13.610 0.000 -1.275) 13.669 4.728 ( 12.265 0.000 -2.613) 12.540 5.218 ( 6.596 0.000 2.273) 6.976 5.515 ( 3.328 0.000 0.298) 3.341 6.022 ( 20.265 0.000 4.617) 20.785 6.197 ( 17.835 0.000 0.129) 17.835 6.325 ( 26.671 0.000 4.073) 26.980 6.606 ( 28.285 0.000 -4.375) 28.622 6.746 ( 1.728 0.000 3.371) 3.788 6.755 ( -2.914 0.000 -0.682) 2.993 7.069 ( 3.902 0.000 -1.555) 4.200 7.115 ( 14.640 0.000 -1.671) 14.735 7.563 ( -3.049 0.000 -2.429) 3.898 7.731 ( -17.512 0.000 -4.612) 18.109 8.681 ( -2.226 0.000 -2.846) 3.613 8.941 ( -1.008 0.000 0.327) 1.060 9.381 ( 7.971 0.000 1.034) 8.038 9.621 ( 10.019 0.000 -2.738) 10.387 10.023 ( 10.499 0.000 5.595) 11.897 10.053 ( 19.993 0.000 6.519) 21.029 10.782 ( -13.571 0.000 -0.194) 13.573 10.824 ( -14.549 0.000 -2.323) 14.734 11.265 ( 2.531 0.000 -0.433) 2.567 11.296 ( -0.200 0.000 -0.141) 0.245 12.113 ( 7.271 0.000 -0.395) 7.282 12.222 ( 5.478 0.000 -0.358) 5.490 12.493 ( 2.512 0.000 -7.824) 8.217 12.616 ( 4.640 0.000 -12.088) 12.948 13.605 ( -8.836 0.000 0.027) 8.836 13.711 ( -9.047 0.000 0.190) 9.049 13.970 ( 2.287 0.000 1.007) 2.499 14.100 ( 6.116 0.000 -0.836) 6.173 14.340 ( -0.094 0.000 -0.727) 0.733 14.355 ( 2.078 0.000 -0.772) 2.217 15.373 ( 9.001 0.000 -8.244) 12.206 15.437 ( 11.211 0.000 -6.067) 12.748 16.270 ( -16.654 0.000 1.959) 16.768 16.292 ( -16.414 0.000 -1.135) 16.454 16.866 ( -7.576 0.000 11.842) 14.058 16.966 ( -6.480 0.000 12.999) 14.525 17.929 ( 3.088 0.000 -0.236) 3.097 18.094 ( -0.015 0.000 -2.527) 2.527 18.449 ( -3.700 0.000 -0.794) 3.784 18.562 ( -2.412 0.000 -0.649) 2.498 20.171 ( 10.165 0.000 1.542) 10.281 20.229 ( -1.913 0.000 -0.469) 1.970 20.231 ( 1.965 0.000 -1.285) 2.347 20.246 ( -1.517 0.000 -0.833) 1.730 20.599 ( -5.080 0.000 2.204) 5.538 20.691 ( -4.863 0.000 1.022) 4.970 20.951 ( -10.576 0.000 0.035) 10.576 21.131 ( -4.094 0.000 -0.364) 4.110 21.489 ( -0.509 0.000 1.954) 2.019 21.748 ( 3.137 0.000 0.999) 3.293 22.000 ( -0.780 0.000 -1.257) 1.479 22.105 ( -1.104 0.000 0.209) 1.124 22.724 ( 9.858 0.000 0.185) 9.859 23.004 ( 6.353 0.000 -3.294) 7.157 26.107 ( -6.567 0.000 1.885) 6.833 26.412 ( -13.157 0.000 -2.598) 13.411 26.739 ( -14.946 0.000 0.019) 14.946 26.826 ( -14.912 0.000 0.645) 14.926 27.713 ( -9.481 0.000 1.262) 9.564 27.796 ( -11.863 0.000 0.694) 11.884 27.962 ( 1.849 0.000 0.364) 1.884 28.029 ( 2.464 0.000 1.198) 2.740 28.794 ( -15.005 0.000 -0.053) 15.005 28.947 ( -18.528 0.000 -0.811) 18.546 29.348 ( 35.603 0.000 -2.613) 35.698 29.592 ( 39.747 0.000 -11.528) 41.385 30.417 ( 9.138 0.000 0.589) 9.157 31.144 ( 5.409 0.000 -5.302) 7.574 31.589 ( -3.505 0.000 1.522) 3.821 32.149 ( -0.109 0.000 1.432) 1.436 32.204 ( -5.686 0.000 4.637) 7.337 32.434 ( -10.882 0.000 3.422) 11.407 35.659 ( 13.313 0.000 1.030) 13.353 35.874 ( 13.875 0.000 2.970) 14.189 36.214 ( 21.272 0.000 -1.005) 21.296 36.832 ( 26.865 0.000 -15.462) 30.996 37.611 ( 10.040 0.000 0.219) 10.043 38.428 ( 7.336 0.000 -18.173) 19.598 41.082 ( -2.598 0.000 -6.193) 6.715 41.265 ( -3.732 0.000 -1.251) 3.936 41.609 ( -0.618 0.000 -1.533) 1.653 42.347 ( -12.870 0.000 7.290) 14.791 42.902 ( -11.643 0.000 7.807) 14.018 43.567 ( -27.993 0.000 3.762) 28.245 ======================= Grid point 78 (42/100) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 12.653 0.000 1.094) 12.701 1.919 ( 9.807 0.000 -0.850) 9.843 1.986 ( 9.395 0.000 5.819) 11.051 1.999 ( 5.094 0.000 3.263) 6.050 2.379 ( 8.692 0.000 2.658) 9.089 2.429 ( -1.404 0.000 1.648) 2.165 2.491 ( 1.556 0.000 3.832) 4.136 2.673 ( 12.280 0.000 0.975) 12.319 2.834 ( 7.788 0.000 -3.943) 8.729 3.212 ( -4.269 0.000 8.600) 9.601 3.279 ( 5.841 0.000 5.183) 7.809 3.286 ( 2.158 0.000 2.114) 3.020 3.504 ( -1.105 0.000 -6.360) 6.456 3.561 ( -6.069 0.000 -11.629) 13.117 3.600 ( -11.914 0.000 -0.191) 11.916 3.796 ( 4.090 0.000 -2.079) 4.588 3.989 ( 7.319 0.000 3.736) 8.218 4.155 ( 6.538 0.000 6.905) 9.509 4.344 ( 1.571 0.000 -1.084) 1.909 4.696 ( -0.796 0.000 2.458) 2.583 4.863 ( 21.288 0.000 -4.632) 21.786 4.987 ( 15.850 0.000 0.481) 15.857 5.308 ( 2.694 0.000 -2.950) 3.995 5.513 ( -1.850 0.000 -3.264) 3.752 6.254 ( -2.631 0.000 -0.600) 2.699 6.419 ( 8.138 0.000 -1.252) 8.234 6.555 ( -7.974 0.000 -7.879) 11.210 6.641 ( 7.318 0.000 5.078) 8.907 6.853 ( 2.266 0.000 -0.608) 2.346 7.018 ( -11.142 0.000 -1.847) 11.294 7.234 ( 28.277 0.000 2.064) 28.352 7.598 ( 30.740 0.000 1.834) 30.795 7.648 ( 15.906 0.000 1.078) 15.942 7.739 ( 19.777 0.000 -3.717) 20.123 8.621 ( -2.975 0.000 -2.559) 3.924 8.862 ( -7.296 0.000 -0.361) 7.305 9.618 ( 17.283 0.000 -0.798) 17.301 9.821 ( 13.367 0.000 -3.381) 13.788 10.291 ( 15.561 0.000 3.592) 15.971 10.545 ( 27.992 0.000 1.269) 28.021 10.589 ( -6.672 0.000 6.480) 9.300 10.618 ( -7.213 0.000 7.395) 10.330 11.312 ( 4.446 0.000 -0.596) 4.486 11.369 ( 8.941 0.000 -0.551) 8.958 12.235 ( 4.169 0.000 0.453) 4.193 12.310 ( 4.226 0.000 -0.231) 4.232 12.546 ( 8.415 0.000 -7.938) 11.568 12.679 ( 8.597 0.000 -10.138) 13.293 13.429 ( -9.266 0.000 -0.423) 9.276 13.538 ( -8.926 0.000 -0.317) 8.932 14.046 ( 4.875 0.000 -0.729) 4.929 14.202 ( 4.506 0.000 -1.778) 4.844 14.346 ( 1.771 0.000 -1.145) 2.108 14.405 ( 3.587 0.000 -0.395) 3.609 15.504 ( 8.657 0.000 -6.169) 10.630 15.624 ( 10.724 0.000 -3.102) 11.164 15.939 ( -17.717 0.000 -0.404) 17.722 15.971 ( -16.777 0.000 1.599) 16.853 16.793 ( -5.439 0.000 10.862) 12.148 16.910 ( -5.938 0.000 12.565) 13.898 17.982 ( 1.039 0.000 -0.114) 1.045 18.040 ( -5.356 0.000 -1.876) 5.675 18.355 ( -5.795 0.000 -1.611) 6.015 18.467 ( -6.537 0.000 -3.160) 7.260 20.091 ( -13.461 0.000 -1.035) 13.501 20.135 ( -8.725 0.000 -0.207) 8.727 20.176 ( -12.748 0.000 1.158) 12.801 20.183 ( -4.766 0.000 -1.123) 4.896 20.525 ( -3.216 0.000 1.496) 3.547 20.584 ( -7.081 0.000 1.161) 7.176 20.878 ( 3.621 0.000 1.416) 3.889 21.156 ( 5.799 0.000 -0.485) 5.819 21.471 ( -2.187 0.000 1.996) 2.961 21.798 ( 1.632 0.000 0.665) 1.762 21.973 ( -1.284 0.000 -0.811) 1.519 22.067 ( -3.057 0.000 0.262) 3.068 22.991 ( 18.541 0.000 0.336) 18.544 23.187 ( 15.088 0.000 -2.699) 15.328 26.042 ( -1.034 0.000 0.821) 1.320 26.187 ( -8.596 0.000 -2.421) 8.930 26.367 ( -24.151 0.000 0.220) 24.152 26.451 ( -24.368 0.000 0.384) 24.371 27.518 ( -10.914 0.000 0.644) 10.933 27.562 ( -13.103 0.000 1.748) 13.219 27.987 ( 0.584 0.000 0.139) 0.601 28.064 ( 0.631 0.000 0.851) 1.059 28.522 ( -13.086 0.000 -0.782) 13.110 28.631 ( -14.948 0.000 0.778) 14.968 29.996 ( 31.954 0.000 -1.309) 31.980 30.216 ( 30.346 0.000 -8.213) 31.438 30.636 ( 13.438 0.000 0.611) 13.452 31.275 ( 10.422 0.000 -4.087) 11.195 31.514 ( -4.424 0.000 0.409) 4.443 32.073 ( -10.823 0.000 6.131) 12.439 32.157 ( -1.447 0.000 3.726) 3.997 32.314 ( 0.831 0.000 -6.192) 6.248 35.879 ( 8.942 0.000 0.473) 8.955 36.109 ( 8.586 0.000 4.142) 9.533 36.649 ( 23.827 0.000 0.474) 23.832 37.257 ( 24.914 0.000 -10.829) 27.166 37.861 ( 15.555 0.000 1.314) 15.610 38.516 ( 10.342 0.000 -15.255) 18.430 41.015 ( -1.798 0.000 -3.910) 4.303 41.186 ( -4.031 0.000 -0.484) 4.060 41.584 ( -0.955 0.000 -1.965) 2.185 42.100 ( -15.573 0.000 4.386) 16.179 42.673 ( -15.058 0.000 4.449) 15.701 43.047 ( -27.991 0.000 3.195) 28.172 ======================= Grid point 79 (43/100) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 11.092 0.000 -1.966) 11.265 2.061 ( 6.351 0.000 -1.400) 6.503 2.083 ( 2.845 0.000 4.033) 4.936 2.208 ( 9.629 0.000 4.701) 10.715 2.426 ( -3.422 0.000 0.720) 3.497 2.428 ( 1.597 0.000 -0.022) 1.597 2.515 ( 0.308 0.000 3.628) 3.641 2.901 ( -0.424 0.000 -3.715) 3.740 2.997 ( 14.501 0.000 3.688) 14.962 3.125 ( -2.499 0.000 5.743) 6.263 3.313 ( 2.709 0.000 -2.883) 3.956 3.349 ( -12.174 0.000 -4.493) 12.976 3.442 ( 0.629 0.000 -6.232) 6.263 3.459 ( 7.102 0.000 1.556) 7.270 3.510 ( 2.576 0.000 -1.261) 2.868 3.813 ( -0.803 0.000 -3.834) 3.917 4.127 ( 4.545 0.000 6.276) 7.749 4.280 ( 2.802 0.000 6.987) 7.528 4.289 ( -5.052 0.000 -1.536) 5.281 4.585 ( -10.637 0.000 -0.828) 10.669 5.246 ( 20.056 0.000 -1.097) 20.086 5.298 ( -0.917 0.000 -6.740) 6.802 5.322 ( 18.295 0.000 1.386) 18.348 5.440 ( -2.931 0.000 -5.455) 6.193 6.117 ( -9.201 0.000 -1.391) 9.306 6.380 ( -5.761 0.000 -8.802) 10.520 6.401 ( -6.005 0.000 -5.258) 7.982 6.657 ( -12.901 0.000 -9.650) 16.111 6.770 ( 4.974 0.000 6.205) 7.953 6.975 ( 1.643 0.000 7.663) 7.837 7.651 ( 15.099 0.000 2.919) 15.379 7.958 ( 10.977 0.000 3.691) 11.581 8.099 ( 19.224 0.000 2.721) 19.416 8.101 ( 16.085 0.000 -6.939) 17.518 8.525 ( -6.921 0.000 -1.640) 7.112 8.678 ( -10.852 0.000 -1.319) 10.931 9.954 ( 16.135 0.000 -2.366) 16.308 10.095 ( 15.722 0.000 -2.916) 15.990 10.568 ( 9.308 0.000 2.384) 9.608 10.648 ( 8.075 0.000 13.011) 15.313 10.660 ( 6.405 0.000 15.182) 16.477 10.981 ( 16.125 0.000 -3.594) 16.521 11.526 ( 20.248 0.000 -3.583) 20.563 11.663 ( 22.194 0.000 1.522) 22.246 12.266 ( 0.215 0.000 0.308) 0.376 12.381 ( 2.951 0.000 1.111) 3.154 12.767 ( 18.371 0.000 -7.584) 19.875 12.858 ( 14.903 0.000 -8.767) 17.291 13.270 ( -6.865 0.000 -0.509) 6.884 13.378 ( -7.624 0.000 -1.342) 7.741 14.120 ( 3.593 0.000 -3.094) 4.741 14.241 ( 0.968 0.000 -3.078) 3.227 14.406 ( 4.954 0.000 -0.431) 4.973 14.494 ( 6.103 0.000 -0.255) 6.109 15.643 ( 7.731 0.000 -0.827) 7.775 15.648 ( -11.562 0.000 -1.032) 11.608 15.709 ( -11.096 0.000 2.143) 11.301 15.793 ( 7.068 0.000 1.111) 7.155 16.771 ( -2.103 0.000 9.714) 9.939 16.871 ( -3.715 0.000 11.148) 11.751 17.844 ( -14.797 0.000 -1.247) 14.850 17.911 ( -9.866 0.000 -0.015) 9.866 18.215 ( -7.893 0.000 -2.629) 8.319 18.299 ( -8.598 0.000 -5.535) 10.226 19.810 ( -13.598 0.000 -0.709) 13.617 19.870 ( -15.905 0.000 0.577) 15.916 19.915 ( -13.297 0.000 -0.374) 13.303 20.037 ( -10.721 0.000 -0.836) 10.754 20.452 ( -6.342 0.000 0.319) 6.350 20.488 ( -1.642 0.000 0.528) 1.725 20.986 ( 4.777 0.000 1.613) 5.042 21.272 ( 5.363 0.000 -0.084) 5.364 21.437 ( -2.083 0.000 1.608) 2.631 21.812 ( -0.339 0.000 0.145) 0.369 21.951 ( -0.663 0.000 -0.414) 0.782 22.006 ( -3.036 0.000 0.246) 3.046 23.414 ( 25.663 0.000 -0.113) 25.663 23.551 ( 24.026 0.000 -1.245) 24.059 25.860 ( -28.866 0.000 0.187) 28.866 25.945 ( -28.716 0.000 0.341) 28.718 26.061 ( 1.964 0.000 -0.662) 2.072 26.080 ( -1.577 0.000 -1.481) 2.163 27.315 ( -10.845 0.000 -0.253) 10.847 27.339 ( -10.427 0.000 0.675) 10.449 27.988 ( -0.429 0.000 0.154) 0.455 28.062 ( -1.126 0.000 0.794) 1.378 28.307 ( -9.241 0.000 -0.708) 9.268 28.386 ( -11.444 0.000 1.020) 11.489 30.483 ( 19.410 0.000 0.142) 19.411 30.638 ( 17.082 0.000 -2.976) 17.339 30.903 ( 13.628 0.000 0.695) 13.645 31.444 ( -2.746 0.000 -0.286) 2.761 31.471 ( 11.377 0.000 -3.261) 11.835 31.864 ( -11.815 0.000 2.075) 11.995 32.185 ( 3.425 0.000 1.184) 3.624 32.374 ( 6.688 0.000 -4.566) 8.098 35.996 ( 3.687 0.000 -0.174) 3.691 36.233 ( 2.899 0.000 3.817) 4.793 37.072 ( 19.554 0.000 1.523) 19.613 37.662 ( 21.569 0.000 -4.744) 22.085 38.170 ( 15.013 0.000 2.167) 15.168 38.668 ( 12.154 0.000 -11.406) 16.668 40.984 ( 0.145 0.000 -1.675) 1.681 41.115 ( -3.128 0.000 0.084) 3.129 41.561 ( -0.377 0.000 -2.330) 2.360 41.826 ( -14.553 0.000 1.966) 14.685 42.395 ( -15.711 0.000 1.745) 15.807 42.574 ( -22.389 0.000 0.519) 22.395 ======================= Grid point 80 (44/100) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 3.294 0.000 0.835) 3.399 2.145 ( 3.289 0.000 -1.119) 3.474 2.175 ( 5.700 0.000 -0.197) 5.704 2.324 ( 0.373 0.000 3.091) 3.113 2.346 ( -4.466 0.000 -0.696) 4.520 2.485 ( -4.387 0.000 1.730) 4.715 2.515 ( 6.656 0.000 -0.990) 6.729 2.795 ( -7.555 0.000 -1.090) 7.633 3.110 ( 1.192 0.000 -4.349) 4.510 3.127 ( -7.796 0.000 -5.866) 9.757 3.179 ( 4.003 0.000 1.276) 4.201 3.450 ( 6.202 0.000 -0.457) 6.219 3.506 ( 8.281 0.000 4.988) 9.667 3.526 ( 0.634 0.000 -6.790) 6.820 3.615 ( 7.895 0.000 4.395) 9.036 3.762 ( -1.019 0.000 -4.975) 5.079 4.196 ( -4.003 0.000 0.270) 4.012 4.215 ( 1.496 0.000 6.443) 6.614 4.317 ( -1.842 0.000 4.659) 5.010 4.330 ( -13.363 0.000 -3.467) 13.805 5.220 ( -2.837 0.000 -9.368) 9.788 5.376 ( -0.843 0.000 -5.776) 5.838 5.582 ( 13.959 0.000 3.281) 14.339 5.631 ( 12.424 0.000 0.939) 12.460 5.937 ( -7.651 0.000 -3.309) 8.336 6.234 ( -6.949 0.000 -8.449) 10.939 6.279 ( 0.142 0.000 -8.957) 8.958 6.410 ( -8.401 0.000 -8.699) 12.094 6.908 ( 6.248 0.000 7.031) 9.406 7.048 ( 1.743 0.000 7.812) 8.004 7.854 ( 5.222 0.000 4.118) 6.651 8.091 ( 2.456 0.000 3.718) 4.456 8.252 ( 4.603 0.000 -5.034) 6.822 8.314 ( -12.170 0.000 -0.530) 12.181 8.353 ( 5.398 0.000 -0.631) 5.435 8.513 ( -4.073 0.000 -0.833) 4.157 10.177 ( 8.088 0.000 3.400) 8.773 10.321 ( 8.210 0.000 3.908) 9.093 10.645 ( -0.442 0.000 1.475) 1.540 10.912 ( 9.965 0.000 10.724) 14.639 10.917 ( 10.782 0.000 9.824) 14.586 11.141 ( 4.695 0.000 -5.331) 7.104 11.945 ( 21.011 0.000 -4.326) 21.452 12.081 ( 18.007 0.000 0.573) 18.016 12.281 ( 1.068 0.000 2.401) 2.627 12.433 ( 1.770 0.000 2.054) 2.711 13.106 ( 17.116 0.000 -7.131) 18.542 13.129 ( 18.045 0.000 -8.774) 20.065 13.176 ( -2.827 0.000 -0.574) 2.885 13.239 ( -6.124 0.000 -2.239) 6.520 14.158 ( 3.103 0.000 -5.206) 6.061 14.223 ( -0.284 0.000 -4.453) 4.462 14.508 ( 4.896 0.000 0.546) 4.927 14.612 ( 4.985 0.000 0.270) 4.992 15.532 ( 0.043 0.000 -0.895) 0.896 15.603 ( -0.783 0.000 1.207) 1.439 15.771 ( 3.770 0.000 6.133) 7.199 15.882 ( 0.366 0.000 6.960) 6.970 16.791 ( -1.237 0.000 8.527) 8.616 16.881 ( -0.705 0.000 9.162) 9.189 17.507 ( -18.072 0.000 -0.076) 18.072 17.630 ( -17.055 0.000 -0.295) 17.058 18.061 ( -4.824 0.000 -4.928) 6.897 18.125 ( -5.620 0.000 -6.883) 8.886 19.617 ( -6.384 0.000 -0.613) 6.413 19.662 ( -6.067 0.000 0.421) 6.081 19.677 ( -10.468 0.000 -1.021) 10.517 19.794 ( -12.776 0.000 -1.581) 12.874 20.368 ( -2.663 0.000 -0.173) 2.668 20.462 ( -1.193 0.000 -0.123) 1.200 21.052 ( 1.663 0.000 1.372) 2.156 21.341 ( 1.998 0.000 -0.054) 1.999 21.412 ( -1.260 0.000 1.029) 1.627 21.795 ( -1.083 0.000 0.048) 1.084 21.944 ( -0.132 0.000 -0.109) 0.171 21.964 ( -1.431 0.000 -0.179) 1.442 23.927 ( 28.003 0.000 -0.755) 28.013 24.041 ( 26.446 0.000 0.304) 26.448 25.313 ( -28.208 0.000 -0.063) 28.208 25.403 ( -27.899 0.000 0.546) 27.905 26.060 ( 0.709 0.000 -2.138) 2.252 26.114 ( 2.121 0.000 -0.481) 2.175 27.133 ( -7.372 0.000 -0.977) 7.436 27.178 ( -6.674 0.000 -0.438) 6.688 27.980 ( -0.421 0.000 0.369) 0.560 28.033 ( -2.177 0.000 0.930) 2.367 28.174 ( -4.375 0.000 -0.325) 4.387 28.220 ( -6.194 0.000 0.398) 6.207 30.732 ( 7.392 0.000 0.587) 7.415 30.847 ( 6.865 0.000 0.100) 6.865 31.121 ( 8.372 0.000 0.733) 8.404 31.404 ( -1.699 0.000 -0.236) 1.715 31.643 ( 7.715 0.000 -2.697) 8.173 31.682 ( -7.312 0.000 -1.064) 7.389 32.278 ( 5.121 0.000 0.032) 5.121 32.492 ( 6.987 0.000 -2.485) 7.416 36.031 ( 0.596 0.000 -0.603) 0.848 36.272 ( -0.099 0.000 3.121) 3.123 37.373 ( 11.046 0.000 1.875) 11.204 38.008 ( 15.775 0.000 0.175) 15.776 38.403 ( 8.120 0.000 1.296) 8.223 38.850 ( 11.167 0.000 -7.125) 13.247 41.011 ( 3.158 0.000 0.417) 3.185 41.077 ( -0.924 0.000 0.640) 1.124 41.550 ( 0.484 0.000 -2.310) 2.360 41.588 ( -10.883 0.000 0.205) 10.885 42.105 ( -14.827 0.000 -0.476) 14.834 42.229 ( -14.028 0.000 -2.096) 14.184 ======================= Grid point 81 (45/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.671 0.000 1.017) 1.219 2.162 ( -1.873 0.000 -3.752) 4.193 2.228 ( -0.518 0.000 -0.333) 0.616 2.244 ( -5.082 0.000 -4.933) 7.083 2.295 ( -3.304 0.000 3.203) 4.602 2.426 ( -0.658 0.000 -0.138) 0.672 2.588 ( 0.423 0.000 -0.275) 0.504 2.649 ( -6.355 0.000 -1.058) 6.443 3.008 ( -2.460 0.000 -6.059) 6.539 3.101 ( -1.185 0.000 -0.961) 1.526 3.247 ( 3.848 0.000 -3.844) 5.439 3.468 ( -0.816 0.000 -12.914) 12.940 3.499 ( 0.690 0.000 -1.236) 1.415 3.696 ( -3.665 0.000 -9.414) 10.102 3.713 ( 8.384 0.000 9.289) 12.513 3.821 ( 9.476 0.000 8.677) 12.849 4.087 ( -6.692 0.000 3.026) 7.345 4.189 ( -1.190 0.000 2.301) 2.591 4.244 ( -1.366 0.000 5.132) 5.311 4.263 ( -4.824 0.000 1.605) 5.084 5.133 ( -0.762 0.000 -10.090) 10.119 5.346 ( 0.581 0.000 -6.858) 6.883 5.756 ( 1.129 0.000 3.586) 3.759 5.779 ( 4.523 0.000 0.442) 4.545 5.838 ( -0.267 0.000 -3.411) 3.421 6.092 ( -3.067 0.000 -9.630) 10.107 6.271 ( -2.209 0.000 -6.222) 6.602 6.290 ( 2.972 0.000 -7.431) 8.004 7.043 ( 3.003 0.000 8.225) 8.756 7.103 ( 0.230 0.000 7.020) 7.023 7.915 ( 0.557 0.000 3.021) 3.072 8.080 ( -8.726 0.000 -1.151) 8.802 8.114 ( -1.527 0.000 3.597) 3.908 8.283 ( 1.403 0.000 -3.065) 3.370 8.382 ( 0.021 0.000 -0.894) 0.894 8.528 ( 2.836 0.000 -0.110) 2.838 10.303 ( 2.608 0.000 5.723) 6.289 10.445 ( 1.650 0.000 5.774) 6.005 10.614 ( -2.787 0.000 1.078) 2.988 11.057 ( 0.610 0.000 7.147) 7.173 11.071 ( 1.528 0.000 7.814) 7.962 11.141 ( -1.570 0.000 -6.081) 6.280 12.122 ( -0.955 0.000 -3.631) 3.755 12.296 ( 3.190 0.000 -0.593) 3.245 12.324 ( 1.327 0.000 4.626) 4.812 12.462 ( -0.128 0.000 2.815) 2.818 13.128 ( -3.181 0.000 -2.249) 3.896 13.158 ( 0.169 0.000 -1.025) 1.038 13.249 ( 2.126 0.000 -7.810) 8.094 13.351 ( 6.007 0.000 -8.949) 10.778 14.195 ( 2.816 0.000 -5.085) 5.812 14.237 ( 6.110 0.000 -6.786) 9.132 14.564 ( 0.200 0.000 0.641) 0.672 14.639 ( -2.407 0.000 1.046) 2.624 15.572 ( 1.318 0.000 -0.849) 1.568 15.634 ( 1.189 0.000 0.465) 1.277 15.812 ( -4.096 0.000 10.097) 10.897 15.877 ( -6.146 0.000 11.511) 13.049 16.776 ( -3.733 0.000 6.921) 7.864 16.901 ( -1.744 0.000 7.408) 7.611 17.304 ( 0.040 0.000 0.344) 0.346 17.434 ( 0.524 0.000 -0.186) 0.556 18.049 ( 5.881 0.000 -6.036) 8.427 18.077 ( 5.684 0.000 -6.828) 8.884 19.543 ( -2.606 0.000 -1.404) 2.960 19.553 ( -0.322 0.000 -0.497) 0.593 19.615 ( -3.324 0.000 -2.124) 3.945 19.625 ( 1.269 0.000 0.267) 1.297 20.342 ( -0.090 0.000 -0.281) 0.295 20.446 ( -0.283 0.000 -0.331) 0.436 21.073 ( 0.092 0.000 1.310) 1.313 21.353 ( -0.443 0.000 -0.163) 0.472 21.398 ( -0.695 0.000 0.774) 1.040 21.781 ( -0.509 0.000 0.220) 0.555 21.939 ( -0.269 0.000 -0.203) 0.337 21.950 ( -0.029 0.000 -0.380) 0.381 24.317 ( 1.217 0.000 -0.590) 1.353 24.388 ( 2.044 0.000 0.429) 2.089 24.923 ( -3.333 0.000 0.205) 3.339 25.056 ( 1.363 0.000 0.338) 1.404 26.051 ( -1.275 0.000 -2.250) 2.586 26.122 ( -1.030 0.000 -1.156) 1.548 27.049 ( -0.759 0.000 -0.873) 1.157 27.097 ( -1.226 0.000 -0.758) 1.441 27.980 ( 0.205 0.000 0.547) 0.585 28.005 ( -0.765 0.000 1.093) 1.334 28.142 ( 1.146 0.000 -0.148) 1.156 28.158 ( -0.655 0.000 -0.090) 0.661 30.797 ( 0.051 0.000 0.564) 0.566 30.938 ( 3.215 0.000 0.814) 3.316 31.204 ( -0.175 0.000 0.715) 0.736 31.367 ( -2.192 0.000 0.169) 2.199 31.580 ( -3.032 0.000 -2.117) 3.698 31.719 ( 1.387 0.000 -2.483) 2.844 32.339 ( 0.834 0.000 -0.398) 0.924 32.593 ( 4.275 0.000 -1.472) 4.521 36.023 ( -0.888 0.000 -0.721) 1.144 36.271 ( -1.268 0.000 2.746) 3.024 37.495 ( 0.853 0.000 1.964) 2.141 38.238 ( 7.722 0.000 1.850) 7.941 38.477 ( -0.643 0.000 0.379) 0.746 38.995 ( 6.650 0.000 -5.009) 8.325 41.092 ( 2.138 0.000 1.013) 2.365 41.110 ( 6.698 0.000 1.983) 6.985 41.429 ( -5.606 0.000 -0.552) 5.633 41.564 ( 2.259 0.000 -1.567) 2.749 41.863 ( -9.746 0.000 -2.749) 10.126 42.002 ( -9.149 0.000 -3.113) 9.664 ======================= Grid point 82 (46/100) ======================= q-point: (-0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -11.986 0.000 -6.009) 13.408 2.014 ( -10.482 0.000 -5.043) 11.632 2.153 ( -2.135 0.000 -0.114) 2.138 2.233 ( 0.131 0.000 2.223) 2.227 2.255 ( -4.419 0.000 3.217) 5.466 2.436 ( 1.437 0.000 -2.518) 2.899 2.540 ( -2.549 0.000 0.531) 2.604 2.578 ( -2.161 0.000 -0.570) 2.235 2.951 ( -0.982 0.000 -6.006) 6.086 3.025 ( -7.216 0.000 1.078) 7.296 3.294 ( 1.909 0.000 -6.458) 6.734 3.335 ( -2.600 0.000 -19.929) 20.097 3.457 ( -4.983 0.000 -0.583) 5.017 3.601 ( -2.166 0.000 -4.474) 4.970 3.894 ( 5.491 0.000 9.241) 10.749 4.019 ( 5.978 0.000 8.090) 10.059 4.054 ( -0.151 0.000 6.963) 6.964 4.175 ( -3.374 0.000 1.093) 3.547 4.212 ( 1.060 0.000 5.455) 5.557 4.228 ( -1.977 0.000 2.342) 3.065 5.113 ( 3.271 0.000 -8.874) 9.457 5.318 ( -0.414 0.000 -8.224) 8.235 5.710 ( -6.944 0.000 2.948) 7.544 5.778 ( -5.300 0.000 -0.647) 5.339 5.905 ( 7.170 0.000 -1.230) 7.274 6.051 ( 4.690 0.000 -9.192) 10.320 6.252 ( -2.866 0.000 -6.893) 7.465 6.287 ( 6.999 0.000 -3.717) 7.925 7.083 ( -1.345 0.000 6.331) 6.472 7.118 ( -1.877 0.000 5.517) 5.827 7.901 ( -5.182 0.000 1.594) 5.421 8.008 ( -0.920 0.000 3.083) 3.218 8.064 ( -5.766 0.000 2.345) 6.225 8.269 ( -2.513 0.000 -1.514) 2.934 8.419 ( 5.402 0.000 -0.521) 5.427 8.568 ( 2.268 0.000 -1.755) 2.867 10.282 ( -8.421 0.000 1.473) 8.549 10.376 ( -12.407 0.000 1.404) 12.486 10.552 ( -5.186 0.000 1.686) 5.453 11.017 ( -9.391 0.000 -6.086) 11.190 11.043 ( -3.818 0.000 9.601) 10.333 11.108 ( -0.424 0.000 10.497) 10.506 11.910 ( -18.484 0.000 -3.131) 18.747 12.147 ( -17.738 0.000 -0.666) 17.751 12.347 ( -2.156 0.000 5.084) 5.522 12.449 ( -2.593 0.000 2.769) 3.794 13.111 ( 2.703 0.000 -1.018) 2.889 13.147 ( -6.854 0.000 -8.674) 11.056 13.186 ( 3.347 0.000 -1.588) 3.705 13.271 ( -7.503 0.000 -8.625) 11.432 14.246 ( 5.313 0.000 -5.573) 7.699 14.338 ( 6.618 0.000 -6.826) 9.508 14.512 ( -5.591 0.000 0.627) 5.626 14.562 ( -5.275 0.000 0.232) 5.280 15.553 ( -0.233 0.000 -0.463) 0.518 15.656 ( 3.216 0.000 0.723) 3.296 15.662 ( -16.458 0.000 6.883) 17.839 15.769 ( -10.283 0.000 10.690) 14.832 16.770 ( 0.507 0.000 6.293) 6.313 16.900 ( -1.162 0.000 6.873) 6.970 17.507 ( 17.517 0.000 -0.137) 17.518 17.648 ( 18.290 0.000 -0.280) 18.292 18.173 ( 8.992 0.000 -4.345) 9.987 18.238 ( 11.030 0.000 -5.263) 12.221 19.593 ( 9.097 0.000 -0.420) 9.106 19.605 ( 6.574 0.000 -0.308) 6.581 19.682 ( 10.743 0.000 -1.708) 10.878 19.706 ( 7.618 0.000 0.057) 7.618 20.362 ( 2.360 0.000 -0.065) 2.360 20.449 ( 0.781 0.000 -0.331) 0.849 21.070 ( -1.230 0.000 1.485) 1.928 21.325 ( -2.488 0.000 -0.138) 2.492 21.394 ( -0.092 0.000 1.094) 1.098 21.775 ( -0.296 0.000 0.282) 0.409 21.944 ( 1.078 0.000 -0.361) 1.137 21.952 ( 0.465 0.000 -0.306) 0.556 23.965 ( -26.379 0.000 -1.032) 26.399 24.065 ( -26.345 0.000 0.620) 26.352 25.282 ( 29.285 0.000 0.044) 29.285 25.421 ( 27.342 0.000 0.435) 27.345 25.984 ( -4.203 0.000 -2.451) 4.865 26.074 ( -2.906 0.000 -1.708) 3.371 27.097 ( 5.882 0.000 0.196) 5.885 27.129 ( 4.718 0.000 -0.245) 4.725 27.983 ( -0.089 0.000 0.302) 0.315 28.021 ( 1.345 0.000 0.969) 1.657 28.185 ( 4.067 0.000 -0.347) 4.082 28.228 ( 7.696 0.000 0.463) 7.710 30.753 ( -5.237 0.000 0.401) 5.252 30.984 ( 1.256 0.000 -0.452) 1.335 31.122 ( -8.639 0.000 0.708) 8.668 31.335 ( -1.051 0.000 1.671) 1.974 31.532 ( -1.370 0.000 -2.213) 2.603 31.671 ( -5.009 0.000 -2.740) 5.709 32.302 ( -4.255 0.000 -0.290) 4.265 32.625 ( -0.204 0.000 -1.991) 2.001 35.991 ( -2.266 0.000 -0.493) 2.319 36.252 ( -2.106 0.000 2.819) 3.519 37.422 ( -9.436 0.000 1.756) 9.598 38.302 ( -1.576 0.000 -0.922) 1.826 38.389 ( -8.558 0.000 0.508) 8.573 39.039 ( 0.729 0.000 -6.417) 6.459 41.161 ( 4.546 0.000 -0.348) 4.560 41.271 ( 9.076 0.000 0.616) 9.097 41.381 ( 0.679 0.000 1.371) 1.530 41.640 ( 6.671 0.000 -0.716) 6.709 41.708 ( -5.517 0.000 -1.244) 5.656 41.851 ( -5.368 0.000 -2.499) 5.921 ======================= Grid point 83 (47/100) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -16.186 0.000 -0.396) 16.191 1.771 ( -12.438 0.000 -3.331) 12.877 2.077 ( -6.936 0.000 -0.985) 7.006 2.126 ( -9.236 0.000 -1.238) 9.319 2.242 ( -2.154 0.000 4.507) 4.995 2.456 ( 2.108 0.000 -0.821) 2.263 2.525 ( -0.834 0.000 2.857) 2.976 2.558 ( -0.276 0.000 3.112) 3.125 2.859 ( -9.722 0.000 1.749) 9.878 2.903 ( -0.690 0.000 -7.817) 7.847 3.166 ( -2.724 0.000 -11.080) 11.410 3.312 ( -9.422 0.000 -1.269) 9.507 3.358 ( 3.678 0.000 -6.047) 7.078 3.534 ( -3.280 0.000 -3.142) 4.542 3.931 ( -5.053 0.000 3.241) 6.003 4.109 ( 1.213 0.000 7.330) 7.429 4.111 ( 2.147 0.000 2.691) 3.442 4.156 ( 0.322 0.000 -2.469) 2.490 4.251 ( 1.630 0.000 8.375) 8.532 4.280 ( 3.088 0.000 7.921) 8.501 5.144 ( 3.197 0.000 -8.615) 9.189 5.249 ( -2.157 0.000 -8.648) 8.913 5.514 ( -14.816 0.000 0.662) 14.831 5.573 ( -14.854 0.000 -1.017) 14.889 6.004 ( 4.658 0.000 -2.071) 5.098 6.190 ( 0.517 0.000 -5.263) 5.289 6.223 ( 14.150 0.000 -4.555) 14.865 6.501 ( 15.460 0.000 -2.176) 15.613 7.090 ( -2.735 0.000 4.198) 5.010 7.106 ( 2.522 0.000 1.961) 3.195 7.673 ( -19.695 0.000 0.384) 19.699 7.885 ( -14.886 0.000 0.232) 14.887 7.952 ( -10.164 0.000 5.347) 11.484 8.129 ( -12.891 0.000 -0.494) 12.900 8.577 ( 10.043 0.000 0.007) 10.043 8.633 ( 5.920 0.000 -1.972) 6.240 9.973 ( -23.962 0.000 -1.078) 23.986 10.024 ( -19.804 0.000 -2.511) 19.963 10.387 ( -14.863 0.000 3.466) 15.262 10.667 ( -26.366 0.000 -5.316) 26.896 11.065 ( 0.821 0.000 11.302) 11.332 11.183 ( 3.014 0.000 10.046) 10.489 11.520 ( -16.635 0.000 -1.904) 16.744 11.745 ( -20.893 0.000 -0.024) 20.893 12.278 ( -6.500 0.000 2.631) 7.013 12.390 ( -5.061 0.000 1.681) 5.333 12.977 ( -5.892 0.000 -8.615) 10.437 13.091 ( -5.944 0.000 -7.676) 9.708 13.208 ( 7.442 0.000 -0.245) 7.446 13.271 ( 6.476 0.000 -1.448) 6.636 14.333 ( 6.405 0.000 -5.744) 8.603 14.408 ( 4.235 0.000 -5.800) 7.182 14.409 ( -4.343 0.000 -0.265) 4.351 14.460 ( -5.059 0.000 -0.213) 5.063 15.331 ( -19.104 0.000 1.868) 19.195 15.571 ( -14.753 0.000 5.869) 15.877 15.640 ( 9.909 0.000 0.145) 9.910 15.813 ( 12.877 0.000 0.756) 12.899 16.836 ( 2.471 0.000 6.433) 6.892 16.937 ( 1.328 0.000 8.362) 8.466 17.807 ( 12.019 0.000 -0.923) 12.054 17.962 ( 12.463 0.000 -0.482) 12.472 18.301 ( 5.711 0.000 -2.249) 6.138 18.385 ( 6.855 0.000 -3.764) 7.821 19.812 ( 15.193 0.000 -0.400) 15.199 19.854 ( 16.418 0.000 0.693) 16.432 19.930 ( 16.034 0.000 0.159) 16.035 19.941 ( 15.114 0.000 -1.332) 15.172 20.437 ( 5.652 0.000 0.700) 5.695 20.472 ( 1.829 0.000 -0.247) 1.845 21.028 ( -4.425 0.000 1.876) 4.806 21.255 ( -4.797 0.000 -0.283) 4.805 21.411 ( 1.337 0.000 1.909) 2.330 21.769 ( -0.651 0.000 0.576) 0.870 21.955 ( 0.656 0.000 -0.778) 1.018 21.991 ( 3.493 0.000 -0.086) 3.494 23.469 ( -24.858 0.000 -0.149) 24.858 23.576 ( -23.714 0.000 -1.202) 23.744 25.852 ( 29.914 0.000 0.217) 29.915 25.900 ( -2.775 0.000 -1.410) 3.113 25.952 ( 27.788 0.000 0.342) 27.790 26.011 ( -2.283 0.000 -2.566) 3.435 27.256 ( 8.450 0.000 0.993) 8.508 27.274 ( 12.302 0.000 1.535) 12.398 27.982 ( -0.181 0.000 0.127) 0.221 28.045 ( 0.503 0.000 0.808) 0.952 28.306 ( 8.730 0.000 -0.411) 8.740 28.429 ( 12.967 0.000 0.795) 12.991 30.570 ( -15.339 0.000 -0.809) 15.360 30.906 ( -13.814 0.000 0.702) 13.832 30.954 ( -3.934 0.000 -4.493) 5.972 31.362 ( 1.820 0.000 1.774) 2.542 31.514 ( 1.355 0.000 1.822) 2.271 31.521 ( -8.650 0.000 -3.436) 9.308 32.208 ( -4.590 0.000 0.425) 4.610 32.566 ( -4.517 0.000 -3.246) 5.562 35.927 ( -4.664 0.000 0.124) 4.665 36.210 ( -4.191 0.000 3.186) 5.264 37.165 ( -18.174 0.000 1.148) 18.211 38.157 ( -11.744 0.000 -9.177) 14.904 38.176 ( -13.824 0.000 1.030) 13.862 38.966 ( -3.894 0.000 -10.766) 11.449 41.241 ( 4.959 0.000 -4.466) 6.674 41.404 ( 5.425 0.000 -9.651) 11.071 41.478 ( 7.223 0.000 7.076) 10.111 41.613 ( -2.299 0.000 -2.865) 3.674 41.771 ( 0.110 0.000 5.897) 5.898 41.889 ( 14.214 0.000 8.415) 16.518 ======================= Grid point 84 (48/100) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -12.381 0.000 14.783) 19.283 1.540 ( -10.583 0.000 0.246) 10.586 1.850 ( -17.571 0.000 0.930) 17.596 1.934 ( -8.585 0.000 -4.118) 9.521 2.150 ( -9.263 0.000 4.104) 10.132 2.488 ( -4.997 0.000 0.175) 5.000 2.520 ( 3.885 0.000 1.951) 4.347 2.613 ( 1.669 0.000 13.885) 13.985 2.732 ( -4.300 0.000 2.163) 4.813 2.860 ( -0.561 0.000 -5.815) 5.842 3.094 ( -2.225 0.000 -4.658) 5.162 3.105 ( -11.485 0.000 -1.487) 11.581 3.349 ( -4.734 0.000 3.834) 6.091 3.483 ( 1.555 0.000 -6.360) 6.547 3.822 ( -5.702 0.000 -1.028) 5.794 4.069 ( -2.834 0.000 -5.839) 6.491 4.136 ( -2.737 0.000 7.597) 8.075 4.197 ( 0.599 0.000 0.479) 0.767 4.288 ( -1.982 0.000 6.735) 7.020 4.397 ( 4.744 0.000 7.840) 9.164 5.103 ( -3.433 0.000 -8.107) 8.804 5.191 ( 0.301 0.000 -9.148) 9.153 5.200 ( -17.552 0.000 0.214) 17.553 5.253 ( -16.682 0.000 -4.730) 17.339 6.075 ( 2.027 0.000 -0.554) 2.102 6.211 ( 2.463 0.000 -1.986) 3.164 6.381 ( 0.786 0.000 -3.786) 3.867 6.597 ( -14.342 0.000 2.307) 14.526 7.127 ( -16.358 0.000 -7.150) 17.852 7.191 ( 15.562 0.000 0.444) 15.568 7.226 ( -13.489 0.000 5.763) 14.668 7.558 ( -12.337 0.000 -1.571) 12.436 7.642 ( -22.856 0.000 1.806) 22.927 7.813 ( -16.779 0.000 0.200) 16.780 8.720 ( 2.523 0.000 -1.827) 3.115 8.749 ( 7.407 0.000 -1.034) 7.479 9.544 ( -17.730 0.000 0.307) 17.733 9.696 ( -12.380 0.000 -4.626) 13.216 10.026 ( -25.109 0.000 4.355) 25.484 10.095 ( -25.167 0.000 2.211) 25.264 11.153 ( 3.154 0.000 7.600) 8.228 11.300 ( 4.996 0.000 5.863) 7.703 11.336 ( -4.077 0.000 -0.394) 4.096 11.441 ( -10.961 0.000 -0.458) 10.971 12.161 ( -6.068 0.000 0.492) 6.088 12.281 ( -6.248 0.000 -0.228) 6.252 12.847 ( -4.089 0.000 -8.065) 9.042 12.976 ( -3.271 0.000 -7.767) 8.428 13.375 ( 10.228 0.000 -0.393) 10.236 13.415 ( 9.005 0.000 -0.299) 9.010 14.355 ( -1.280 0.000 -1.206) 1.758 14.381 ( -3.230 0.000 -0.028) 3.230 14.395 ( 1.168 0.000 -2.974) 3.195 14.475 ( 6.254 0.000 -5.952) 8.633 15.007 ( -13.523 0.000 -4.001) 14.103 15.286 ( -16.784 0.000 2.061) 16.910 15.906 ( 17.179 0.000 0.692) 17.193 16.116 ( 17.921 0.000 0.125) 17.921 16.902 ( 1.123 0.000 6.778) 6.870 17.024 ( 2.636 0.000 11.193) 11.499 17.930 ( 2.269 0.000 -0.717) 2.380 18.082 ( 1.435 0.000 -1.569) 2.126 18.369 ( 2.656 0.000 -1.111) 2.879 18.481 ( 5.232 0.000 -1.919) 5.573 20.114 ( 14.318 0.000 -0.584) 14.330 20.122 ( 9.439 0.000 0.022) 9.439 20.179 ( 11.115 0.000 -1.191) 11.178 20.260 ( 15.738 0.000 0.474) 15.745 20.507 ( 2.421 0.000 0.925) 2.591 20.586 ( 8.637 0.000 0.064) 8.637 20.924 ( -6.072 0.000 1.908) 6.365 21.156 ( -4.519 0.000 -0.815) 4.592 21.462 ( 2.535 0.000 2.818) 3.791 21.756 ( -1.203 0.000 1.178) 1.684 21.967 ( 1.148 0.000 -1.179) 1.646 22.063 ( 3.671 0.000 -0.303) 3.684 23.046 ( -19.722 0.000 0.759) 19.736 23.208 ( -13.623 0.000 -3.230) 14.001 25.898 ( 3.191 0.000 1.538) 3.542 25.980 ( 0.741 0.000 -2.957) 3.048 26.376 ( 24.756 0.000 0.170) 24.757 26.444 ( 23.627 0.000 0.505) 23.632 27.439 ( 10.170 0.000 1.310) 10.254 27.580 ( 18.699 0.000 2.987) 18.936 27.970 ( -1.400 0.000 0.145) 1.407 28.043 ( -1.247 0.000 0.839) 1.503 28.502 ( 12.252 0.000 -0.508) 12.263 28.712 ( 16.499 0.000 0.653) 16.512 30.137 ( -29.526 0.000 -2.813) 29.660 30.642 ( -13.682 0.000 0.656) 13.698 30.743 ( -16.257 0.000 -14.097) 21.518 31.344 ( -7.336 0.000 -4.452) 8.581 31.357 ( -0.314 0.000 -1.836) 1.862 31.689 ( 12.792 0.000 12.582) 17.943 32.166 ( -0.056 0.000 1.947) 1.948 32.442 ( -6.341 0.000 -3.440) 7.214 35.808 ( -8.395 0.000 0.900) 8.443 36.109 ( -8.624 0.000 3.474) 9.297 36.771 ( -23.235 0.000 0.251) 23.237 37.748 ( -24.537 0.000 -22.746) 33.458 37.905 ( -14.733 0.000 1.285) 14.789 38.807 ( -5.514 0.000 -16.723) 17.608 41.309 ( 4.971 0.000 -6.392) 8.097 41.383 ( -0.057 0.000 -12.982) 12.982 41.559 ( -2.206 0.000 -4.373) 4.898 41.700 ( 11.202 0.000 11.434) 16.007 41.892 ( 7.492 0.000 14.408) 16.239 42.307 ( 22.972 0.000 16.292) 28.163 ======================= Grid point 85 (49/100) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -4.999 0.000 24.483) 24.988 1.400 ( -6.427 0.000 6.717) 9.296 1.450 ( -23.191 0.000 3.612) 23.470 1.814 ( -2.032 0.000 0.807) 2.186 1.993 ( -7.835 0.000 2.776) 8.312 2.270 ( -22.438 0.000 7.847) 23.771 2.585 ( 1.148 0.000 1.372) 1.789 2.654 ( -6.483 0.000 -0.996) 6.559 2.666 ( -6.449 0.000 1.836) 6.705 2.849 ( 0.731 0.000 11.275) 11.299 2.903 ( -7.536 0.000 0.855) 7.585 3.038 ( -1.601 0.000 3.066) 3.459 3.267 ( -4.550 0.000 6.800) 8.182 3.517 ( 1.634 0.000 0.014) 1.634 3.730 ( -3.099 0.000 -2.655) 4.081 3.968 ( -5.148 0.000 -5.578) 7.590 4.048 ( -10.082 0.000 4.371) 10.989 4.128 ( -7.471 0.000 -1.602) 7.641 4.243 ( -5.472 0.000 1.813) 5.765 4.498 ( 2.230 0.000 1.838) 2.890 4.871 ( -16.117 0.000 -2.014) 16.243 4.953 ( -10.987 0.000 -8.638) 13.977 4.961 ( -8.247 0.000 -4.739) 9.512 5.129 ( -3.413 0.000 -5.722) 6.663 5.918 ( -17.075 0.000 0.348) 17.079 6.051 ( -34.100 0.000 1.161) 34.120 6.184 ( -9.662 0.000 1.542) 9.785 6.367 ( 4.759 0.000 -0.386) 4.774 6.542 ( -29.522 0.000 -0.512) 29.527 6.918 ( -26.740 0.000 -2.221) 26.832 7.405 ( 4.712 0.000 1.727) 5.019 7.420 ( 1.484 0.000 -5.931) 6.114 7.591 ( 5.006 0.000 -2.618) 5.649 7.774 ( 19.592 0.000 -0.621) 19.602 8.681 ( -3.073 0.000 -5.061) 5.920 8.842 ( 2.585 0.000 0.528) 2.638 9.326 ( -7.116 0.000 1.323) 7.238 9.500 ( -6.776 0.000 -6.358) 9.292 9.669 ( -13.286 0.000 8.755) 15.911 9.797 ( -11.152 0.000 9.200) 14.457 11.245 ( 3.933 0.000 2.908) 4.892 11.279 ( -2.926 0.000 -0.091) 2.928 11.326 ( -1.712 0.000 -0.203) 1.724 11.401 ( 3.485 0.000 -0.322) 3.500 12.065 ( -4.088 0.000 0.492) 4.117 12.172 ( -4.861 0.000 -1.242) 5.018 12.733 ( -4.037 0.000 -8.550) 9.455 12.861 ( -5.360 0.000 -9.418) 10.837 13.579 ( 11.196 0.000 -0.532) 11.208 13.594 ( 9.347 0.000 0.681) 9.372 14.326 ( -1.818 0.000 -0.439) 1.870 14.333 ( -7.659 0.000 1.232) 7.757 14.347 ( -0.057 0.000 -0.698) 0.700 14.519 ( -1.256 0.000 -7.603) 7.706 14.848 ( 1.169 0.000 -8.296) 8.378 15.017 ( -9.104 0.000 -1.085) 9.168 16.248 ( 17.370 0.000 0.880) 17.392 16.442 ( 15.526 0.000 -0.646) 15.540 16.944 ( -0.494 0.000 8.513) 8.528 17.128 ( 2.165 0.000 12.815) 12.997 17.930 ( -1.094 0.000 0.104) 1.099 18.052 ( -1.808 0.000 -3.178) 3.656 18.405 ( 1.856 0.000 -0.004) 1.856 18.566 ( 4.056 0.000 -0.722) 4.120 20.211 ( -6.002 0.000 0.352) 6.013 20.224 ( 2.926 0.000 -0.651) 2.998 20.326 ( 4.337 0.000 -1.193) 4.498 20.370 ( -5.126 0.000 -0.377) 5.139 20.572 ( 3.991 0.000 1.279) 4.191 20.728 ( 6.051 0.000 -1.991) 6.370 20.949 ( 9.103 0.000 0.348) 9.110 21.141 ( 4.488 0.000 -0.607) 4.529 21.507 ( 0.094 0.000 3.420) 3.421 21.728 ( -2.597 0.000 1.064) 2.806 21.984 ( 1.212 0.000 -1.669) 2.063 22.109 ( 1.368 0.000 -0.452) 1.440 22.753 ( -11.469 0.000 0.355) 11.474 23.027 ( -4.610 0.000 -3.700) 5.911 26.021 ( 5.716 0.000 0.737) 5.763 26.051 ( 10.242 0.000 4.254) 11.091 26.753 ( 14.851 0.000 -0.154) 14.852 26.821 ( 15.212 0.000 0.883) 15.237 27.639 ( 9.815 0.000 1.557) 9.938 27.927 ( -3.032 0.000 0.422) 3.061 27.977 ( 20.911 0.000 0.593) 20.920 28.005 ( -3.068 0.000 1.174) 3.285 28.761 ( 15.138 0.000 -0.373) 15.143 29.046 ( 18.305 0.000 -0.283) 18.307 29.480 ( -36.394 0.000 -3.537) 36.565 30.121 ( -40.376 0.000 -27.866) 49.059 30.424 ( -9.364 0.000 0.626) 9.385 31.227 ( -2.288 0.000 -5.801) 6.236 31.390 ( 3.782 0.000 1.563) 4.092 32.052 ( 15.050 0.000 9.907) 18.018 32.238 ( 7.451 0.000 7.231) 10.383 32.332 ( -1.982 0.000 0.417) 2.025 35.623 ( -11.308 0.000 1.237) 11.375 35.908 ( -14.291 0.000 2.943) 14.591 36.328 ( -22.499 0.000 -0.831) 22.515 36.998 ( -40.720 0.000 -31.336) 51.381 37.661 ( -11.222 0.000 0.911) 11.259 38.626 ( -3.409 0.000 -21.561) 21.828 41.334 ( 1.334 0.000 -10.273) 10.359 41.363 ( 3.879 0.000 -6.497) 7.567 41.497 ( -2.141 0.000 -2.733) 3.472 41.988 ( 12.484 0.000 14.092) 18.827 42.163 ( 12.296 0.000 20.585) 23.978 42.892 ( 29.537 0.000 20.808) 36.130 ======================= Grid point 86 (50/100) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -18.550 0.000 15.114) 23.928 1.357 ( -18.743 0.000 13.898) 23.333 1.410 ( 2.165 0.000 6.748) 7.087 1.740 ( -21.781 0.000 7.697) 23.101 1.901 ( -0.468 0.000 25.684) 25.689 1.912 ( -1.408 0.000 1.705) 2.211 2.366 ( -18.101 0.000 -4.756) 18.716 2.461 ( -11.253 0.000 -2.492) 11.526 2.570 ( -3.823 0.000 -1.518) 4.113 2.870 ( 0.472 0.000 7.095) 7.111 2.908 ( -0.917 0.000 6.423) 6.488 3.079 ( -0.681 0.000 9.119) 9.144 3.303 ( 2.825 0.000 19.230) 19.436 3.449 ( -9.371 0.000 4.144) 10.246 3.648 ( -5.375 0.000 -6.442) 8.390 3.818 ( -8.961 0.000 -0.860) 9.002 3.849 ( -7.703 0.000 -3.635) 8.518 3.964 ( -5.875 0.000 -3.126) 6.655 4.086 ( -9.600 0.000 0.231) 9.603 4.458 ( -2.903 0.000 -10.721) 11.107 4.620 ( -7.761 0.000 -7.054) 10.487 4.752 ( -6.109 0.000 -12.865) 14.242 4.808 ( -5.009 0.000 2.911) 5.793 5.106 ( 3.746 0.000 4.652) 5.973 5.598 ( -9.643 0.000 0.870) 9.682 5.739 ( -4.364 0.000 3.017) 5.305 5.861 ( -17.591 0.000 2.519) 17.771 6.016 ( -24.229 0.000 -2.628) 24.371 6.504 ( 7.449 0.000 3.078) 8.060 6.669 ( -0.906 0.000 1.288) 1.575 7.400 ( -1.102 0.000 -11.127) 11.182 7.458 ( 2.201 0.000 -4.055) 4.614 7.739 ( 8.436 0.000 -1.633) 8.592 8.153 ( 17.325 0.000 -2.256) 17.471 8.640 ( 1.504 0.000 -2.074) 2.562 8.862 ( -0.332 0.000 0.660) 0.739 9.227 ( -4.591 0.000 -1.143) 4.731 9.365 ( -4.620 0.000 -2.085) 5.069 9.570 ( -3.214 0.000 11.173) 11.626 9.712 ( -4.220 0.000 10.525) 11.339 11.254 ( 0.187 0.000 0.267) 0.326 11.306 ( -1.064 0.000 -0.016) 1.064 11.311 ( 1.449 0.000 -0.914) 1.714 11.413 ( -0.930 0.000 -3.500) 3.621 12.012 ( -2.339 0.000 -1.114) 2.591 12.078 ( -4.106 0.000 -1.207) 4.279 12.620 ( -3.101 0.000 -9.481) 9.975 12.682 ( -7.617 0.000 -9.834) 12.439 13.748 ( 5.982 0.000 1.234) 6.108 13.774 ( 9.150 0.000 -0.825) 9.187 14.157 ( -9.754 0.000 0.261) 9.757 14.297 ( -1.110 0.000 0.234) 1.134 14.342 ( -11.306 0.000 -3.602) 11.866 14.349 ( 0.337 0.000 -0.520) 0.620 14.912 ( 8.027 0.000 -8.993) 12.054 15.010 ( 7.997 0.000 -6.135) 10.080 16.519 ( 9.947 0.000 0.553) 9.962 16.654 ( 6.700 0.000 -0.665) 6.732 16.964 ( -2.142 0.000 10.839) 11.049 17.209 ( -0.262 0.000 10.371) 10.374 17.917 ( 0.490 0.000 -0.740) 0.888 18.029 ( 1.197 0.000 -3.303) 3.513 18.448 ( 2.330 0.000 1.549) 2.798 18.600 ( -0.969 0.000 -0.010) 0.969 19.991 ( -13.618 0.000 1.394) 13.689 20.186 ( -10.159 0.000 -2.694) 10.510 20.252 ( 0.773 0.000 -0.465) 0.903 20.335 ( -2.147 0.000 -2.005) 2.937 20.664 ( 4.670 0.000 1.488) 4.901 20.777 ( 0.247 0.000 -2.529) 2.541 21.141 ( 8.652 0.000 -0.096) 8.653 21.264 ( 6.253 0.000 -0.190) 6.256 21.493 ( -2.849 0.000 3.348) 4.396 21.668 ( -3.551 0.000 0.424) 3.577 21.994 ( 0.815 0.000 -1.917) 2.083 22.123 ( 0.573 0.000 0.042) 0.574 22.609 ( -4.425 0.000 0.065) 4.425 22.970 ( -0.347 0.000 -3.848) 3.864 26.193 ( 11.226 0.000 4.411) 12.061 26.332 ( 16.176 0.000 7.155) 17.687 26.940 ( 5.613 0.000 -0.337) 5.623 27.010 ( 4.825 0.000 0.660) 4.870 27.791 ( 4.586 0.000 0.835) 4.661 27.883 ( -1.518 0.000 1.289) 1.991 27.955 ( -2.490 0.000 1.720) 3.026 28.252 ( 3.118 0.000 -8.855) 9.388 28.850 ( -25.056 0.000 -1.574) 25.106 29.034 ( 12.338 0.000 -0.055) 12.338 29.059 ( -49.442 0.000 -17.616) 52.486 29.356 ( 13.411 0.000 -1.599) 13.506 30.296 ( -4.755 0.000 0.635) 4.797 31.191 ( 0.981 0.000 -7.418) 7.483 31.490 ( 5.012 0.000 2.989) 5.835 32.136 ( -1.319 0.000 -1.972) 2.372 32.313 ( 1.308 0.000 4.703) 4.882 32.689 ( 21.264 0.000 7.301) 22.482 35.428 ( -8.785 0.000 0.727) 8.815 35.631 ( -14.259 0.000 1.527) 14.340 35.954 ( -15.603 0.000 -2.550) 15.810 36.115 ( -32.081 0.000 -9.671) 33.507 37.504 ( -5.633 0.000 0.408) 5.648 38.493 ( 0.544 0.000 -23.033) 23.040 41.317 ( 1.037 0.000 -12.249) 12.293 41.389 ( 1.775 0.000 -5.537) 5.815 41.486 ( 2.304 0.000 1.317) 2.654 42.275 ( 9.893 0.000 14.697) 17.717 42.538 ( 15.580 0.000 22.459) 27.334 43.587 ( 32.838 0.000 15.877) 36.475 ======================= Grid point 87 (51/100) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -2.290 8.295 16.382) 18.505 1.080 ( -7.205 6.869 11.421) 15.150 1.397 ( -0.836 -7.095 14.842) 16.472 1.521 ( -0.257 -11.780 2.856) 12.124 1.962 ( 1.094 6.921 7.799) 10.484 2.090 ( -4.188 -2.898 10.821) 11.960 2.286 ( 3.077 7.156 -4.087) 8.797 2.359 ( 5.836 1.490 -0.440) 6.039 2.597 ( -0.534 9.494 -2.695) 9.884 2.787 ( -1.538 -5.221 4.267) 6.916 2.887 ( 4.144 -4.236 8.656) 10.490 2.986 ( -3.552 -10.410 9.833) 14.754 3.227 ( 5.082 -0.723 8.360) 9.810 3.320 ( 4.586 -6.760 13.101) 15.440 3.635 ( -3.146 4.719 -3.031) 6.431 3.718 ( -3.225 -2.157 -2.962) 4.881 3.839 ( 2.023 6.190 2.257) 6.892 3.967 ( 1.667 -2.344 2.814) 4.024 4.099 ( 1.709 9.103 -9.064) 12.959 4.284 ( 1.569 -6.295 -12.147) 13.771 4.532 ( -4.387 2.881 -11.936) 13.039 4.576 ( -3.802 -0.330 -10.989) 11.633 4.915 ( 1.923 6.500 9.489) 11.661 5.098 ( 0.951 -8.333 9.374) 12.578 5.627 ( 2.366 2.303 2.037) 3.879 5.696 ( 2.088 -2.878 2.949) 4.619 5.745 ( 3.268 5.724 -0.500) 6.610 5.846 ( 5.085 -1.383 -1.614) 5.511 6.630 ( 4.913 0.667 4.567) 6.741 6.683 ( 3.664 -2.630 3.756) 5.869 7.228 ( -7.711 0.277 -6.568) 10.133 7.316 ( -8.210 -5.837 -8.250) 13.021 7.926 ( -0.318 11.069 -5.824) 12.511 8.192 ( -0.167 -10.148 -7.172) 12.428 8.745 ( 4.028 3.222 0.325) 5.169 8.822 ( 2.722 -2.848 -0.020) 3.939 9.226 ( 1.837 2.051 0.534) 2.805 9.286 ( 0.437 -2.860 1.254) 3.153 9.683 ( 1.988 3.511 10.164) 10.936 9.729 ( 1.692 -0.364 9.686) 9.840 11.248 ( -3.881 0.159 -1.072) 4.030 11.263 ( -2.676 -0.932 -0.397) 2.861 11.305 ( -2.735 1.771 -2.308) 3.993 11.333 ( -4.789 -0.402 -3.631) 6.023 11.981 ( 0.137 1.612 -1.213) 2.022 12.023 ( 0.935 -1.713 -0.429) 1.998 12.543 ( -1.214 0.017 -9.224) 9.304 12.548 ( 0.320 -0.453 -10.171) 10.187 13.850 ( 0.357 2.367 -0.595) 2.466 13.882 ( 1.757 -0.558 -0.756) 1.992 14.023 ( -5.819 2.022 0.195) 6.164 14.095 ( -6.820 -3.630 -0.086) 7.726 14.324 ( 0.115 1.808 -1.018) 2.078 14.351 ( 0.082 -0.463 -0.828) 0.952 15.072 ( 10.630 1.285 -7.495) 13.070 15.112 ( 9.566 -1.989 -8.460) 12.925 16.630 ( -0.972 1.494 0.319) 1.811 16.667 ( -2.188 -1.426 -0.031) 2.612 16.996 ( -4.477 2.768 12.566) 13.624 17.093 ( -6.398 -5.343 11.241) 13.995 17.961 ( 1.009 2.195 -2.051) 3.169 18.018 ( 1.848 -2.319 -2.346) 3.781 18.511 ( 1.080 0.638 2.370) 2.681 18.534 ( -1.735 -1.084 1.989) 2.853 19.890 ( -2.819 5.069 0.469) 5.819 20.011 ( -2.301 -4.286 -1.644) 5.135 20.257 ( -0.680 0.216 -0.273) 0.764 20.265 ( -1.113 -0.421 -0.017) 1.190 20.736 ( -0.735 0.233 1.013) 1.273 20.744 ( 1.530 -0.233 1.118) 1.910 21.253 ( -0.139 1.742 -0.556) 1.834 21.299 ( -0.548 -1.960 -0.138) 2.040 21.505 ( -0.701 3.791 1.836) 4.270 21.596 ( -0.143 -3.304 1.026) 3.463 22.011 ( 0.670 1.098 -1.548) 2.012 22.062 ( 0.067 -3.372 -0.436) 3.401 22.735 ( -0.045 9.598 -3.730) 10.297 22.902 ( 0.316 -4.743 -4.253) 6.379 26.391 ( 1.648 3.250 4.166) 5.535 26.526 ( 6.520 -8.709 2.769) 11.226 27.035 ( 1.143 1.829 -0.355) 2.185 27.054 ( 0.261 0.169 -0.093) 0.324 27.816 ( -0.011 0.466 -0.986) 1.090 27.846 ( -2.519 -1.866 -1.366) 3.420 27.927 ( -1.668 1.200 2.155) 2.977 27.941 ( 0.193 -0.097 2.244) 2.254 28.615 ( -0.959 -0.361 1.123) 1.520 28.621 ( -0.314 -1.150 1.380) 1.823 29.331 ( -1.028 8.251 -4.813) 9.608 29.449 ( -1.041 -2.604 -3.339) 4.360 30.467 ( -0.941 16.637 -6.812) 18.002 30.879 ( -0.585 -17.716 -9.909) 20.307 31.839 ( 2.610 14.045 2.210) 14.455 32.063 ( 1.294 -5.095 -1.032) 5.357 32.389 ( -2.598 5.412 7.684) 9.751 32.622 ( -4.052 -13.950 8.206) 16.684 35.384 ( -2.037 3.496 -1.033) 4.176 35.454 ( -1.334 -2.295 0.058) 2.655 35.829 ( 0.872 1.328 -0.802) 1.779 35.880 ( 8.231 -3.027 0.184) 8.772 37.846 ( 1.654 24.910 -16.202) 29.762 38.290 ( 2.854 -12.412 -22.696) 26.026 41.256 ( -1.019 0.740 -9.546) 9.628 41.303 ( 0.182 -3.469 -6.890) 7.716 41.746 ( 2.764 12.864 4.086) 13.777 42.109 ( 3.142 -18.546 10.790) 21.685 43.312 ( 8.108 24.360 13.955) 29.221 43.835 ( 9.794 -19.772 7.513) 23.309 ======================= Grid point 88 (52/100) ======================= q-point: ( 0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 8.805 4.465 14.656) 17.671 1.283 ( 13.960 -1.982 9.149) 16.808 1.571 ( 13.689 2.498 12.798) 18.905 1.772 ( 19.157 -9.323 2.460) 21.446 2.008 ( 2.297 1.471 2.209) 3.510 2.096 ( 3.604 -7.006 5.259) 9.473 2.413 ( 8.577 7.088 -5.047) 12.218 2.529 ( -1.325 2.735 -2.126) 3.709 2.609 ( 12.151 7.778 -1.203) 14.477 2.828 ( 3.965 -5.086 4.758) 8.014 3.031 ( 6.019 -2.436 9.004) 11.101 3.089 ( 7.129 -5.345 12.727) 15.536 3.452 ( 13.538 1.350 3.002) 13.932 3.525 ( 11.775 -1.968 5.122) 12.991 3.694 ( 6.787 2.281 2.236) 7.501 3.767 ( 9.136 -2.558 0.856) 9.526 3.872 ( -1.437 4.663 -3.222) 5.847 3.966 ( -2.957 -2.094 -4.426) 5.720 4.099 ( 4.249 7.139 -6.676) 10.658 4.247 ( 2.064 -5.404 -8.878) 10.597 4.479 ( 7.150 5.285 -7.117) 11.389 4.560 ( 6.718 -1.156 -6.174) 9.197 5.069 ( 8.545 2.998 8.392) 12.346 5.213 ( 7.691 -9.021 9.600) 15.255 5.749 ( 9.673 1.230 4.069) 10.565 5.792 ( 8.137 -1.852 4.646) 9.551 5.990 ( 21.194 7.635 -1.295) 22.565 6.112 ( 22.734 -1.581 -2.311) 22.906 6.720 ( 1.194 0.489 5.447) 5.597 6.757 ( 1.450 -1.689 4.634) 5.141 7.053 ( -5.706 -0.050 -6.469) 8.626 7.105 ( -7.116 -3.081 -7.481) 10.775 7.803 ( -9.026 8.352 -4.839) 13.215 8.009 ( -13.953 -8.164 -7.012) 17.622 8.795 ( 0.790 4.608 -1.710) 4.978 8.883 ( 3.139 -2.387 -0.907) 4.046 9.290 ( 4.137 1.597 0.976) 4.541 9.367 ( 7.088 -4.859 0.439) 8.605 9.809 ( 7.480 3.233 8.340) 11.660 9.849 ( 6.571 0.021 7.580) 10.032 11.057 ( -13.022 1.003 -3.185) 13.443 11.093 ( -13.090 -1.912 -4.665) 14.027 11.265 ( -0.681 1.202 -0.159) 1.391 11.291 ( -0.320 -0.859 -0.230) 0.945 12.029 ( 5.042 2.394 -0.888) 5.651 12.088 ( 5.341 -2.274 -0.281) 5.812 12.509 ( 1.703 0.978 -8.826) 9.042 12.548 ( 3.868 -2.261 -10.847) 11.735 13.789 ( -5.878 2.663 -0.467) 6.470 13.837 ( -5.520 -1.421 -0.388) 5.713 13.975 ( -0.350 1.629 0.857) 1.873 14.018 ( -0.969 -1.812 0.147) 2.060 14.331 ( 0.905 0.952 -0.763) 1.519 14.348 ( 0.038 -0.485 -1.051) 1.158 15.241 ( 10.315 0.508 -6.996) 12.474 15.256 ( 10.355 -0.666 -8.572) 13.459 16.526 ( -10.164 0.713 1.003) 10.238 16.546 ( -10.445 -0.836 -0.202) 10.480 16.958 ( -6.031 1.562 12.672) 14.121 17.010 ( -7.400 -2.716 11.819) 14.207 17.954 ( 0.026 3.489 -1.506) 3.800 18.041 ( 1.584 -3.418 -2.232) 4.379 18.513 ( -1.403 0.781 0.893) 1.838 18.541 ( 0.369 -1.559 2.005) 2.567 19.973 ( 10.121 3.935 0.922) 10.898 20.072 ( 8.165 -3.891 -1.056) 9.106 20.249 ( 0.145 0.467 -0.415) 0.642 20.258 ( -0.144 -0.286 -0.060) 0.326 20.699 ( -3.654 1.776 1.521) 4.338 20.740 ( -2.619 -1.415 1.092) 3.171 21.170 ( -8.137 1.723 -0.445) 8.330 21.220 ( -7.354 -2.425 -0.112) 7.744 21.527 ( 1.811 4.296 1.582) 4.924 21.631 ( 2.826 -3.905 1.205) 4.968 22.016 ( 0.498 0.909 -1.451) 1.783 22.061 ( 0.106 -3.048 -0.442) 3.081 22.736 ( 2.259 8.580 -2.242) 9.151 22.898 ( 1.629 -4.869 -3.556) 6.245 26.315 ( -8.832 5.103 2.535) 10.510 26.492 ( -8.278 -9.908 0.150) 12.912 26.990 ( -6.212 2.137 -0.563) 6.594 27.008 ( -5.428 0.134 0.324) 5.439 27.839 ( -1.003 1.457 0.290) 1.792 27.890 ( 0.964 -2.759 -1.418) 3.249 27.945 ( 1.174 1.493 1.725) 2.565 27.972 ( 1.295 -0.608 1.605) 2.150 28.808 ( 22.793 1.897 -1.076) 22.897 28.868 ( 26.389 -3.068 -2.663) 26.700 29.160 ( -13.083 6.139 -3.408) 14.848 29.267 ( -15.079 -2.852 -3.163) 15.669 30.467 ( 3.832 14.068 -4.044) 15.131 30.844 ( 1.813 -17.223 -7.270) 18.782 31.877 ( 0.436 14.508 1.290) 14.572 32.094 ( 2.203 -4.094 -1.370) 4.847 32.320 ( -7.581 3.433 7.337) 11.094 32.491 ( -11.941 -10.326 9.515) 18.432 35.461 ( 9.830 3.385 0.555) 10.412 35.551 ( 10.501 -3.977 0.785) 11.256 35.985 ( 15.031 6.637 -1.784) 16.528 36.190 ( 22.147 -11.028 -5.347) 25.312 37.838 ( 4.926 22.488 -13.179) 26.527 38.261 ( 4.768 -12.730 -19.890) 24.091 41.187 ( -1.968 2.022 -7.679) 8.181 41.260 ( -1.551 -4.183 -5.437) 7.033 41.787 ( -0.333 13.179 3.270) 13.583 42.162 ( -2.531 -18.672 8.528) 20.683 43.361 ( -8.224 21.115 9.904) 24.730 43.806 ( -14.062 -16.115 4.790) 21.918 ======================= Grid point 89 (53/100) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 14.851 0.724 8.819) 17.287 1.546 ( 12.184 -7.575 7.371) 16.130 1.857 ( 8.711 9.579 9.205) 15.886 2.063 ( 3.767 4.201 -1.903) 5.955 2.096 ( 11.950 -4.832 5.134) 13.874 2.244 ( 6.399 -8.716 0.753) 10.839 2.457 ( 1.585 5.584 -2.153) 6.191 2.570 ( 9.458 -0.975 -0.930) 9.553 2.817 ( 8.541 6.053 -2.488) 10.760 2.967 ( 7.375 -6.376 2.787) 10.139 3.181 ( 4.198 2.233 9.596) 10.709 3.254 ( 3.094 -2.421 11.170) 11.841 3.609 ( 1.513 1.540 -3.073) 3.755 3.681 ( -0.358 -3.523 1.143) 3.721 3.746 ( -4.651 2.153 -8.901) 10.271 3.766 ( -3.703 1.762 -6.449) 7.642 3.909 ( 5.648 2.987 1.279) 6.516 3.970 ( 8.481 -1.673 3.010) 9.154 4.265 ( 11.654 4.327 0.931) 12.466 4.392 ( 13.452 -6.487 -1.134) 14.978 4.678 ( 13.612 4.367 -3.646) 14.753 4.733 ( 12.854 -0.400 -2.610) 13.123 5.260 ( 7.929 4.199 2.151) 9.226 5.409 ( 6.752 -7.583 1.539) 10.270 6.042 ( 19.789 1.957 3.903) 20.265 6.112 ( 20.680 -4.088 2.319) 21.208 6.434 ( 18.190 6.593 2.909) 19.565 6.586 ( 16.877 -5.659 3.115) 18.071 6.719 ( 4.527 3.633 -5.693) 8.130 6.787 ( 7.214 -1.036 -2.747) 7.788 7.056 ( 8.072 0.433 -0.178) 8.085 7.095 ( 12.201 -1.946 -0.990) 12.395 7.605 ( -7.239 3.235 -2.807) 8.411 7.686 ( -14.135 -3.342 -3.823) 15.019 8.774 ( -1.552 6.564 -2.693) 7.263 8.903 ( -1.029 -3.718 -1.005) 3.987 9.410 ( 8.787 3.075 0.648) 9.332 9.527 ( 10.023 -6.347 -1.044) 11.909 10.052 ( 12.163 1.595 5.415) 13.409 10.066 ( 16.754 0.450 5.678) 17.696 10.785 ( -13.699 0.448 -0.439) 13.713 10.806 ( -14.210 -1.242 -1.514) 14.344 11.273 ( 1.790 0.622 -0.291) 1.917 11.288 ( 0.417 -0.589 -0.146) 0.736 12.143 ( 6.855 2.277 -0.409) 7.234 12.197 ( 5.958 -2.031 -0.388) 6.307 12.513 ( 3.034 1.770 -8.240) 8.957 12.572 ( 4.121 -3.033 -10.201) 11.412 13.643 ( -8.923 2.583 -0.552) 9.306 13.693 ( -8.968 -1.558 -0.266) 9.106 14.003 ( 3.166 2.563 0.561) 4.112 14.067 ( 5.055 -2.555 -0.367) 5.676 14.343 ( 0.431 0.256 -0.975) 1.096 14.350 ( 1.487 -0.327 -1.011) 1.828 15.391 ( 9.591 1.351 -7.478) 12.237 15.423 ( 10.693 -1.191 -6.395) 12.516 16.273 ( -16.570 0.335 1.290) 16.623 16.285 ( -16.474 -0.566 -0.250) 16.486 16.889 ( -7.038 1.841 11.985) 14.020 16.938 ( -6.468 -2.119 12.603) 14.324 17.973 ( 2.412 3.425 -0.878) 4.280 18.056 ( 0.864 -3.110 -2.100) 3.851 18.472 ( -3.331 1.894 -0.414) 3.854 18.527 ( -2.641 -2.527 -0.210) 3.661 20.181 ( 7.090 0.889 0.607) 7.172 20.207 ( 2.764 -1.220 -0.839) 3.136 20.245 ( -1.000 0.718 -0.111) 1.237 20.253 ( -0.093 0.105 -0.213) 0.255 20.619 ( -5.285 1.728 2.002) 5.909 20.666 ( -5.389 -1.938 1.388) 5.893 20.982 ( -9.430 2.654 0.069) 9.796 21.066 ( -6.515 -4.310 0.155) 7.814 21.568 ( 1.418 5.692 1.315) 6.011 21.695 ( 2.884 -4.450 1.129) 5.422 22.011 ( -0.583 1.099 -1.115) 1.671 22.057 ( -0.555 -2.872 -0.508) 2.968 22.821 ( 8.221 6.647 -1.202) 10.640 22.955 ( 6.760 -4.267 -2.809) 8.473 26.160 ( -7.392 4.593 1.252) 8.793 26.303 ( -10.229 -7.142 -0.687) 12.495 26.786 ( -15.677 2.440 -0.240) 15.868 26.820 ( -15.295 -0.657 0.311) 15.312 27.728 ( -9.929 1.343 1.158) 10.087 27.769 ( -11.047 -1.922 0.920) 11.250 27.985 ( 1.988 1.600 0.811) 2.678 28.017 ( 2.285 -1.004 1.217) 2.776 28.837 ( -16.403 3.263 -0.666) 16.738 28.913 ( -18.018 -2.764 -0.933) 18.253 29.394 ( 35.938 3.916 -3.962) 36.367 29.511 ( 37.586 -5.608 -7.942) 38.823 30.573 ( 9.046 11.976 -2.558) 15.225 30.895 ( 6.737 -15.012 -4.792) 17.138 31.858 ( -3.245 16.046 0.962) 16.399 32.119 ( 0.078 -4.149 0.188) 4.154 32.209 ( -6.374 0.830 5.235) 8.290 32.306 ( -10.520 -8.601 5.438) 14.637 35.702 ( 13.429 3.513 1.365) 13.948 35.803 ( 13.791 -4.767 2.207) 14.758 36.335 ( 22.171 9.330 -1.651) 24.111 36.605 ( 24.555 -13.617 -6.486) 28.817 37.916 ( 9.489 19.143 -10.222) 23.686 38.290 ( 7.767 -11.889 -16.764) 21.971 41.113 ( -2.433 2.691 -5.663) 6.725 41.197 ( -2.725 -4.282 -3.743) 6.307 41.767 ( -2.923 12.004 1.878) 12.497 42.097 ( -7.542 -15.642 5.705) 18.278 43.141 ( -17.945 14.772 7.258) 24.350 43.443 ( -24.863 -10.286 5.233) 27.411 ======================= Grid point 90 (54/100) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 12.957 0.580 2.572) 13.222 1.804 ( 11.379 -4.982 3.408) 12.881 2.034 ( 7.346 5.721 3.297) 9.878 2.124 ( 3.791 2.864 1.006) 4.857 2.231 ( 2.841 -4.292 -0.828) 5.213 2.326 ( 4.072 -7.956 3.111) 9.464 2.628 ( 10.723 8.945 5.380) 14.964 2.755 ( 8.171 1.228 1.936) 8.487 2.925 ( 5.497 5.463 -1.949) 7.991 3.066 ( 0.642 -8.083 3.649) 8.892 3.273 ( 2.726 1.709 4.353) 5.413 3.322 ( 1.265 -0.395 4.430) 4.624 3.532 ( -3.700 1.287 -7.266) 8.255 3.552 ( -6.221 -0.762 -8.387) 10.471 3.629 ( -6.831 2.609 -2.665) 7.783 3.719 ( 0.962 -4.930 -3.038) 5.870 4.050 ( 5.937 3.575 4.603) 8.319 4.118 ( 5.477 -2.465 4.876) 7.736 4.422 ( 3.089 5.891 0.970) 6.722 4.580 ( 3.306 -7.319 1.501) 8.170 4.934 ( 16.240 3.942 -2.208) 16.856 4.992 ( 15.122 -0.628 0.085) 15.136 5.357 ( 3.026 3.994 -3.366) 6.036 5.460 ( 0.459 -4.164 -3.400) 5.395 6.256 ( -2.141 1.328 -1.127) 2.759 6.338 ( 0.720 -5.137 -1.651) 5.443 6.608 ( 0.475 2.928 -3.295) 4.433 6.646 ( 6.300 -0.215 3.181) 7.061 6.841 ( 1.750 0.825 -1.707) 2.580 6.921 ( -4.198 -5.281 -3.771) 7.729 7.393 ( 22.472 9.135 2.368) 24.373 7.555 ( 27.246 -4.308 2.057) 27.661 7.653 ( 17.758 0.683 0.449) 17.777 7.693 ( 18.815 -2.806 -2.002) 19.128 8.710 ( -4.344 6.075 -2.472) 7.867 8.826 ( -6.670 -3.350 -1.266) 7.570 9.650 ( 16.915 2.972 -1.158) 17.213 9.748 ( 14.754 -4.981 -2.346) 15.748 10.368 ( 18.820 5.513 2.623) 19.785 10.491 ( 24.758 -4.424 1.503) 25.195 10.591 ( -6.627 0.324 6.921) 9.588 10.606 ( -6.756 -0.829 7.364) 10.028 11.324 ( 5.298 1.019 -0.685) 5.439 11.352 ( 7.475 -1.241 -0.690) 7.608 12.256 ( 4.222 1.616 0.307) 4.531 12.293 ( 4.206 -1.348 -0.065) 4.418 12.572 ( 8.608 2.215 -8.062) 12.000 12.637 ( 8.711 -3.034 -9.081) 12.944 13.464 ( -9.232 2.527 -0.877) 9.611 13.517 ( -9.027 -1.763 -0.708) 9.225 14.083 ( 4.551 2.899 -0.914) 5.473 14.158 ( 4.227 -3.190 -1.418) 5.483 14.363 ( 2.613 1.162 -1.122) 3.072 14.390 ( 3.378 -1.091 -0.718) 3.622 15.536 ( 9.029 2.462 -5.178) 10.696 15.596 ( 10.027 -2.276 -3.654) 10.911 15.946 ( -17.309 0.605 0.054) 17.319 15.962 ( -16.858 -0.663 1.086) 16.906 16.823 ( -5.466 2.317 11.277) 12.744 16.881 ( -5.710 -2.297 12.139) 13.610 18.000 ( -0.526 1.354 -0.634) 1.584 18.029 ( -3.733 -0.942 -1.554) 4.152 18.379 ( -5.947 2.038 -1.916) 6.572 18.435 ( -6.275 -2.420 -2.651) 7.229 20.103 ( -13.416 1.146 -0.322) 13.469 20.132 ( -10.553 -0.831 -0.190) 10.587 20.170 ( -9.393 0.149 0.270) 9.398 20.180 ( -6.549 -0.378 -0.642) 6.591 20.535 ( -4.310 0.944 1.386) 4.625 20.565 ( -6.185 -1.423 1.222) 6.464 20.928 ( 3.677 4.163 1.419) 5.733 21.055 ( 4.225 -6.357 0.855) 7.681 21.587 ( -0.009 7.520 1.015) 7.588 21.740 ( 1.311 -5.014 0.788) 5.242 21.986 ( -1.416 1.148 -0.730) 1.964 22.029 ( -2.199 -2.460 -0.266) 3.310 23.054 ( 17.160 4.517 -0.638) 17.756 23.150 ( 15.576 -3.215 -2.117) 16.044 26.069 ( -2.568 2.270 0.305) 3.441 26.137 ( -6.314 -3.326 -1.109) 7.222 26.401 ( -24.423 2.082 -0.165) 24.512 26.439 ( -24.513 -1.104 0.118) 24.538 27.524 ( -11.428 0.616 0.774) 11.471 27.546 ( -12.516 -1.101 1.319) 12.634 28.013 ( 0.500 1.822 0.455) 1.944 28.050 ( 0.550 -1.191 0.808) 1.541 28.548 ( -13.624 2.101 -0.460) 13.793 28.603 ( -14.558 -2.218 0.327) 14.730 30.032 ( 31.386 3.188 -2.280) 31.630 30.134 ( 30.310 -5.228 -5.140) 31.184 30.775 ( 12.963 10.170 -1.732) 16.567 31.043 ( 10.394 -12.651 -3.097) 16.663 31.769 ( -5.865 14.050 0.490) 15.233 32.018 ( -11.585 -6.049 4.790) 13.919 32.166 ( -0.035 1.096 2.210) 2.467 32.233 ( 2.867 -5.057 -3.731) 6.908 35.926 ( 9.029 3.938 1.174) 9.920 36.037 ( 9.016 -5.065 2.878) 10.734 36.773 ( 23.803 9.703 0.057) 25.705 37.046 ( 24.421 -13.162 -3.824) 28.005 38.100 ( 14.007 15.041 -6.910) 21.683 38.400 ( 11.335 -9.818 -13.268) 20.023 41.048 ( -1.977 2.759 -3.600) 4.948 41.129 ( -2.858 -3.869 -2.202) 5.290 41.705 ( -3.964 9.214 0.330) 10.036 41.947 ( -10.206 -10.665 3.113) 15.086 42.800 ( -20.244 8.456 4.379) 22.371 42.976 ( -25.885 -5.976 3.679) 26.820 ======================= Grid point 91 (55/100) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 9.445 -0.023 -0.605) 9.464 1.989 ( 7.361 -2.551 1.512) 7.936 2.146 ( 4.504 2.771 -0.131) 5.289 2.217 ( 3.028 -2.754 3.057) 5.109 2.318 ( 7.846 2.844 0.619) 8.369 2.435 ( 4.747 -5.599 2.765) 7.844 2.674 ( -4.470 10.735 1.216) 11.692 2.861 ( -2.941 -4.508 -0.376) 5.396 3.053 ( 6.554 2.408 2.790) 7.519 3.084 ( 1.990 -1.588 4.287) 4.987 3.286 ( -3.097 1.001 -1.076) 3.428 3.359 ( 1.087 -3.439 -2.961) 4.667 3.440 ( 0.130 1.974 -4.480) 4.898 3.487 ( 1.409 -1.805 -2.271) 3.225 3.555 ( 2.711 6.974 -2.746) 7.970 3.722 ( 0.776 -6.720 -3.412) 7.577 4.163 ( 3.056 2.273 6.090) 7.183 4.213 ( 1.814 -2.327 4.757) 5.598 4.395 ( -5.008 5.450 0.693) 7.434 4.521 ( -8.588 -4.978 -0.720) 9.952 5.205 ( 8.622 0.295 -1.847) 8.823 5.260 ( 9.325 -3.663 -0.464) 10.029 5.417 ( 9.796 5.328 -5.175) 12.293 5.473 ( 7.125 0.614 -4.791) 8.608 6.127 ( -8.549 2.066 -1.894) 8.997 6.237 ( -6.667 -6.830 -3.838) 10.287 6.509 ( -6.739 4.579 -9.226) 12.309 6.604 ( -9.333 -3.640 -9.310) 13.676 6.828 ( 2.654 3.885 6.052) 7.666 6.921 ( 2.215 -3.879 7.182) 8.458 7.742 ( 13.434 6.613 1.876) 15.090 7.900 ( 12.192 -6.043 0.928) 13.639 8.061 ( 16.459 1.688 0.149) 16.546 8.118 ( 18.210 -1.678 1.186) 18.326 8.573 ( -9.100 3.483 -2.362) 10.026 8.648 ( -10.580 -2.543 -1.906) 11.047 9.977 ( 15.996 1.968 -2.446) 16.302 10.041 ( 15.621 -3.374 -2.598) 16.191 10.634 ( 8.032 1.140 11.083) 13.735 10.649 ( 7.184 -0.575 13.768) 15.541 10.714 ( 11.433 8.084 3.676) 14.477 10.904 ( 15.146 -6.636 -1.889) 16.644 11.550 ( 20.454 2.053 -2.486) 20.706 11.615 ( 21.317 -3.309 0.033) 21.572 12.299 ( 0.955 2.444 0.702) 2.716 12.355 ( 2.247 -2.084 1.060) 3.243 12.787 ( 17.721 1.676 -7.700) 19.394 12.832 ( 16.041 -1.950 -8.206) 18.123 13.302 ( -7.201 2.341 -1.114) 7.654 13.355 ( -7.559 -1.909 -1.448) 7.930 14.145 ( 2.836 2.027 -2.904) 4.537 14.202 ( 1.574 -2.657 -2.789) 4.161 14.436 ( 5.372 1.943 -0.688) 5.753 14.476 ( 6.002 -1.433 -0.483) 6.190 15.648 ( -6.599 0.670 -0.216) 6.636 15.662 ( -4.675 0.011 -0.082) 4.676 15.718 ( -2.417 1.533 1.030) 3.041 15.768 ( 5.740 -2.076 0.884) 6.167 16.797 ( -2.487 2.062 10.090) 10.594 16.847 ( -3.284 -1.910 10.808) 11.457 17.863 ( -13.698 1.467 -0.966) 13.810 17.897 ( -11.208 -1.179 -0.367) 11.276 18.233 ( -8.038 1.516 -3.393) 8.855 18.275 ( -8.386 -1.813 -4.853) 9.857 19.818 ( -13.978 0.887 -0.106) 14.007 19.848 ( -14.972 -1.469 0.337) 15.048 19.954 ( -13.102 2.665 -0.536) 13.381 20.012 ( -11.681 -2.052 -0.777) 11.885 20.456 ( -4.982 0.501 0.324) 5.018 20.475 ( -2.639 -0.937 0.431) 2.833 21.031 ( 4.509 3.798 1.637) 6.119 21.151 ( 4.089 -6.415 1.227) 7.706 21.583 ( -0.612 8.390 0.531) 8.429 21.749 ( -0.530 -5.414 0.289) 5.448 21.959 ( -0.952 0.727 -0.385) 1.258 21.985 ( -2.024 -1.386 -0.095) 2.455 23.454 ( 25.007 3.003 -0.495) 25.192 23.522 ( 24.229 -2.400 -1.050) 24.371 25.880 ( -28.397 1.574 0.304) 28.442 25.922 ( -28.090 -1.766 0.415) 28.149 26.069 ( 0.493 0.515 -0.992) 1.222 26.078 ( -1.160 -0.211 -1.288) 1.746 27.317 ( -10.636 0.266 -0.107) 10.639 27.329 ( -10.434 -0.686 0.343) 10.462 28.011 ( -0.747 1.683 0.368) 1.878 28.048 ( -1.082 -1.242 0.679) 1.782 28.325 ( -9.738 1.517 -0.251) 9.858 28.365 ( -10.849 -1.622 0.617) 10.987 30.507 ( 19.011 2.077 -0.267) 19.126 30.576 ( 17.938 -3.729 -1.492) 18.382 31.016 ( 12.329 8.087 -0.619) 14.758 31.226 ( 9.200 -9.862 -1.484) 13.569 31.674 ( -3.387 8.270 -0.966) 8.988 31.818 ( -10.093 -4.125 1.102) 10.959 32.222 ( 5.205 3.233 -0.075) 6.128 32.317 ( 6.913 -4.257 -3.038) 8.669 36.047 ( 3.610 4.205 0.578) 5.572 36.163 ( 3.299 -5.121 2.476) 6.576 37.195 ( 19.673 9.798 1.640) 22.039 37.466 ( 20.540 -12.632 -0.386) 24.116 38.353 ( 14.608 11.452 -3.761) 18.939 38.580 ( 12.960 -7.421 -9.335) 17.612 41.011 ( -0.404 2.250 -1.591) 2.785 41.075 ( -1.895 -2.899 -0.846) 3.565 41.630 ( -3.644 5.262 -0.870) 6.460 41.759 ( -10.336 -5.151 1.128) 11.603 42.447 ( -18.315 3.800 1.508) 18.765 42.534 ( -21.403 -3.238 0.880) 21.664 ======================= Grid point 92 (56/100) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 4.242 0.014 1.242) 4.421 2.116 ( 5.512 -1.993 -0.869) 5.925 2.219 ( 3.129 2.214 -0.862) 3.928 2.264 ( 1.018 -2.020 0.321) 2.285 2.434 ( 0.578 3.700 0.875) 3.846 2.481 ( -1.114 -0.615 1.822) 2.223 2.591 ( -2.535 5.943 -0.040) 6.461 2.735 ( -7.817 -5.238 -0.680) 9.434 3.081 ( -0.602 -0.431 -1.542) 1.711 3.106 ( -1.290 -2.121 -6.003) 6.496 3.251 ( 1.802 5.541 0.413) 5.841 3.376 ( 1.883 -4.566 -2.228) 5.418 3.511 ( 5.280 0.935 0.411) 5.378 3.555 ( 5.613 -2.115 -0.993) 6.080 3.636 ( 5.108 4.112 0.362) 6.568 3.725 ( 1.649 -2.997 -2.557) 4.271 4.200 ( -2.706 1.038 2.954) 4.138 4.228 ( -1.382 -0.283 4.005) 4.246 4.298 ( -7.308 -0.286 0.239) 7.317 4.319 ( -7.635 -1.170 -0.146) 7.726 5.234 ( -0.043 1.732 -6.271) 6.506 5.305 ( 1.061 -4.189 -4.545) 6.271 5.651 ( 11.233 4.145 1.117) 12.025 5.694 ( 12.092 1.966 -0.864) 12.282 5.957 ( -7.062 3.374 -3.792) 8.696 6.102 ( -4.556 -7.484 -6.468) 10.890 6.352 ( -3.745 2.710 -9.626) 10.679 6.395 ( -6.817 -1.241 -9.017) 11.372 6.941 ( 5.364 2.653 7.245) 9.397 7.010 ( 3.225 -2.852 7.653) 8.781 7.921 ( 4.385 5.320 3.324) 7.654 8.061 ( 4.722 -5.015 1.716) 7.099 8.209 ( -0.140 1.108 -0.812) 1.380 8.282 ( -5.790 -3.114 -0.349) 6.583 8.407 ( -0.504 3.463 -1.587) 3.842 8.482 ( -3.673 -2.626 -1.137) 4.656 10.198 ( 7.896 1.903 3.577) 8.875 10.262 ( 7.852 -3.477 3.821) 9.399 10.800 ( 2.207 10.060 0.230) 10.302 10.907 ( 10.114 -0.731 9.859) 14.143 10.921 ( 9.798 1.017 9.219) 13.492 11.052 ( 3.842 -7.427 -3.333) 9.002 11.971 ( 20.614 2.164 -3.007) 20.944 12.035 ( 19.291 -3.093 -0.617) 19.547 12.323 ( 1.048 3.093 2.541) 4.138 12.397 ( 1.467 -2.851 2.315) 3.955 13.112 ( 17.091 0.476 -7.861) 18.818 13.123 ( 17.277 -0.422 -8.665) 19.333 13.193 ( -3.210 1.258 -0.890) 3.561 13.224 ( -5.139 -1.234 -1.789) 5.580 14.170 ( 2.393 1.055 -4.885) 5.541 14.202 ( 0.795 -1.499 -4.471) 4.782 14.539 ( 4.759 2.276 0.341) 5.286 14.590 ( 4.880 -1.796 0.244) 5.206 15.546 ( 0.016 1.175 -0.387) 1.237 15.580 ( -0.308 -1.585 0.610) 1.726 15.805 ( 2.644 2.461 6.485) 7.423 15.860 ( 1.040 -1.903 6.873) 7.207 16.815 ( -1.089 1.859 8.612) 8.877 16.860 ( -0.822 -1.709 8.935) 9.134 17.538 ( -17.895 2.474 -0.121) 18.065 17.600 ( -17.389 -2.430 -0.239) 17.560 18.074 ( -5.063 1.117 -5.438) 7.513 18.106 ( -5.454 -1.416 -6.413) 8.537 19.627 ( -6.076 0.864 -0.207) 6.141 19.650 ( -5.994 -0.928 0.170) 6.067 19.708 ( -11.250 2.312 -1.181) 11.546 19.765 ( -12.385 -2.260 -1.488) 12.677 20.389 ( -2.243 1.754 -0.189) 2.854 20.436 ( -1.514 -1.968 -0.165) 2.489 21.094 ( 1.571 3.522 1.348) 4.086 21.206 ( 1.299 -6.106 1.017) 6.324 21.573 ( -0.626 8.136 0.156) 8.161 21.733 ( -1.022 -5.288 0.076) 5.387 21.947 ( -0.326 0.285 -0.203) 0.478 21.957 ( -0.916 -0.517 -0.240) 1.079 23.958 ( 27.555 2.403 -0.532) 27.665 24.015 ( 26.787 -2.105 -0.001) 26.870 25.335 ( -28.186 1.734 0.095) 28.239 25.379 ( -28.030 -1.816 0.399) 28.091 26.075 ( 1.054 1.148 -1.711) 2.315 26.102 ( 1.757 -0.987 -0.886) 2.201 27.142 ( -7.088 0.779 -0.851) 7.181 27.164 ( -6.734 -0.996 -0.584) 6.833 27.995 ( -0.947 1.168 0.516) 1.590 28.022 ( -1.820 -0.951 0.790) 2.200 28.186 ( -4.812 0.901 -0.122) 4.897 28.208 ( -5.725 -0.912 0.236) 5.802 30.750 ( 7.336 1.593 0.536) 7.526 30.802 ( 7.168 -2.812 0.351) 7.708 31.205 ( 7.057 5.950 0.324) 9.236 31.341 ( 2.884 -5.093 -0.129) 5.854 31.649 ( 1.326 0.655 -2.105) 2.573 31.670 ( -5.275 -0.919 -1.360) 5.525 32.336 ( 6.071 4.411 -0.689) 7.536 32.441 ( 6.894 -4.027 -1.915) 8.211 36.083 ( 0.465 4.316 0.094) 4.342 36.202 ( 0.150 -5.184 1.882) 5.517 37.502 ( 11.395 10.380 2.402) 15.601 37.791 ( 12.965 -13.577 2.087) 18.888 38.582 ( 10.450 10.401 -2.034) 14.884 38.778 ( 11.148 -6.142 -5.636) 13.920 41.023 ( 2.130 1.076 0.274) 2.402 41.056 ( 0.144 -1.530 0.339) 1.574 41.566 ( -2.413 1.067 -1.389) 2.982 41.584 ( -7.947 -0.416 -0.188) 7.960 42.133 ( -14.704 2.367 -0.971) 14.925 42.196 ( -14.270 -2.586 -1.772) 14.611 ======================= Grid point 93 (57/100) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.306 0.608 0.361) 0.770 2.155 ( -1.687 -0.664 -2.376) 2.988 2.230 ( -2.741 0.138 -2.813) 3.930 2.237 ( -2.146 -0.330 -3.358) 3.999 2.379 ( -3.136 5.764 2.669) 7.084 2.452 ( -1.356 1.015 1.704) 2.403 2.566 ( -1.687 -1.560 -0.773) 2.425 2.594 ( -6.291 -3.724 -1.017) 7.381 3.032 ( -1.794 1.825 -5.701) 6.249 3.073 ( -0.758 -1.628 -3.542) 3.971 3.307 ( 3.128 3.787 -2.851) 5.679 3.402 ( 2.071 -4.422 -5.482) 7.341 3.525 ( -0.660 2.859 -6.359) 7.003 3.626 ( -0.190 -4.740 -6.346) 7.923 3.759 ( 6.402 2.568 5.965) 9.120 3.807 ( 7.743 -1.363 6.868) 10.440 4.115 ( -5.307 2.101 2.856) 6.382 4.165 ( -2.517 -1.902 2.639) 4.113 4.224 ( -2.957 -0.646 3.332) 4.502 4.239 ( -4.398 -1.552 1.549) 4.914 5.198 ( 0.051 4.730 -7.080) 8.515 5.302 ( 0.776 -3.677 -5.157) 6.381 5.775 ( 1.313 1.638 1.075) 2.359 5.811 ( 0.857 -0.320 -0.548) 1.066 5.879 ( 1.644 5.252 -4.221) 6.935 6.015 ( -0.631 -5.534 -8.409) 10.087 6.279 ( -1.441 0.880 -6.419) 6.637 6.298 ( 0.501 -0.236 -6.770) 6.793 7.067 ( 3.108 1.856 7.744) 8.549 7.101 ( 2.022 -0.610 7.250) 7.552 7.949 ( -1.950 3.315 3.097) 4.938 8.048 ( -7.546 -3.503 0.826) 8.360 8.130 ( -1.413 1.512 0.901) 2.257 8.197 ( 0.293 -4.753 -2.416) 5.340 8.423 ( 1.106 3.197 -0.402) 3.407 8.499 ( 2.462 -2.685 -0.107) 3.645 10.320 ( 2.326 1.723 5.847) 6.525 10.381 ( 1.759 -3.321 5.835) 6.940 10.790 ( -2.151 11.544 -1.052) 11.789 11.028 ( -0.386 -6.389 -1.044) 6.486 11.066 ( 1.208 -0.276 7.214) 7.320 11.072 ( -0.822 -1.939 3.993) 4.514 12.162 ( 0.105 3.335 -2.507) 4.173 12.250 ( 2.158 -3.602 -1.013) 4.319 12.359 ( 0.905 2.723 3.929) 4.866 12.428 ( 0.133 -2.742 3.091) 4.134 13.131 ( -2.093 0.344 -2.156) 3.024 13.144 ( -0.294 -0.790 -1.764) 1.955 13.280 ( 2.877 2.181 -7.732) 8.533 13.329 ( 4.914 -1.781 -8.514) 9.990 14.206 ( 3.861 0.834 -5.508) 6.778 14.227 ( 5.494 -0.823 -6.355) 8.441 14.585 ( -0.604 1.596 0.742) 1.861 14.622 ( -1.886 -1.387 0.946) 2.525 15.586 ( 1.437 1.161 -0.506) 1.915 15.617 ( 1.400 -1.278 0.123) 1.899 15.831 ( -4.769 1.405 10.535) 11.649 15.863 ( -5.754 -1.131 11.225) 12.665 16.809 ( -3.233 2.582 6.902) 8.048 16.872 ( -2.242 -2.403 7.154) 7.873 17.336 ( 0.109 2.543 0.259) 2.559 17.401 ( 0.361 -2.592 -0.021) 2.617 18.052 ( 5.824 0.363 -6.217) 8.527 18.066 ( 5.712 -0.759 -6.611) 8.770 19.554 ( -2.872 0.966 -1.624) 3.438 19.567 ( -1.372 0.609 -0.643) 1.633 19.601 ( -1.688 -0.654 -1.543) 2.379 19.613 ( 0.837 -0.976 0.069) 1.287 20.366 ( -0.130 1.970 -0.317) 2.000 20.418 ( -0.225 -2.147 -0.342) 2.186 21.113 ( 0.010 3.355 1.236) 3.575 21.218 ( -0.243 -5.741 0.855) 5.809 21.561 ( -0.648 7.928 0.004) 7.954 21.718 ( -0.555 -5.239 0.086) 5.269 21.941 ( -0.177 0.178 -0.257) 0.359 21.946 ( -0.072 -0.260 -0.344) 0.437 24.338 ( 1.271 1.561 -0.307) 2.036 24.374 ( 1.680 -1.253 0.209) 2.106 24.954 ( -2.016 2.528 0.180) 3.238 25.021 ( 0.319 -2.756 0.252) 2.786 26.070 ( -1.208 1.489 -1.956) 2.739 26.106 ( -1.088 -1.328 -1.411) 2.223 27.061 ( -0.831 0.920 -0.825) 1.489 27.085 ( -1.064 -0.973 -0.769) 1.634 27.988 ( -0.017 0.563 0.667) 0.873 28.000 ( -0.501 -0.416 0.940) 1.144 28.145 ( 0.639 0.298 -0.118) 0.715 28.153 ( -0.260 -0.341 -0.090) 0.438 30.820 ( 0.564 1.979 0.584) 2.140 30.884 ( 1.941 -3.385 0.693) 3.963 31.271 ( -0.100 4.289 0.663) 4.341 31.347 ( -1.480 -1.968 0.350) 2.487 31.597 ( -2.121 1.756 -2.150) 3.494 31.665 ( 0.205 -3.702 -2.267) 4.345 32.412 ( 1.814 5.378 -0.785) 5.730 32.536 ( 3.484 -4.596 -1.279) 5.907 36.077 ( -0.997 4.399 -0.082) 4.511 36.198 ( -1.184 -5.354 1.582) 5.707 37.635 ( 1.294 11.287 2.588) 11.652 37.956 ( 3.010 -15.628 2.759) 16.153 38.713 ( 4.217 11.779 -1.619) 12.615 38.923 ( 6.139 -6.265 -4.020) 9.649 41.087 ( 2.899 -0.144 1.100) 3.104 41.095 ( 4.872 -0.822 1.534) 5.173 41.473 ( -3.185 3.116 -0.537) 4.488 41.539 ( 0.477 -2.190 -0.984) 2.448 41.897 ( -9.366 2.762 -2.999) 10.215 41.967 ( -9.111 -2.789 -3.118) 10.026 ======================= Grid point 94 (58/100) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -11.000 0.478 -5.990) 12.535 2.013 ( -10.365 -0.185 -5.373) 11.676 2.155 ( -3.663 0.968 1.106) 3.947 2.197 ( -2.942 -2.041 1.426) 3.854 2.356 ( -2.332 6.347 2.477) 7.202 2.461 ( 1.159 1.895 -1.182) 2.517 2.497 ( -3.679 -4.417 0.561) 5.776 2.522 ( -1.111 -3.011 -1.573) 3.575 2.974 ( -1.677 1.859 -4.752) 5.371 3.018 ( -4.111 -1.314 -1.483) 4.564 3.314 ( 0.159 1.588 -8.624) 8.770 3.346 ( -1.415 -0.279 -15.893) 15.958 3.469 ( -3.906 2.463 -0.717) 4.673 3.556 ( -2.894 -3.649 -4.033) 6.161 3.932 ( 6.553 3.019 8.847) 11.416 4.001 ( 7.287 -1.992 9.039) 11.780 4.092 ( -0.061 2.939 6.491) 7.126 4.156 ( -3.387 -1.036 1.053) 3.696 4.167 ( -0.000 -2.984 2.736) 4.049 4.184 ( -2.156 -2.614 2.828) 4.414 5.175 ( 1.036 4.528 -7.156) 8.531 5.274 ( -0.968 -3.496 -6.570) 7.505 5.733 ( -6.459 1.574 1.232) 6.762 5.771 ( -5.819 -1.249 -0.902) 6.020 5.946 ( 6.857 3.712 -2.843) 8.299 6.028 ( 5.997 -2.390 -7.259) 9.714 6.255 ( -0.185 0.437 -6.380) 6.398 6.273 ( 3.838 -1.010 -4.718) 6.166 7.114 ( -0.966 2.022 6.132) 6.528 7.134 ( -1.592 0.577 5.947) 6.184 7.905 ( -5.131 0.823 1.590) 5.435 7.955 ( -4.579 -3.176 2.022) 5.929 8.104 ( -2.503 2.849 2.064) 4.318 8.195 ( -1.624 -4.834 0.263) 5.106 8.466 ( 4.631 3.429 -0.858) 5.826 8.541 ( 3.058 -2.490 -1.500) 4.219 10.293 ( -8.879 1.106 1.767) 9.120 10.332 ( -10.498 -2.261 1.983) 10.921 10.700 ( -7.671 10.131 -1.066) 12.753 10.923 ( -9.283 -7.845 -4.535) 12.972 11.056 ( -2.969 1.051 9.648) 10.149 11.087 ( -1.293 -1.506 10.083) 10.276 11.967 ( -18.213 4.588 -2.152) 18.905 12.085 ( -17.914 -4.783 -0.898) 18.564 12.373 ( -2.073 2.001 4.149) 5.051 12.424 ( -2.321 -2.016 3.113) 4.375 13.114 ( -0.492 1.062 -2.383) 2.655 13.155 ( 1.189 -2.011 -2.371) 3.329 13.196 ( -3.944 2.864 -7.169) 8.669 13.253 ( -5.057 -1.705 -7.980) 9.600 14.269 ( 5.388 1.840 -5.760) 8.099 14.315 ( 5.999 -1.810 -6.361) 8.929 14.525 ( -5.319 1.049 0.414) 5.437 14.550 ( -5.211 -0.952 0.249) 5.303 15.578 ( -0.002 1.908 -0.251) 1.924 15.625 ( -0.360 -1.879 0.609) 2.008 15.699 ( -12.109 2.191 7.716) 14.525 15.748 ( -11.048 -1.778 9.868) 14.919 16.801 ( -0.100 2.513 6.305) 6.788 16.866 ( -0.944 -2.657 6.600) 7.177 17.541 ( 17.724 2.767 -0.136) 17.939 17.612 ( 18.128 -2.843 -0.223) 18.351 18.186 ( 9.559 1.130 -4.546) 10.645 18.219 ( 10.574 -1.443 -5.000) 11.785 19.604 ( 9.022 0.773 -0.510) 9.070 19.613 ( 7.442 0.261 -0.327) 7.454 19.675 ( 9.660 -0.101 -1.233) 9.739 19.691 ( 7.762 -1.116 -0.216) 7.845 20.381 ( 1.856 1.612 -0.152) 2.463 20.425 ( 1.085 -1.861 -0.279) 2.172 21.108 ( -1.276 3.190 1.455) 3.731 21.207 ( -1.489 -5.318 1.088) 5.628 21.550 ( -0.464 8.177 0.080) 8.190 21.712 ( -0.092 -5.364 0.131) 5.366 21.943 ( 0.628 0.045 -0.364) 0.727 21.947 ( 0.398 -0.302 -0.331) 0.599 23.993 ( -26.236 2.151 -0.660) 26.332 24.043 ( -26.219 -1.836 0.165) 26.284 25.315 ( 28.702 2.643 0.148) 28.824 25.384 ( 27.701 -2.865 0.338) 27.851 26.009 ( -3.807 1.888 -2.229) 4.799 26.054 ( -3.183 -1.682 -1.863) 4.054 27.105 ( 5.541 0.626 0.064) 5.577 27.121 ( 4.959 -0.667 -0.156) 5.006 27.994 ( 0.250 0.853 0.471) 1.006 28.013 ( 0.971 -0.674 0.805) 1.430 28.195 ( 5.035 0.814 -0.127) 5.102 28.217 ( 6.854 -0.891 0.279) 6.917 30.787 ( -4.520 3.016 0.286) 5.442 30.886 ( -2.566 -5.330 0.007) 5.915 31.222 ( -4.849 5.341 0.559) 7.236 31.311 ( -2.191 -2.281 1.229) 3.393 31.551 ( -1.901 1.864 -2.102) 3.392 31.619 ( -3.758 -3.599 -2.321) 5.697 32.390 ( -3.533 6.671 -0.866) 7.598 32.549 ( -1.478 -6.076 -1.660) 6.470 36.046 ( -2.319 4.545 0.091) 5.103 36.174 ( -2.274 -5.732 1.664) 6.387 37.573 ( -9.000 12.174 2.273) 15.309 37.925 ( -7.512 -17.567 1.919) 19.203 38.722 ( -2.077 13.789 -3.184) 14.303 38.961 ( 0.141 -6.898 -5.582) 8.875 41.167 ( 4.885 0.779 -0.099) 4.948 41.208 ( 6.004 -2.948 0.423) 6.702 41.479 ( 4.148 5.766 1.230) 7.209 41.595 ( 6.019 -3.833 0.744) 7.175 41.745 ( -5.464 2.958 -2.469) 6.686 41.817 ( -5.372 -2.735 -2.592) 6.562 ======================= Grid point 95 (59/100) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -14.827 1.987 -3.130) 15.283 1.769 ( -12.399 -0.896 -4.113) 13.094 2.045 ( -9.971 0.348 2.924) 10.396 2.109 ( -7.969 -3.820 3.450) 9.486 2.295 ( -3.861 5.729 -1.395) 7.048 2.427 ( -1.428 -4.203 -2.357) 5.026 2.512 ( 2.263 0.741 2.939) 3.783 2.542 ( 2.840 -1.177 3.286) 4.500 2.909 ( -5.580 2.041 -0.253) 5.946 2.921 ( -3.192 0.942 -3.004) 4.483 3.216 ( -2.009 4.221 -11.453) 12.370 3.302 ( -3.097 -2.069 -5.215) 6.409 3.363 ( -3.725 2.158 -3.177) 5.350 3.465 ( -5.032 -5.259 -2.723) 7.771 3.992 ( -3.620 4.731 1.939) 6.265 4.091 ( -2.211 -2.634 -0.198) 3.445 4.132 ( 3.099 1.803 4.578) 5.815 4.169 ( 1.805 1.644 5.490) 6.008 4.201 ( 3.932 -3.068 7.478) 8.988 4.242 ( 3.449 -2.979 7.382) 8.675 5.159 ( 0.597 1.402 -7.769) 7.917 5.208 ( -2.202 -2.647 -7.634) 8.375 5.536 ( -14.450 1.539 -0.671) 14.547 5.566 ( -14.505 -0.838 -1.572) 14.614 6.036 ( 3.951 2.541 -2.241) 5.204 6.107 ( 3.489 -3.562 -3.551) 6.121 6.328 ( 11.589 5.178 -5.227) 13.728 6.441 ( 13.841 -4.449 -3.489) 14.951 7.118 ( -1.729 1.757 3.943) 4.650 7.129 ( 1.038 1.015 2.864) 3.210 7.700 ( -17.969 2.426 0.692) 18.145 7.789 ( -15.048 -5.115 0.855) 15.917 8.016 ( -10.404 3.084 3.670) 11.455 8.086 ( -11.369 -3.032 0.989) 11.808 8.598 ( 8.899 1.589 -0.747) 9.071 8.629 ( 6.928 -0.701 -1.754) 7.181 9.983 ( -22.786 0.861 -1.175) 22.833 10.008 ( -20.479 -1.144 -1.783) 20.589 10.464 ( -18.151 5.846 0.888) 19.090 10.603 ( -23.666 -5.235 -3.320) 24.464 11.088 ( 1.042 1.976 10.867) 11.094 11.146 ( 2.120 -2.689 10.282) 10.837 11.576 ( -17.846 4.399 -1.388) 18.432 11.687 ( -19.929 -4.491 -0.467) 20.434 12.308 ( -6.104 2.291 2.265) 6.902 12.363 ( -5.366 -2.120 1.795) 6.042 12.991 ( -5.708 1.516 -7.587) 9.615 13.047 ( -5.734 -2.921 -7.016) 9.521 13.240 ( 7.002 1.949 -1.417) 7.405 13.270 ( 6.349 -0.486 -1.911) 6.648 14.345 ( 4.930 0.960 -5.011) 7.095 14.374 ( 2.299 -1.491 -3.965) 4.820 14.440 ( -1.770 1.173 -2.058) 2.957 14.458 ( -3.576 -0.343 -1.068) 3.748 15.382 ( -18.073 4.125 2.904) 18.764 15.493 ( -14.612 -4.931 4.482) 16.060 15.704 ( 9.068 3.700 0.797) 9.826 15.781 ( 11.760 -2.657 0.681) 12.076 16.857 ( 2.097 1.754 6.838) 7.365 16.907 ( 1.497 -2.247 7.800) 8.254 17.847 ( 12.302 3.129 -0.813) 12.720 17.924 ( 12.539 -3.017 -0.621) 12.912 18.320 ( 5.977 1.551 -2.597) 6.699 18.362 ( 6.506 -1.795 -3.342) 7.531 19.831 ( 15.357 1.490 0.239) 15.431 19.858 ( 16.147 -0.237 0.405) 16.154 19.917 ( 15.858 -0.469 -0.116) 15.865 19.928 ( 15.558 -0.956 -1.102) 15.626 20.438 ( 4.290 0.337 0.435) 4.325 20.456 ( 2.378 -1.046 0.022) 2.598 21.069 ( -4.067 3.327 1.916) 5.594 21.167 ( -3.616 -4.899 1.431) 6.255 21.549 ( 0.453 8.422 0.404) 8.444 21.714 ( 0.057 -5.031 0.394) 5.047 21.954 ( 0.905 0.137 -0.666) 1.132 21.970 ( 2.223 -1.219 -0.298) 2.553 23.503 ( -24.214 2.482 -0.518) 24.346 23.556 ( -23.686 -1.770 -1.030) 23.774 25.862 ( 25.456 0.852 0.192) 25.471 25.886 ( 12.403 -1.055 -0.404) 12.455 25.969 ( 13.246 1.227 -0.913) 13.334 25.998 ( 1.451 -1.101 -2.139) 2.809 27.257 ( 9.082 0.134 0.980) 9.136 27.265 ( 10.956 -0.563 1.240) 11.040 27.999 ( -0.005 1.316 0.353) 1.362 28.030 ( 0.322 -1.169 0.676) 1.388 28.340 ( 10.119 2.579 -0.062) 10.443 28.401 ( 12.191 -2.297 0.533) 12.417 30.619 ( -14.319 4.141 -0.963) 14.937 30.750 ( -12.124 -7.023 -1.265) 14.068 31.119 ( -5.649 7.876 -1.816) 9.861 31.282 ( -2.310 -5.991 -0.207) 6.424 31.521 ( 0.369 0.547 1.255) 1.418 31.529 ( -3.676 0.100 -1.071) 3.830 32.293 ( -5.490 6.795 -0.613) 8.757 32.471 ( -5.401 -7.373 -2.397) 9.449 35.984 ( -4.735 4.728 0.623) 6.720 36.121 ( -4.607 -6.362 2.029) 8.113 37.325 ( -17.904 12.775 1.428) 22.041 37.698 ( -16.850 -19.050 -0.090) 25.433 38.606 ( -7.302 16.229 -8.139) 19.569 38.880 ( -4.474 -7.683 -10.267) 13.581 41.255 ( 5.272 1.388 -3.926) 6.718 41.313 ( 5.618 -3.806 -3.621) 7.691 41.605 ( 5.714 5.688 -2.525) 8.449 41.639 ( -2.000 1.605 -5.109) 5.717 41.759 ( 3.149 -0.037 9.689) 10.188 41.831 ( 12.440 -4.530 9.836) 16.493 ======================= Grid point 96 (60/100) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -12.826 2.017 7.349) 14.919 1.534 ( -11.045 -2.473 0.516) 11.330 1.815 ( -16.036 2.640 7.097) 17.733 1.937 ( -11.647 -5.324 4.994) 13.745 2.214 ( -3.367 8.207 -2.799) 9.302 2.404 ( -0.665 -6.499 -2.161) 6.882 2.584 ( 3.169 3.161 4.188) 6.130 2.638 ( 2.832 0.067 10.484) 10.860 2.789 ( -6.424 3.895 0.319) 7.520 2.844 ( -4.342 -1.082 -2.880) 5.322 3.128 ( -7.422 2.566 -2.662) 8.292 3.139 ( -7.335 2.275 -0.491) 7.695 3.318 ( -3.300 -1.399 0.526) 3.623 3.388 ( 0.504 -6.598 -6.446) 9.238 3.908 ( -4.209 5.977 -2.122) 7.612 4.022 ( -3.265 -3.467 -4.395) 6.480 4.168 ( -2.339 2.146 5.740) 6.559 4.208 ( -1.431 -0.378 4.082) 4.342 4.286 ( 1.009 1.050 6.079) 6.251 4.352 ( 3.498 -3.476 7.198) 8.725 5.099 ( -4.120 -0.047 -6.810) 7.960 5.125 ( -5.513 -2.532 -5.299) 8.055 5.236 ( -13.141 1.205 -4.285) 13.874 5.256 ( -14.537 -0.246 -5.715) 15.622 6.095 ( 1.788 1.796 -0.827) 2.666 6.156 ( 2.685 -3.303 -1.534) 4.524 6.429 ( -4.664 3.223 -2.621) 6.246 6.522 ( -12.340 -4.842 0.479) 13.265 7.157 ( -3.567 1.886 -4.045) 5.713 7.196 ( 2.725 -0.973 -0.842) 3.013 7.291 ( -13.650 6.118 3.369) 15.333 7.447 ( -14.268 -6.677 0.343) 15.757 7.723 ( -18.974 3.982 0.754) 19.402 7.792 ( -16.913 -1.913 0.457) 17.027 8.740 ( 4.408 1.138 -1.793) 4.893 8.752 ( 6.845 0.032 -1.227) 6.954 9.578 ( -16.740 2.848 -0.750) 16.997 9.655 ( -14.122 -3.214 -3.212) 14.835 10.048 ( -25.125 1.694 3.537) 25.429 10.084 ( -25.171 -1.112 2.333) 25.303 11.172 ( 2.729 1.892 7.473) 8.177 11.241 ( 3.121 -3.715 6.364) 8.003 11.368 ( -4.653 2.000 -0.121) 5.066 11.416 ( -8.627 -1.894 -0.414) 8.843 12.192 ( -6.193 2.406 0.320) 6.652 12.252 ( -6.268 -2.310 -0.043) 6.680 12.870 ( -3.837 1.995 -7.600) 8.745 12.932 ( -3.470 -3.043 -7.367) 8.694 13.397 ( 9.869 1.234 -0.911) 9.987 13.414 ( 9.243 -0.244 -0.710) 9.273 14.358 ( -0.731 0.476 -1.286) 1.554 14.372 ( -1.052 -0.551 -1.237) 1.715 14.433 ( 1.464 2.133 -3.171) 4.092 14.468 ( 4.557 -0.798 -5.121) 6.902 15.064 ( -14.742 4.829 -1.968) 15.637 15.202 ( -16.253 -6.201 1.120) 17.432 15.965 ( 16.937 4.385 0.276) 17.497 16.068 ( 17.427 -3.860 0.035) 17.849 16.926 ( 1.412 2.049 7.872) 8.256 16.986 ( 2.113 -2.740 10.071) 10.649 17.973 ( 2.331 3.333 -0.996) 4.188 18.050 ( 1.942 -2.714 -1.461) 3.642 18.392 ( 3.012 1.919 -1.190) 3.764 18.447 ( 4.245 -2.503 -1.544) 5.164 20.128 ( 10.115 0.417 -0.629) 10.143 20.128 ( 12.577 0.601 -0.381) 12.597 20.189 ( 12.706 1.185 -0.399) 12.768 20.233 ( 15.409 -2.072 0.524) 15.556 20.515 ( 3.809 0.806 0.808) 3.976 20.550 ( 6.640 -2.210 0.491) 7.015 20.977 ( -5.418 4.219 1.998) 7.151 21.090 ( -4.308 -4.870 1.216) 6.615 21.571 ( 1.136 7.445 0.961) 7.593 21.714 ( -0.569 -4.057 0.883) 4.191 21.974 ( 1.507 0.880 -1.023) 2.023 22.020 ( 2.852 -2.872 -0.651) 4.100 23.104 ( -17.260 4.033 -0.566) 17.734 23.183 ( -14.453 -2.341 -2.489) 14.851 25.911 ( 2.550 1.198 0.705) 2.904 25.951 ( 1.394 -2.008 -1.450) 2.842 26.400 ( 24.334 1.654 0.011) 24.390 26.433 ( 23.843 -1.004 0.261) 23.865 27.458 ( 11.348 1.830 1.511) 11.594 27.525 ( 15.245 -3.665 2.303) 15.847 27.991 ( -1.212 1.556 0.502) 2.035 28.027 ( -1.207 -1.300 0.796) 1.944 28.569 ( 14.184 4.759 -0.230) 14.963 28.671 ( 16.039 -3.494 0.347) 16.419 30.213 ( -27.732 6.504 -3.260) 28.671 30.418 ( -22.187 -10.809 -4.074) 25.014 30.959 ( -9.544 10.337 -8.507) 16.441 31.173 ( -6.637 -8.406 -6.913) 12.748 31.511 ( 1.801 6.637 3.335) 7.643 31.640 ( 9.337 -4.163 10.022) 14.317 32.214 ( -2.105 4.243 0.802) 4.804 32.349 ( -5.659 -6.584 -1.895) 8.886 35.865 ( -8.540 4.759 1.314) 9.864 36.007 ( -8.825 -6.912 2.415) 11.467 36.929 ( -23.977 12.300 0.002) 26.948 37.293 ( -25.135 -19.420 -4.250) 32.047 38.382 ( -9.915 20.073 -15.469) 27.212 38.711 ( -6.081 -8.780 -16.999) 20.076 41.326 ( 4.780 1.325 -7.073) 8.639 41.361 ( 2.443 -1.576 -9.821) 10.243 41.589 ( -1.142 2.494 -2.990) 4.058 41.656 ( 3.653 -2.929 2.765) 5.438 42.019 ( 15.040 9.041 17.508) 24.788 42.221 ( 21.075 -7.176 16.843) 27.917 ======================= Grid point 97 (61/100) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -11.292 -1.187 17.532) 20.887 1.355 ( -9.367 -3.653 7.292) 12.420 1.573 ( -11.635 8.210 11.977) 18.607 1.753 ( -9.405 -6.247 4.991) 12.345 2.152 ( -2.369 10.910 -0.467) 11.174 2.314 ( -11.713 -0.597 1.948) 11.889 2.629 ( -6.795 2.631 2.920) 7.849 2.644 ( -0.809 2.990 3.287) 4.517 2.683 ( -9.238 0.044 -1.545) 9.367 2.776 ( 0.469 -5.614 5.198) 7.665 2.940 ( -9.573 3.528 2.356) 10.471 3.046 ( -4.657 -2.381 7.585) 9.213 3.254 ( -4.206 1.486 3.646) 5.761 3.384 ( -1.703 -8.305 1.940) 8.697 3.833 ( -2.033 6.312 -3.926) 7.706 3.937 ( -3.555 -2.707 -4.389) 6.264 4.085 ( -9.004 2.811 2.457) 9.747 4.136 ( -7.333 -0.598 0.585) 7.380 4.273 ( -5.098 3.303 2.106) 6.429 4.405 ( -1.120 -6.934 2.300) 7.391 4.869 ( -13.999 0.449 -3.670) 14.479 4.900 ( -11.107 -1.971 -6.276) 12.909 5.035 ( -6.739 3.394 -5.595) 9.394 5.100 ( -4.509 -2.228 -5.612) 7.536 5.909 ( -20.389 0.399 0.940) 20.415 5.965 ( -26.419 -4.119 3.100) 26.917 6.243 ( -7.485 2.662 0.515) 7.961 6.308 ( -2.200 -3.289 0.405) 3.977 6.660 ( -26.876 7.794 -2.719) 28.115 6.831 ( -25.894 -6.496 -3.000) 26.864 7.425 ( -1.292 1.388 -2.706) 3.304 7.444 ( 1.376 0.468 -2.143) 2.590 7.622 ( 10.746 3.251 -1.790) 11.369 7.718 ( 16.755 -4.185 -0.745) 17.286 8.744 ( -1.833 4.502 -4.006) 6.299 8.830 ( 1.672 -2.015 -0.861) 2.757 9.353 ( -7.901 2.719 -0.617) 8.378 9.441 ( -7.606 -4.159 -3.886) 9.501 9.707 ( -12.155 2.674 8.776) 15.229 9.769 ( -11.370 -2.306 9.041) 14.708 11.252 ( 3.093 1.231 2.322) 4.059 11.284 ( -0.568 -0.478 -0.043) 0.743 11.329 ( -1.139 0.388 0.522) 1.312 11.359 ( 1.963 -2.504 1.228) 3.410 12.090 ( -4.553 2.058 0.142) 4.998 12.144 ( -4.905 -2.187 -0.697) 5.415 12.758 ( -4.315 2.060 -8.458) 9.716 12.819 ( -5.049 -2.923 -8.725) 10.496 13.592 ( 10.889 0.692 -0.874) 10.946 13.598 ( 10.076 0.159 0.067) 10.077 14.340 ( -1.102 0.951 -1.222) 1.901 14.351 ( -0.255 0.059 -1.119) 1.149 14.388 ( -6.666 4.054 -0.038) 7.802 14.481 ( -3.489 -3.252 -4.609) 6.633 14.877 ( -0.913 2.576 -6.868) 7.391 14.959 ( -6.269 -4.079 -3.052) 8.078 16.297 ( 16.797 3.797 0.242) 17.222 16.392 ( 15.881 -3.848 -0.459) 16.347 16.981 ( -0.161 3.061 9.716) 10.188 17.069 ( 0.943 -4.162 11.909) 12.650 17.967 ( -1.439 2.778 -0.842) 3.240 18.029 ( -1.785 -2.071 -2.515) 3.715 18.437 ( 2.231 2.661 0.150) 3.476 18.515 ( 3.190 -3.656 -0.064) 4.853 20.222 ( 0.101 1.031 -0.787) 1.301 20.248 ( 1.280 -0.240 -0.644) 1.453 20.314 ( -2.461 1.820 -0.184) 3.066 20.371 ( -1.714 -1.309 0.043) 2.157 20.592 ( 3.864 1.751 1.150) 4.395 20.658 ( 4.516 -4.010 0.148) 6.041 20.998 ( 8.268 3.553 0.440) 9.010 21.092 ( 5.594 -4.023 0.602) 6.917 21.580 ( -1.179 5.504 1.356) 5.790 21.692 ( -2.409 -3.332 0.796) 4.188 21.996 ( 1.291 1.402 -1.423) 2.379 22.056 ( 1.263 -3.459 -1.033) 3.825 22.861 ( -8.078 6.937 -1.733) 10.788 22.988 ( -5.351 -3.600 -3.379) 7.281 26.021 ( 6.751 0.173 1.795) 6.988 26.035 ( 9.010 -0.975 3.705) 9.791 26.776 ( 15.070 1.628 -0.021) 15.158 26.809 ( 15.237 -1.025 0.527) 15.280 27.680 ( 10.627 3.883 1.497) 11.413 27.824 ( 13.469 -8.176 0.940) 15.784 27.961 ( -1.407 1.181 1.189) 2.188 27.992 ( -2.640 -1.184 1.307) 3.175 28.863 ( 16.378 6.570 -0.647) 17.658 28.994 ( 17.027 -4.322 -0.450) 17.573 29.573 ( -35.756 7.855 -5.278) 36.987 29.830 ( -36.694 -14.423 -11.713) 41.130 30.721 ( -8.777 15.197 -11.057) 20.742 31.026 ( -3.961 -11.671 -9.338) 15.463 31.617 ( 6.057 13.395 6.073) 15.906 31.920 ( 12.384 -11.355 10.600) 19.866 32.241 ( 4.407 0.566 4.989) 6.680 32.275 ( -0.842 -2.622 1.749) 3.262 35.680 ( -11.170 4.614 1.606) 12.192 35.812 ( -12.598 -6.312 2.311) 14.279 36.446 ( -26.064 8.763 -1.816) 27.557 36.705 ( -33.267 -14.271 -9.575) 37.443 38.122 ( -7.734 24.266 -19.951) 32.353 38.517 ( -3.874 -10.195 -22.658) 25.146 41.336 ( 0.997 0.449 -10.326) 10.384 41.353 ( 1.970 -0.817 -9.562) 9.796 41.588 ( 1.749 7.094 1.336) 7.428 41.786 ( 6.628 -9.902 8.227) 14.479 42.449 ( 20.348 15.886 21.397) 33.530 42.766 ( 26.963 -10.534 20.873) 35.689 ======================= Grid point 98 (62/100) ======================= q-point: (-0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -15.431 5.059 17.089) 23.574 1.291 ( -8.148 -8.623 11.524) 16.539 1.459 ( -11.176 6.964 14.115) 19.304 1.646 ( -7.354 -8.383 6.263) 12.790 1.990 ( -16.576 14.005 9.304) 23.610 2.112 ( -4.050 4.759 6.957) 9.352 2.405 ( -11.902 3.023 -5.257) 13.358 2.467 ( -11.421 -1.003 -3.785) 12.073 2.635 ( -1.817 5.983 -1.048) 6.340 2.793 ( -1.550 -5.981 7.362) 9.611 2.837 ( -2.541 -1.640 4.577) 5.485 3.056 ( -3.823 -17.255 18.324) 25.459 3.168 ( -7.246 5.579 9.703) 13.333 3.310 ( -7.058 -5.722 8.545) 12.473 3.762 ( -4.615 5.198 -4.950) 8.533 3.835 ( -5.156 -1.082 -3.390) 6.265 3.891 ( -9.131 3.987 -0.909) 10.004 3.977 ( -6.227 -2.037 0.021) 6.552 4.150 ( -4.654 6.596 -4.762) 9.372 4.336 ( -2.213 -8.504 -9.226) 12.741 4.661 ( -5.682 2.630 -7.525) 9.789 4.716 ( -4.974 -1.996 -9.732) 11.110 4.913 ( -4.243 6.307 2.754) 8.085 5.038 ( 0.437 -4.543 4.799) 6.623 5.626 ( -6.504 2.639 1.734) 7.230 5.699 ( -4.845 -3.083 2.457) 6.246 5.929 ( -19.616 4.140 0.071) 20.048 6.008 ( -21.102 -1.892 -1.902) 21.272 6.514 ( 4.737 2.524 1.851) 5.678 6.613 ( 0.900 -4.495 0.846) 4.661 7.372 ( -4.336 -0.251 -5.544) 7.043 7.415 ( 0.386 -3.509 -4.856) 6.004 7.851 ( 10.530 8.984 -4.037) 14.418 8.059 ( 15.759 -7.631 -3.503) 17.856 8.699 ( 0.108 4.691 -1.473) 4.918 8.817 ( -1.597 -4.409 -0.569) 4.723 9.244 ( -3.485 2.531 -0.659) 4.358 9.322 ( -3.869 -3.326 -1.230) 5.249 9.631 ( -2.357 3.656 11.029) 11.856 9.695 ( -3.128 -1.700 10.902) 11.469 11.269 ( -0.237 0.810 -0.290) 0.892 11.288 ( -0.348 -0.923 -0.096) 0.991 11.338 ( 1.049 2.075 -0.877) 2.485 11.390 ( 0.545 -1.899 -2.126) 2.902 12.022 ( -2.930 1.080 -0.522) 3.166 12.057 ( -3.717 -1.594 -0.696) 4.104 12.632 ( -3.984 1.051 -9.456) 10.314 12.663 ( -6.100 -1.395 -9.522) 11.394 13.771 ( 7.605 1.059 -0.188) 7.681 13.780 ( 8.697 0.221 -0.784) 8.735 14.189 ( -10.988 3.019 -0.036) 11.395 14.275 ( -10.525 -3.518 -1.488) 11.196 14.336 ( -0.945 1.363 -1.070) 1.974 14.357 ( -0.687 -0.243 -1.515) 1.681 14.929 ( 8.046 1.438 -8.187) 11.569 14.975 ( 7.990 -2.371 -6.589) 10.624 16.552 ( 9.212 2.629 0.192) 9.582 16.619 ( 7.605 -2.723 -0.389) 8.087 17.007 ( -2.472 3.587 11.447) 12.248 17.120 ( -2.037 -5.820 11.898) 13.401 17.946 ( 0.420 2.267 -1.421) 2.708 18.002 ( 0.679 -2.204 -2.661) 3.521 18.478 ( 1.635 2.557 1.449) 3.363 18.551 ( 0.008 -3.364 0.966) 3.500 20.057 ( -12.958 4.795 0.329) 13.821 20.156 ( -10.032 -2.894 -1.768) 10.589 20.265 ( -0.174 1.205 -0.318) 1.258 20.310 ( -2.787 -2.252 -0.870) 3.687 20.678 ( 4.193 1.231 1.296) 4.558 20.722 ( 2.058 -2.818 0.196) 3.495 21.178 ( 8.105 2.413 -0.486) 8.470 21.237 ( 6.832 -2.371 0.134) 7.233 21.539 ( -3.301 4.102 1.659) 5.521 21.633 ( -3.579 -3.114 0.483) 4.769 22.007 ( 0.679 1.352 -1.572) 2.182 22.063 ( 0.180 -3.387 -0.812) 3.487 22.765 ( -1.668 9.086 -3.494) 9.877 22.922 ( -0.575 -4.357 -4.174) 6.061 26.214 ( 11.455 1.922 4.915) 12.613 26.279 ( 13.347 -3.440 6.385) 15.190 26.970 ( 6.106 1.937 -0.054) 6.406 27.004 ( 5.557 -0.779 0.427) 5.628 27.825 ( 2.892 3.359 0.184) 4.437 27.891 ( -1.360 -0.058 0.563) 1.473 27.949 ( -1.821 -0.187 2.061) 2.757 28.038 ( 0.224 -10.655 -1.121) 10.716 28.864 ( -26.190 1.284 -1.831) 26.286 28.909 ( -26.884 -2.847 -2.810) 27.180 29.263 ( 4.531 5.977 -8.301) 11.187 29.340 ( 12.299 -1.604 -3.068) 12.777 30.554 ( -4.132 17.474 -9.351) 20.245 30.939 ( -0.783 -15.376 -10.406) 18.583 31.754 ( 5.019 15.479 4.292) 16.828 32.054 ( 0.874 -8.483 0.055) 8.528 32.337 ( 3.485 2.643 6.509) 7.842 32.484 ( 12.809 -11.165 11.343) 20.430 35.495 ( -8.208 4.245 0.357) 9.247 35.586 ( -11.219 -3.444 1.091) 11.786 35.990 ( -18.723 2.764 -2.362) 19.073 36.062 ( -25.374 -3.283 -4.507) 25.980 37.933 ( -2.404 25.871 -19.058) 32.223 38.370 ( 0.149 -11.485 -24.288) 26.867 41.310 ( 0.849 -0.268 -10.828) 10.865 41.326 ( 0.412 -2.029 -7.875) 8.143 41.659 ( 3.888 11.169 3.886) 12.448 41.960 ( 6.489 -15.144 10.926) 19.769 42.947 ( 20.288 21.948 19.817) 35.862 43.392 ( 27.521 -15.589 17.703) 36.247 ======================= Grid point 111 (63/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -7.743 0.000 12.343) 14.570 1.277 ( -5.277 0.000 15.898) 16.751 1.608 ( 3.855 0.000 -0.963) 3.973 1.631 ( 5.472 0.000 2.129) 5.872 2.013 ( 3.452 0.000 4.216) 5.449 2.041 ( -1.101 0.000 -6.248) 6.344 2.259 ( 4.341 0.000 -3.323) 5.467 2.337 ( -8.361 0.000 -6.877) 10.826 2.621 ( 1.257 0.000 14.837) 14.890 2.999 ( -3.494 0.000 12.174) 12.665 3.171 ( 3.181 0.000 11.565) 11.995 3.225 ( 3.593 0.000 4.767) 5.970 3.389 ( 0.248 0.000 -1.321) 1.344 3.391 ( -3.670 0.000 5.730) 6.804 3.578 ( 4.709 0.000 -9.811) 10.882 3.633 ( -4.765 0.000 -10.993) 11.981 3.794 ( -0.167 0.000 1.066) 1.079 3.887 ( 2.685 0.000 3.644) 4.526 3.974 ( -2.320 0.000 -7.459) 7.811 4.215 ( 1.883 0.000 -4.700) 5.063 4.224 ( -4.529 0.000 -8.066) 9.251 4.422 ( -0.821 0.000 -4.028) 4.111 5.069 ( 4.447 0.000 12.799) 13.550 5.322 ( 5.386 0.000 1.046) 5.487 5.664 ( -3.024 0.000 1.132) 3.229 5.672 ( 3.139 0.000 5.795) 6.591 5.809 ( 3.490 0.000 -1.093) 3.657 5.823 ( 2.128 0.000 5.375) 5.781 6.768 ( 6.175 0.000 7.349) 9.599 6.804 ( 4.107 0.000 4.926) 6.414 7.061 ( -5.636 0.000 -9.069) 10.677 7.170 ( -8.079 0.000 -10.358) 13.136 7.766 ( -0.859 0.000 -0.888) 1.235 8.154 ( -1.298 0.000 -9.396) 9.485 8.715 ( 3.131 0.000 0.635) 3.195 8.858 ( -0.186 0.000 0.229) 0.295 9.210 ( 2.473 0.000 0.587) 2.541 9.356 ( 0.988 0.000 1.269) 1.608 9.795 ( 1.064 0.000 6.548) 6.634 9.863 ( 0.298 0.000 4.882) 4.891 11.189 ( -4.905 0.000 -3.053) 5.777 11.238 ( -6.184 0.000 -5.120) 8.029 11.274 ( -0.799 0.000 0.428) 0.906 11.284 ( 0.577 0.000 -0.294) 0.647 11.923 ( -0.040 0.000 -1.850) 1.850 12.043 ( 1.188 0.000 -0.057) 1.189 12.375 ( 0.528 0.000 -6.636) 6.657 12.388 ( -0.901 0.000 -6.350) 6.414 13.827 ( -0.928 0.000 1.005) 1.368 13.874 ( 2.411 0.000 -0.713) 2.514 14.015 ( -3.922 0.000 0.895) 4.022 14.137 ( -5.083 0.000 -0.259) 5.090 14.298 ( 0.312 0.000 0.202) 0.371 14.349 ( 0.181 0.000 -0.274) 0.329 14.948 ( 9.281 0.000 -3.714) 9.997 14.986 ( 4.323 0.000 -5.886) 7.303 16.628 ( 0.316 0.000 1.237) 1.277 16.675 ( -2.463 0.000 -0.692) 2.558 17.181 ( -1.274 0.000 8.765) 8.857 17.289 ( -4.880 0.000 3.243) 5.859 17.908 ( 0.042 0.000 -0.717) 0.719 18.000 ( 1.887 0.000 -2.071) 2.802 18.539 ( 0.844 0.000 1.165) 1.439 18.596 ( -1.203 0.000 2.156) 2.469 19.845 ( -1.842 0.000 0.784) 2.002 20.006 ( -0.552 0.000 -2.007) 2.082 20.245 ( -0.337 0.000 -0.474) 0.582 20.272 ( -0.784 0.000 0.056) 0.786 20.751 ( -1.909 0.000 0.750) 2.051 20.765 ( 2.141 0.000 0.570) 2.216 21.226 ( 0.150 0.000 -0.175) 0.231 21.322 ( -0.151 0.000 -0.005) 0.151 21.507 ( -1.185 0.000 1.884) 2.226 21.653 ( 0.396 0.000 0.750) 0.848 21.972 ( 0.550 0.000 -1.057) 1.191 22.131 ( -0.029 0.000 0.009) 0.030 22.570 ( -0.120 0.000 0.068) 0.137 22.890 ( 0.372 0.000 -2.638) 2.665 26.417 ( -0.348 0.000 1.953) 1.983 26.644 ( 5.583 0.000 -2.153) 5.983 26.979 ( -0.152 0.000 -0.202) 0.252 27.052 ( -0.243 0.000 0.225) 0.332 27.809 ( 0.233 0.000 -0.264) 0.352 27.857 ( -4.607 0.000 -1.545) 4.859 27.918 ( 0.616 0.000 1.249) 1.393 27.973 ( 0.030 0.000 1.313) 1.314 28.633 ( -0.072 0.000 0.363) 0.370 28.664 ( -0.328 0.000 0.408) 0.524 29.173 ( 0.466 0.000 0.492) 0.678 29.430 ( -0.877 0.000 -2.086) 2.263 30.260 ( -0.328 0.000 0.495) 0.594 31.027 ( -0.099 0.000 -5.397) 5.398 31.628 ( 1.924 0.000 1.698) 2.566 32.084 ( 0.442 0.000 -1.202) 1.281 32.436 ( -1.317 0.000 4.092) 4.299 32.855 ( -2.159 0.000 0.643) 2.252 35.329 ( -0.748 0.000 -0.020) 0.748 35.499 ( -0.461 0.000 0.735) 0.867 35.788 ( -1.055 0.000 -1.131) 1.547 35.915 ( 6.606 0.000 -0.705) 6.643 37.454 ( -0.618 0.000 0.354) 0.712 38.070 ( 2.712 0.000 -13.440) 13.711 41.097 ( -0.714 0.000 -5.170) 5.219 41.335 ( -0.192 0.000 -0.964) 0.983 41.567 ( 2.065 0.000 0.418) 2.107 42.659 ( 1.564 0.000 6.728) 6.907 43.129 ( 4.607 0.000 8.703) 9.847 44.091 ( 4.721 0.000 -0.219) 4.726 ======================= Grid point 112 (64/100) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 6.558 0.000 10.692) 12.543 1.452 ( 18.199 0.000 6.117) 19.200 1.767 ( 7.564 0.000 3.519) 8.343 1.800 ( 7.525 0.000 6.547) 9.975 2.101 ( 3.093 0.000 2.463) 3.954 2.183 ( 19.727 0.000 -7.405) 21.071 2.222 ( 2.242 0.000 -7.116) 7.461 2.436 ( 11.391 0.000 -0.409) 11.398 2.611 ( -4.404 0.000 4.535) 6.322 3.086 ( 3.265 0.000 15.133) 15.482 3.261 ( 1.659 0.000 8.118) 8.286 3.472 ( 12.555 0.000 0.215) 12.556 3.483 ( 1.916 0.000 -1.888) 2.690 3.483 ( 8.141 0.000 12.021) 14.518 3.533 ( 3.882 0.000 -7.186) 8.167 3.672 ( 14.768 0.000 -10.890) 18.349 3.844 ( -2.285 0.000 -5.091) 5.580 3.896 ( 5.745 0.000 1.535) 5.947 3.934 ( 3.383 0.000 -2.444) 4.173 4.239 ( 4.945 0.000 -6.227) 7.952 4.239 ( 8.269 0.000 -1.653) 8.432 4.494 ( 9.004 0.000 -1.359) 9.106 5.200 ( 3.705 0.000 6.149) 7.179 5.417 ( 5.327 0.000 -3.290) 6.261 5.805 ( 8.895 0.000 2.392) 9.211 5.851 ( 21.792 0.000 2.939) 21.989 5.927 ( 7.859 0.000 2.282) 8.184 6.046 ( 21.761 0.000 -3.120) 21.984 6.827 ( -5.200 0.000 0.144) 5.202 6.838 ( -5.211 0.000 -1.032) 5.312 6.966 ( 2.565 0.000 -0.623) 2.639 7.028 ( 0.757 0.000 0.345) 0.832 7.678 ( -7.584 0.000 0.188) 7.587 7.958 ( -13.900 0.000 -6.874) 15.506 8.695 ( -3.189 0.000 -2.021) 3.775 8.911 ( 3.588 0.000 0.018) 3.588 9.279 ( 4.359 0.000 -0.742) 4.422 9.426 ( 6.080 0.000 -1.005) 6.163 9.883 ( 6.767 0.000 3.804) 7.763 9.945 ( 5.697 0.000 3.362) 6.615 11.034 ( -10.280 0.000 1.846) 10.445 11.062 ( -10.409 0.000 0.688) 10.432 11.250 ( -0.871 0.000 0.063) 0.873 11.301 ( 0.361 0.000 0.099) 0.374 11.969 ( 5.421 0.000 -1.371) 5.591 12.106 ( 4.971 0.000 -1.082) 5.088 12.377 ( 1.700 0.000 -3.831) 4.191 12.392 ( 3.807 0.000 -6.160) 7.241 13.754 ( -6.660 0.000 0.239) 6.664 13.844 ( -4.957 0.000 -1.036) 5.064 14.000 ( 0.445 0.000 3.289) 3.319 14.061 ( -2.165 0.000 2.230) 3.108 14.313 ( 1.208 0.000 -0.425) 1.280 14.341 ( -0.675 0.000 -0.397) 0.783 15.061 ( 7.439 0.000 -9.806) 12.308 15.124 ( 11.486 0.000 -5.834) 12.882 16.545 ( -10.681 0.000 -0.282) 10.685 16.554 ( -9.257 0.000 2.164) 9.507 17.159 ( -6.034 0.000 8.136) 10.129 17.222 ( -3.749 0.000 7.085) 8.016 17.895 ( -0.015 0.000 -0.172) 0.172 18.028 ( 1.940 0.000 -2.937) 3.520 18.503 ( -3.416 0.000 -0.110) 3.417 18.606 ( -0.575 0.000 1.714) 1.808 19.964 ( 12.221 0.000 2.440) 12.462 20.080 ( 8.023 0.000 -1.417) 8.147 20.234 ( -0.439 0.000 -0.263) 0.512 20.267 ( -0.439 0.000 0.424) 0.610 20.703 ( -3.466 0.000 0.916) 3.585 20.768 ( -1.939 0.000 0.308) 1.963 21.143 ( -8.374 0.000 -0.290) 8.379 21.256 ( -6.495 0.000 0.120) 6.496 21.516 ( 0.700 0.000 2.123) 2.235 21.695 ( 3.300 0.000 0.473) 3.333 21.978 ( 0.556 0.000 -1.263) 1.380 22.123 ( -0.694 0.000 0.076) 0.698 22.603 ( 3.846 0.000 0.237) 3.853 22.892 ( 1.509 0.000 -2.393) 2.829 26.298 ( -10.205 0.000 1.155) 10.270 26.583 ( -8.844 0.000 -4.080) 9.740 26.928 ( -5.640 0.000 0.017) 5.640 27.014 ( -4.754 0.000 0.416) 4.772 27.833 ( -1.063 0.000 0.044) 1.064 27.905 ( 2.433 0.000 0.323) 2.454 27.937 ( 1.068 0.000 0.310) 1.112 27.999 ( 2.014 0.000 0.898) 2.205 28.786 ( 18.073 0.000 0.331) 18.076 28.855 ( 23.515 0.000 -1.687) 23.575 29.059 ( -11.700 0.000 -0.019) 11.700 29.264 ( -14.561 0.000 -0.707) 14.578 30.301 ( 4.320 0.000 0.597) 4.361 31.013 ( 1.417 0.000 -3.835) 4.088 31.637 ( -1.332 0.000 -0.363) 1.380 32.105 ( 2.154 0.000 -1.237) 2.484 32.385 ( -5.736 0.000 4.001) 6.993 32.733 ( -10.857 0.000 2.961) 11.254 35.432 ( 10.607 0.000 0.635) 10.626 35.635 ( 13.099 0.000 1.467) 13.181 35.879 ( 11.837 0.000 -0.450) 11.846 36.187 ( 21.484 0.000 -6.915) 22.569 37.488 ( 4.167 0.000 0.820) 4.247 38.076 ( 4.438 0.000 -12.622) 13.380 41.054 ( -1.612 0.000 -3.085) 3.481 41.309 ( -2.114 0.000 -0.403) 2.152 41.588 ( 0.334 0.000 -1.385) 1.424 42.625 ( -7.576 0.000 3.629) 8.400 43.143 ( -5.751 0.000 2.738) 6.370 43.977 ( -14.929 0.000 -2.801) 15.189 ======================= Grid point 113 (65/100) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 9.496 0.000 2.399) 9.794 1.719 ( 10.029 0.000 -1.754) 10.181 1.920 ( 7.227 0.000 -0.045) 7.227 1.952 ( 5.727 0.000 9.732) 11.292 2.247 ( 10.087 0.000 5.458) 11.469 2.331 ( 11.874 0.000 -1.325) 11.948 2.474 ( 4.728 0.000 0.280) 4.736 2.593 ( 7.189 0.000 -3.691) 8.081 2.594 ( 4.743 0.000 1.867) 5.098 3.219 ( 4.702 0.000 9.172) 10.307 3.287 ( -0.872 0.000 -0.265) 0.911 3.428 ( -1.552 0.000 -8.833) 8.969 3.489 ( -7.313 0.000 3.548) 8.128 3.558 ( -3.483 0.000 0.042) 3.483 3.649 ( 6.370 0.000 -2.142) 6.721 3.828 ( -6.023 0.000 2.731) 6.614 3.893 ( 8.777 0.000 5.062) 10.133 4.087 ( 10.623 0.000 5.415) 11.923 4.120 ( 15.330 0.000 -7.445) 17.043 4.458 ( 19.560 0.000 -8.048) 21.151 4.471 ( 15.657 0.000 -0.241) 15.659 4.718 ( 14.254 0.000 1.404) 14.323 5.261 ( 1.187 0.000 0.416) 1.258 5.460 ( 0.765 0.000 -7.232) 7.273 6.053 ( 17.317 0.000 -1.538) 17.385 6.185 ( 17.357 0.000 -1.057) 17.389 6.399 ( 25.448 0.000 2.493) 25.570 6.492 ( 17.637 0.000 -5.505) 18.476 6.698 ( -1.653 0.000 -8.215) 8.380 6.761 ( 10.350 0.000 0.961) 10.395 7.124 ( 3.064 0.000 6.740) 7.404 7.131 ( 15.618 0.000 2.615) 15.836 7.516 ( -7.303 0.000 -2.198) 7.626 7.668 ( -10.166 0.000 -0.668) 10.188 8.626 ( -2.404 0.000 -2.585) 3.530 8.934 ( -1.445 0.000 -1.089) 1.809 9.379 ( 7.526 0.000 -1.191) 7.620 9.557 ( 8.769 0.000 -3.981) 9.631 10.086 ( 10.509 0.000 0.559) 10.524 10.125 ( 15.905 0.000 0.907) 15.931 10.870 ( -8.916 0.000 9.189) 12.804 10.897 ( -7.950 0.000 9.616) 12.477 11.259 ( 2.262 0.000 -0.085) 2.264 11.299 ( -0.372 0.000 0.376) 0.529 12.098 ( 8.341 0.000 -0.897) 8.389 12.199 ( 5.416 0.000 -2.001) 5.774 12.400 ( 1.957 0.000 -1.491) 2.460 12.440 ( 4.246 0.000 -5.379) 6.853 13.598 ( -9.387 0.000 -0.678) 9.412 13.700 ( -9.000 0.000 -1.328) 9.098 14.016 ( 0.525 0.000 3.712) 3.749 14.112 ( 4.426 0.000 1.956) 4.839 14.317 ( -0.231 0.000 -1.106) 1.130 14.349 ( 1.824 0.000 -0.177) 1.832 15.177 ( 10.312 0.000 -10.946) 15.038 15.325 ( 12.872 0.000 -5.809) 14.122 16.274 ( -17.260 0.000 -0.301) 17.263 16.321 ( -15.881 0.000 2.640) 16.099 17.067 ( -6.897 0.000 7.984) 10.550 17.187 ( -4.754 0.000 9.267) 10.415 17.930 ( 3.229 0.000 0.418) 3.255 18.040 ( 0.699 0.000 -2.894) 2.977 18.425 ( -4.508 0.000 -1.334) 4.701 18.560 ( -4.924 0.000 0.154) 4.926 20.195 ( 3.098 0.000 0.406) 3.125 20.217 ( -1.466 0.000 -0.581) 1.577 20.235 ( 9.225 0.000 2.112) 9.464 20.241 ( -3.021 0.000 0.256) 3.032 20.628 ( -4.864 0.000 0.666) 4.910 20.708 ( -4.460 0.000 0.638) 4.505 20.951 ( -9.559 0.000 0.007) 9.559 21.128 ( -4.661 0.000 -0.049) 4.661 21.531 ( -0.584 0.000 2.193) 2.269 21.761 ( 3.074 0.000 0.301) 3.089 21.975 ( -0.368 0.000 -1.199) 1.254 22.108 ( -1.146 0.000 -0.016) 1.146 22.734 ( 10.243 0.000 0.819) 10.275 22.947 ( 6.292 0.000 -2.358) 6.719 26.126 ( -7.252 0.000 0.066) 7.253 26.348 ( -12.495 0.000 -3.853) 13.076 26.742 ( -14.771 0.000 0.217) 14.772 26.836 ( -15.050 0.000 0.374) 15.055 27.718 ( -9.607 0.000 -0.579) 9.624 27.826 ( -10.379 0.000 2.405) 10.654 27.964 ( 1.660 0.000 -0.186) 1.671 28.045 ( 2.199 0.000 0.440) 2.243 28.784 ( -15.668 0.000 -0.898) 15.694 28.952 ( -17.093 0.000 1.309) 17.143 29.327 ( 35.531 0.000 0.293) 35.532 29.459 ( 37.781 0.000 -2.719) 37.878 30.429 ( 9.125 0.000 0.590) 9.144 31.064 ( 5.957 0.000 -2.664) 6.526 31.579 ( -3.963 0.000 -2.185) 4.526 32.149 ( 3.092 0.000 -0.922) 3.227 32.280 ( -6.597 0.000 3.249) 7.354 32.487 ( -15.928 0.000 1.515) 16.000 35.672 ( 12.989 0.000 0.254) 12.991 35.936 ( 15.440 0.000 2.998) 15.729 36.213 ( 22.397 0.000 0.963) 22.418 36.616 ( 27.084 0.000 -7.455) 28.091 37.635 ( 11.054 0.000 2.480) 11.329 38.127 ( 7.455 0.000 -12.050) 14.170 41.012 ( -1.742 0.000 -1.184) 2.106 41.255 ( -3.462 0.000 -0.019) 3.462 41.571 ( -0.936 0.000 -2.344) 2.524 42.426 ( -14.059 0.000 0.899) 14.088 42.962 ( -12.919 0.000 -1.678) 13.028 43.563 ( -25.769 0.000 -3.346) 25.986 ======================= Grid point 114 (66/100) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 10.247 0.000 -1.897) 10.421 1.877 ( 8.398 0.000 -3.272) 9.013 2.048 ( 6.004 0.000 0.553) 6.029 2.117 ( 7.828 0.000 6.991) 10.495 2.382 ( 5.060 0.000 -2.891) 5.828 2.455 ( -2.245 0.000 0.716) 2.356 2.598 ( 2.513 0.000 5.885) 6.399 2.742 ( 16.649 0.000 5.428) 17.512 2.747 ( 7.466 0.000 -4.495) 8.714 3.259 ( -0.249 0.000 -2.105) 2.119 3.319 ( -6.675 0.000 1.797) 6.913 3.330 ( -2.192 0.000 -9.164) 9.423 3.350 ( 1.253 0.000 1.563) 2.003 3.533 ( -0.416 0.000 7.025) 7.037 3.592 ( -11.386 0.000 -1.360) 11.467 3.738 ( 0.006 0.000 -5.018) 5.018 4.096 ( 8.366 0.000 5.984) 10.286 4.261 ( 3.148 0.000 -4.987) 5.897 4.292 ( 7.019 0.000 6.624) 9.651 4.631 ( 1.226 0.000 -7.027) 7.133 4.822 ( 21.383 0.000 0.836) 21.400 5.034 ( 17.552 0.000 3.934) 17.987 5.245 ( -1.729 0.000 -4.297) 4.632 5.389 ( -2.836 0.000 -10.191) 10.578 6.249 ( -3.017 0.000 0.218) 3.024 6.377 ( 5.297 0.000 -3.539) 6.370 6.393 ( -7.568 0.000 -7.749) 10.831 6.710 ( -2.203 0.000 -9.095) 9.358 6.749 ( 7.629 0.000 5.242) 9.256 7.075 ( -5.330 0.000 4.542) 7.002 7.282 ( 27.736 0.000 2.509) 27.849 7.600 ( 19.426 0.000 -4.266) 19.889 7.633 ( 31.934 0.000 1.584) 31.973 7.731 ( 14.808 0.000 2.105) 14.957 8.581 ( -1.950 0.000 -1.300) 2.343 8.841 ( -7.572 0.000 -1.582) 7.735 9.584 ( 15.529 0.000 -1.989) 15.655 9.732 ( 13.187 0.000 -5.295) 14.210 10.320 ( 15.268 0.000 -0.673) 15.283 10.512 ( 23.681 0.000 -4.598) 24.123 10.826 ( -1.377 0.000 16.290) 16.348 10.878 ( -1.039 0.000 17.392) 17.423 11.304 ( 2.886 0.000 -0.093) 2.887 11.374 ( 10.118 0.000 0.929) 10.161 12.235 ( 4.740 0.000 -0.290) 4.749 12.309 ( 7.930 0.000 0.052) 7.931 12.447 ( 4.843 0.000 -1.621) 5.107 12.522 ( 7.787 0.000 -5.445) 9.502 13.413 ( -9.287 0.000 -1.138) 9.357 13.515 ( -9.395 0.000 -1.968) 9.599 14.058 ( 1.836 0.000 2.069) 2.766 14.186 ( 2.250 0.000 0.161) 2.256 14.326 ( 2.096 0.000 -0.765) 2.231 14.397 ( 3.551 0.000 -0.427) 3.576 15.353 ( 13.343 0.000 -8.778) 15.972 15.557 ( 14.026 0.000 -3.763) 14.522 15.929 ( -18.027 0.000 -0.310) 18.029 16.017 ( -16.734 0.000 2.654) 16.943 16.987 ( -5.345 0.000 8.062) 9.673 17.128 ( -5.812 0.000 9.018) 10.729 17.966 ( -1.493 0.000 -1.480) 2.102 18.019 ( -2.100 0.000 -0.167) 2.107 18.319 ( -6.094 0.000 -1.664) 6.317 18.423 ( -9.154 0.000 -1.181) 9.230 20.079 ( -13.404 0.000 -0.126) 13.404 20.129 ( -9.216 0.000 -0.230) 9.219 20.160 ( -4.698 0.000 -1.139) 4.835 20.205 ( -14.178 0.000 1.662) 14.275 20.543 ( -4.012 0.000 0.303) 4.023 20.602 ( -7.116 0.000 0.614) 7.143 20.909 ( 4.700 0.000 1.692) 4.996 21.148 ( 5.937 0.000 -0.359) 5.948 21.509 ( -2.599 0.000 1.744) 3.130 21.804 ( 1.297 0.000 -0.048) 1.298 21.956 ( -0.819 0.000 -0.849) 1.180 22.070 ( -2.936 0.000 -0.064) 2.937 23.010 ( 18.379 0.000 1.717) 18.459 23.137 ( 15.815 0.000 -2.385) 15.994 26.041 ( -1.667 0.000 -1.014) 1.952 26.129 ( -7.839 0.000 -3.590) 8.623 26.372 ( -24.169 0.000 0.253) 24.170 26.457 ( -24.435 0.000 0.234) 24.436 27.514 ( -11.096 0.000 -0.918) 11.134 27.594 ( -14.091 0.000 1.570) 14.178 27.988 ( 0.696 0.000 -0.122) 0.707 28.075 ( 0.639 0.000 0.238) 0.682 28.505 ( -12.943 0.000 -0.820) 12.969 28.658 ( -14.883 0.000 1.808) 14.992 29.994 ( 32.367 0.000 0.699) 32.375 30.138 ( 32.685 0.000 0.465) 32.689 30.649 ( 13.510 0.000 0.626) 13.525 31.212 ( 10.646 0.000 -2.113) 10.854 31.485 ( -4.146 0.000 -2.910) 5.065 32.142 ( -13.643 0.000 -0.976) 13.678 32.206 ( -2.070 0.000 -2.038) 2.905 32.236 ( 0.428 0.000 3.315) 3.342 35.880 ( 8.530 0.000 -0.379) 8.538 36.182 ( 8.586 0.000 2.931) 9.073 36.678 ( 24.531 0.000 2.287) 24.637 37.119 ( 28.499 0.000 -3.479) 28.711 37.925 ( 16.639 0.000 5.654) 17.573 38.252 ( 11.794 0.000 -11.432) 16.426 40.984 ( -0.882 0.000 0.609) 1.072 41.185 ( -3.805 0.000 0.251) 3.813 41.541 ( -0.932 0.000 -2.333) 2.512 42.132 ( -16.338 0.000 -0.991) 16.368 42.673 ( -15.399 0.000 -4.416) 16.020 43.030 ( -27.637 0.000 -4.428) 27.989 ======================= Grid point 115 (67/100) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 10.435 0.000 -3.283) 10.939 2.001 ( 6.630 0.000 -4.822) 8.198 2.139 ( 3.133 0.000 1.348) 3.411 2.304 ( 8.116 0.000 4.841) 9.450 2.401 ( -1.966 0.000 -2.839) 3.454 2.434 ( 0.220 0.000 0.277) 0.353 2.592 ( -3.493 0.000 2.007) 4.029 2.823 ( 2.507 0.000 -3.736) 4.499 2.996 ( 6.541 0.000 -1.936) 6.822 3.136 ( -9.322 0.000 -5.292) 10.719 3.290 ( 4.949 0.000 -6.259) 7.979 3.300 ( -7.532 0.000 -1.468) 7.673 3.406 ( 11.810 0.000 10.992) 16.134 3.474 ( -2.024 0.000 -0.678) 2.134 3.604 ( 3.944 0.000 8.952) 9.782 3.666 ( -2.639 0.000 -11.749) 12.041 4.239 ( -2.213 0.000 -2.038) 3.008 4.243 ( 4.310 0.000 4.613) 6.313 4.396 ( 1.207 0.000 4.591) 4.747 4.502 ( -9.588 0.000 -5.042) 10.833 5.169 ( -3.598 0.000 -6.699) 7.604 5.259 ( 22.928 0.000 2.853) 23.105 5.295 ( -1.528 0.000 -9.115) 9.243 5.388 ( 16.878 0.000 4.533) 17.477 6.091 ( -10.812 0.000 -1.135) 10.872 6.222 ( -6.067 0.000 -7.041) 9.295 6.302 ( -8.696 0.000 -6.471) 10.839 6.479 ( -12.862 0.000 -5.997) 14.192 6.878 ( 5.195 0.000 4.772) 7.054 7.092 ( 2.557 0.000 4.548) 5.218 7.709 ( 16.463 0.000 2.579) 16.664 7.970 ( 16.394 0.000 -4.858) 17.099 8.034 ( 12.342 0.000 2.998) 12.701 8.131 ( 18.530 0.000 0.625) 18.541 8.501 ( -7.338 0.000 -0.682) 7.370 8.653 ( -10.558 0.000 -1.020) 10.607 9.920 ( 19.246 0.000 -0.875) 19.266 10.034 ( 19.954 0.000 -3.031) 20.183 10.588 ( 9.885 0.000 -0.346) 9.891 10.874 ( 15.753 0.000 -7.208) 17.323 10.956 ( 5.534 0.000 16.495) 17.398 10.996 ( 3.806 0.000 17.397) 17.808 11.472 ( 17.525 0.000 -1.777) 17.615 11.692 ( 21.853 0.000 1.381) 21.897 12.302 ( 2.577 0.000 4.374) 5.077 12.434 ( 3.339 0.000 4.919) 5.945 12.633 ( 16.908 0.000 -6.203) 18.010 12.697 ( 14.157 0.000 -7.779) 16.153 13.255 ( -6.522 0.000 -0.947) 6.591 13.337 ( -8.191 0.000 -2.715) 8.629 14.086 ( 0.474 0.000 -0.236) 0.530 14.192 ( -0.956 0.000 -1.759) 2.002 14.399 ( 5.823 0.000 -0.251) 5.829 14.485 ( 6.223 0.000 -0.586) 6.250 15.594 ( 15.063 0.000 -3.798) 15.534 15.637 ( -11.644 0.000 -0.128) 11.645 15.752 ( -11.739 0.000 2.201) 11.943 15.800 ( 12.167 0.000 -0.391) 12.174 16.950 ( -2.390 0.000 7.525) 7.896 17.067 ( -4.391 0.000 7.834) 8.981 17.818 ( -13.057 0.000 -1.279) 13.120 17.916 ( -10.830 0.000 0.504) 10.842 18.175 ( -8.579 0.000 -1.410) 8.694 18.213 ( -11.863 0.000 -2.319) 12.088 19.799 ( -13.761 0.000 -0.322) 13.765 19.887 ( -16.285 0.000 1.075) 16.320 19.902 ( -13.713 0.000 -0.809) 13.737 20.007 ( -11.202 0.000 -2.136) 11.404 20.452 ( -6.206 0.000 -0.194) 6.209 20.496 ( -2.864 0.000 0.218) 2.872 21.020 ( 4.364 0.000 1.732) 4.696 21.269 ( 5.572 0.000 -0.279) 5.579 21.463 ( -2.612 0.000 0.963) 2.784 21.809 ( -0.438 0.000 -0.347) 0.559 21.943 ( -0.247 0.000 -0.405) 0.474 22.007 ( -3.190 0.000 -0.185) 3.195 23.421 ( 24.251 0.000 0.821) 24.265 23.531 ( 25.975 0.000 -0.653) 25.983 25.862 ( -29.128 0.000 0.003) 29.128 25.952 ( -28.512 0.000 0.373) 28.515 26.014 ( -0.733 0.000 -3.377) 3.456 26.059 ( 1.558 0.000 -1.415) 2.105 27.301 ( -10.892 0.000 -0.996) 10.937 27.346 ( -11.793 0.000 0.040) 11.793 27.990 ( -0.237 0.000 0.042) 0.240 28.072 ( -0.918 0.000 0.240) 0.949 28.296 ( -8.897 0.000 -0.329) 8.903 28.409 ( -12.086 0.000 1.270) 12.152 30.492 ( 19.597 0.000 0.609) 19.606 30.634 ( 18.410 0.000 2.579) 18.590 30.917 ( 13.684 0.000 0.674) 13.701 31.415 ( -1.693 0.000 -2.206) 2.781 31.420 ( 11.499 0.000 -1.811) 11.641 31.847 ( -13.385 0.000 -3.791) 13.912 32.205 ( 2.541 0.000 0.684) 2.632 32.341 ( 6.742 0.000 1.316) 6.870 35.987 ( 3.443 0.000 -0.762) 3.526 36.293 ( 2.523 0.000 2.069) 3.263 37.112 ( 19.503 0.000 2.346) 19.644 37.627 ( 24.985 0.000 1.160) 25.012 38.249 ( 12.877 0.000 6.135) 14.264 38.467 ( 16.062 0.000 -8.781) 18.306 40.991 ( 1.058 0.000 2.269) 2.503 41.122 ( -2.831 0.000 0.522) 2.878 41.520 ( -0.193 0.000 -1.606) 1.617 41.826 ( -14.866 0.000 -1.868) 14.983 42.362 ( -14.876 0.000 -5.273) 15.783 42.519 ( -23.145 0.000 -5.778) 23.855 ======================= Grid point 116 (68/100) ======================= q-point: ( 0.42 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 6.524 0.000 -4.262) 7.792 2.073 ( 3.400 0.000 -6.087) 6.972 2.186 ( 1.840 0.000 0.665) 1.957 2.306 ( -5.732 0.000 -2.196) 6.138 2.396 ( -0.384 0.000 4.056) 4.074 2.492 ( -6.249 0.000 -2.495) 6.729 2.507 ( 6.338 0.000 0.244) 6.342 2.782 ( -6.527 0.000 -0.105) 6.528 2.956 ( -3.905 0.000 -9.173) 9.970 3.081 ( 3.705 0.000 1.616) 4.042 3.202 ( -3.348 0.000 -4.475) 5.589 3.335 ( -6.479 0.000 -12.126) 13.749 3.393 ( 6.950 0.000 -2.624) 7.429 3.593 ( -1.066 0.000 -8.780) 8.845 3.699 ( 10.438 0.000 12.404) 16.212 3.773 ( 9.374 0.000 10.490) 14.068 4.194 ( -1.381 0.000 0.350) 1.425 4.295 ( -0.353 0.000 0.907) 0.974 4.311 ( -8.214 0.000 1.974) 8.448 4.389 ( -3.322 0.000 2.714) 4.290 5.052 ( -4.469 0.000 -7.811) 8.999 5.247 ( -0.090 0.000 -6.843) 6.844 5.645 ( 13.833 0.000 3.312) 14.224 5.677 ( 11.497 0.000 3.016) 11.886 5.883 ( -8.995 0.000 -2.081) 9.233 6.096 ( -8.309 0.000 -6.293) 10.423 6.129 ( 0.399 0.000 -6.026) 6.039 6.262 ( -6.780 0.000 -5.167) 8.525 7.020 ( 7.537 0.000 4.483) 8.770 7.162 ( 2.133 0.000 4.040) 4.568 7.925 ( 4.754 0.000 2.239) 5.255 8.155 ( 5.460 0.000 0.761) 5.513 8.180 ( 3.506 0.000 -0.327) 3.521 8.285 ( -10.293 0.000 0.195) 10.295 8.367 ( 3.821 0.000 0.571) 3.864 8.490 ( -4.426 0.000 -1.871) 4.805 10.235 ( 12.450 0.000 2.506) 12.700 10.365 ( 13.694 0.000 0.966) 13.728 10.663 ( -0.164 0.000 0.293) 0.336 11.025 ( 4.794 0.000 -6.127) 7.780 11.118 ( 3.727 0.000 9.230) 9.954 11.145 ( 3.908 0.000 11.670) 12.307 11.873 ( 20.527 0.000 -2.922) 20.734 12.089 ( 17.005 0.000 0.421) 17.011 12.382 ( 2.403 0.000 8.407) 8.743 12.504 ( 1.648 0.000 5.481) 5.723 12.948 ( 15.061 0.000 -9.585) 17.852 12.962 ( 18.603 0.000 -7.545) 20.075 13.164 ( -2.990 0.000 -0.550) 3.040 13.187 ( -5.869 0.000 -2.910) 6.551 14.083 ( 0.494 0.000 -2.214) 2.269 14.150 ( -1.796 0.000 -2.760) 3.292 14.517 ( 5.511 0.000 0.360) 5.523 14.611 ( 6.071 0.000 -0.411) 6.085 15.524 ( -0.279 0.000 -0.033) 0.281 15.627 ( -2.035 0.000 1.244) 2.385 15.852 ( 11.323 0.000 2.172) 11.529 15.989 ( 6.472 0.000 3.822) 7.516 16.960 ( -1.129 0.000 7.660) 7.743 17.047 ( -1.532 0.000 6.543) 6.720 17.506 ( -17.199 0.000 -0.021) 17.199 17.627 ( -17.249 0.000 -0.024) 17.249 17.981 ( -8.933 0.000 -2.754) 9.348 18.004 ( -7.652 0.000 -4.429) 8.841 19.606 ( -6.349 0.000 -0.446) 6.365 19.654 ( -10.762 0.000 -1.249) 10.835 19.674 ( -6.508 0.000 0.724) 6.548 19.749 ( -12.867 0.000 -2.851) 13.179 20.365 ( -2.819 0.000 -0.086) 2.821 20.457 ( -1.453 0.000 -0.337) 1.491 21.078 ( 1.390 0.000 1.231) 1.857 21.338 ( 1.997 0.000 -0.254) 2.013 21.427 ( -1.515 0.000 0.492) 1.592 21.795 ( -0.730 0.000 -0.094) 0.736 21.940 ( 0.023 0.000 -0.201) 0.202 21.959 ( -1.730 0.000 -0.398) 1.775 23.920 ( 27.502 0.000 -0.012) 27.502 24.050 ( 27.145 0.000 0.594) 27.151 25.307 ( -28.492 0.000 -0.485) 28.496 25.415 ( -27.705 0.000 0.654) 27.713 26.011 ( 1.348 0.000 -2.749) 3.062 26.093 ( 1.882 0.000 -1.594) 2.466 27.116 ( -7.387 0.000 -0.635) 7.414 27.165 ( -7.047 0.000 -0.757) 7.087 27.987 ( -0.080 0.000 0.310) 0.320 28.047 ( -1.769 0.000 0.427) 1.820 28.171 ( -4.178 0.000 -0.008) 4.178 28.228 ( -7.115 0.000 0.414) 7.127 30.742 ( 7.336 0.000 0.468) 7.351 30.868 ( 6.652 0.000 1.912) 6.921 31.135 ( 8.367 0.000 0.647) 8.392 31.393 ( -0.559 0.000 -0.646) 0.854 31.598 ( 7.670 0.000 -1.695) 7.855 31.632 ( -7.217 0.000 -3.838) 8.175 32.282 ( 4.372 0.000 0.340) 4.385 32.478 ( 6.588 0.000 1.037) 6.669 36.018 ( 0.608 0.000 -0.724) 0.945 36.319 ( -0.148 0.000 1.622) 1.628 37.412 ( 10.860 0.000 1.963) 11.036 38.036 ( 16.708 0.000 2.704) 16.925 38.442 ( 5.859 0.000 2.376) 6.323 38.731 ( 13.466 0.000 -4.248) 14.120 41.049 ( 3.734 0.000 3.374) 5.033 41.091 ( -0.626 0.000 0.778) 0.999 41.520 ( 0.777 0.000 -0.534) 0.943 41.573 ( -10.661 0.000 -1.670) 10.791 42.061 ( -14.654 0.000 -3.973) 15.183 42.141 ( -13.260 0.000 -6.690) 14.852 ======================= Grid point 117 (69/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -3.095 0.000 -6.127) 6.864 2.084 ( -3.219 0.000 -4.299) 5.371 2.210 ( -2.812 0.000 0.679) 2.893 2.232 ( 2.138 0.000 0.588) 2.217 2.381 ( -2.368 0.000 -3.938) 4.595 2.393 ( -2.258 0.000 6.312) 6.704 2.589 ( 1.441 0.000 -0.279) 1.468 2.637 ( -6.073 0.000 0.279) 6.079 2.894 ( -0.905 0.000 -5.316) 5.392 3.086 ( -2.082 0.000 -11.831) 12.013 3.129 ( -0.548 0.000 2.628) 2.685 3.195 ( -3.334 0.000 -13.695) 14.095 3.478 ( 1.814 0.000 -0.653) 1.928 3.548 ( 0.258 0.000 -2.963) 2.974 3.915 ( 7.500 0.000 10.996) 13.310 4.007 ( 8.565 0.000 9.204) 12.573 4.207 ( -2.563 0.000 7.094) 7.543 4.226 ( 1.150 0.000 1.269) 1.713 4.236 ( -4.600 0.000 -3.798) 5.965 4.323 ( -4.177 0.000 1.975) 4.621 4.962 ( -0.590 0.000 -7.158) 7.182 5.215 ( -0.225 0.000 -5.842) 5.846 5.777 ( 1.277 0.000 -0.023) 1.277 5.785 ( 0.543 0.000 -2.175) 2.242 5.820 ( 1.725 0.000 2.261) 2.844 5.959 ( -3.396 0.000 -3.988) 5.238 6.161 ( 2.799 0.000 -5.330) 6.020 6.177 ( -0.093 0.000 -3.208) 3.209 7.159 ( 2.982 0.000 3.555) 4.640 7.200 ( 0.019 0.000 3.120) 3.120 7.923 ( -1.941 0.000 -1.548) 2.482 8.148 ( -4.081 0.000 7.348) 8.405 8.177 ( -2.554 0.000 2.427) 3.524 8.241 ( 2.815 0.000 -1.226) 3.070 8.375 ( -0.652 0.000 0.233) 0.692 8.492 ( 2.506 0.000 -3.768) 4.526 10.385 ( 1.475 0.000 2.642) 3.026 10.516 ( 0.796 0.000 1.896) 2.056 10.639 ( -2.024 0.000 1.263) 2.385 11.030 ( -1.266 0.000 -4.771) 4.936 11.181 ( -0.001 0.000 4.956) 4.956 11.232 ( 0.913 0.000 7.386) 7.442 12.061 ( -0.346 0.000 -2.458) 2.482 12.280 ( 1.957 0.000 -0.839) 2.129 12.459 ( 1.061 0.000 8.888) 8.951 12.544 ( -0.398 0.000 5.400) 5.414 13.070 ( 1.636 0.000 -10.186) 10.316 13.090 ( -2.130 0.000 -1.470) 2.588 13.142 ( 0.035 0.000 -0.604) 0.605 13.165 ( 4.807 0.000 -9.601) 10.737 14.110 ( 2.697 0.000 -3.359) 4.308 14.125 ( 2.774 0.000 -4.396) 5.198 14.575 ( 0.036 0.000 0.444) 0.445 14.658 ( -1.626 0.000 0.799) 1.812 15.558 ( 0.984 0.000 -0.572) 1.138 15.640 ( 0.828 0.000 0.197) 0.851 15.972 ( -2.552 0.000 5.874) 6.404 16.059 ( -2.392 0.000 6.632) 7.050 16.938 ( -5.243 0.000 9.004) 10.419 17.044 ( -2.652 0.000 6.316) 6.850 17.311 ( -0.018 0.000 0.306) 0.307 17.430 ( 0.405 0.000 -0.208) 0.455 17.921 ( 4.843 0.000 -6.535) 8.134 17.937 ( 6.122 0.000 -6.796) 9.147 19.525 ( -1.760 0.000 -0.404) 1.805 19.546 ( -0.147 0.000 -0.267) 0.304 19.578 ( -2.392 0.000 -1.590) 2.872 19.628 ( 0.808 0.000 0.064) 0.811 20.339 ( -0.064 0.000 -0.056) 0.085 20.439 ( -0.248 0.000 -0.304) 0.392 21.096 ( 0.105 0.000 0.926) 0.932 21.350 ( -0.347 0.000 -0.109) 0.363 21.411 ( -0.470 0.000 0.515) 0.697 21.786 ( -0.303 0.000 0.256) 0.397 21.934 ( -0.354 0.000 -0.241) 0.428 21.943 ( 0.041 0.000 -0.270) 0.273 24.308 ( 0.849 0.000 -0.340) 0.915 24.395 ( 1.456 0.000 0.253) 1.477 24.926 ( -2.257 0.000 0.094) 2.259 25.063 ( 0.874 0.000 0.286) 0.919 26.009 ( -1.069 0.000 -1.816) 2.107 26.096 ( -0.976 0.000 -1.279) 1.609 27.040 ( -0.253 0.000 -0.154) 0.296 27.085 ( -0.804 0.000 -0.404) 0.900 27.990 ( 0.101 0.000 0.422) 0.434 28.024 ( -0.534 0.000 0.762) 0.931 28.139 ( 0.819 0.000 -0.127) 0.829 28.156 ( -0.434 0.000 -0.053) 0.437 30.806 ( 0.040 0.000 0.341) 0.343 30.950 ( 2.160 0.000 0.387) 2.194 31.218 ( -0.168 0.000 0.619) 0.641 31.376 ( -1.041 0.000 0.751) 1.283 31.532 ( -2.339 0.000 -2.493) 3.419 31.674 ( 1.016 0.000 -1.915) 2.167 32.334 ( 0.471 0.000 -0.129) 0.488 32.574 ( 2.991 0.000 -0.468) 3.027 36.014 ( -0.663 0.000 -0.304) 0.729 36.315 ( -0.923 0.000 1.719) 1.951 37.529 ( 0.586 0.000 1.367) 1.487 38.256 ( 5.454 0.000 0.141) 5.456 38.496 ( -1.174 0.000 1.488) 1.895 38.893 ( 5.461 0.000 -4.959) 7.376 41.104 ( 1.481 0.000 0.302) 1.511 41.154 ( 5.337 0.000 2.190) 5.769 41.427 ( -3.932 0.000 0.215) 3.938 41.547 ( 2.299 0.000 -0.034) 2.299 41.824 ( -7.838 0.000 -1.268) 7.940 41.930 ( -6.928 0.000 -3.765) 7.885 ======================= Grid point 118 (70/100) ======================= q-point: (-0.42 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -8.409 0.000 -1.662) 8.572 1.942 ( -9.160 0.000 -1.292) 9.250 2.168 ( -2.828 0.000 1.260) 3.096 2.276 ( 2.204 0.000 1.515) 2.675 2.337 ( -7.267 0.000 5.671) 9.218 2.387 ( 3.406 0.000 -1.354) 3.666 2.564 ( -3.126 0.000 -1.205) 3.350 2.621 ( 2.730 0.000 7.674) 8.145 2.835 ( -2.617 0.000 -5.674) 6.249 3.026 ( 0.168 0.000 -9.827) 9.828 3.069 ( -7.049 0.000 2.711) 7.553 3.148 ( 5.307 0.000 -5.891) 7.929 3.431 ( -5.908 0.000 -2.068) 6.259 3.556 ( 0.376 0.000 -1.044) 1.109 4.060 ( -2.646 0.000 3.486) 4.376 4.108 ( 1.458 0.000 1.709) 2.247 4.126 ( -1.997 0.000 -3.722) 4.224 4.190 ( -0.520 0.000 5.171) 5.197 4.310 ( 4.063 0.000 4.250) 5.880 4.314 ( 2.641 0.000 6.069) 6.619 4.967 ( 3.743 0.000 -5.497) 6.650 5.178 ( -1.269 0.000 -5.132) 5.287 5.733 ( -6.889 0.000 -0.236) 6.893 5.762 ( -7.888 0.000 -1.290) 7.993 5.895 ( 11.444 0.000 -1.182) 11.505 5.932 ( 1.959 0.000 -1.526) 2.483 6.125 ( -2.176 0.000 -5.549) 5.960 6.237 ( 8.080 0.000 -1.604) 8.238 7.136 ( -4.296 0.000 -0.603) 4.338 7.192 ( -2.114 0.000 2.274) 3.105 7.900 ( -3.377 0.000 0.357) 3.396 8.100 ( -7.062 0.000 1.376) 7.195 8.164 ( -1.450 0.000 10.109) 10.213 8.250 ( -2.082 0.000 -0.887) 2.263 8.403 ( 5.156 0.000 -1.516) 5.374 8.513 ( 2.998 0.000 -3.583) 4.672 10.291 ( -12.144 0.000 -0.287) 12.147 10.384 ( -15.482 0.000 -0.308) 15.485 10.602 ( -3.588 0.000 3.140) 4.768 10.925 ( -8.794 0.000 -2.747) 9.213 11.196 ( -0.257 0.000 5.235) 5.241 11.273 ( 0.506 0.000 5.760) 5.782 11.858 ( -18.514 0.000 -1.998) 18.622 12.125 ( -16.783 0.000 -1.355) 16.838 12.478 ( -4.364 0.000 7.911) 9.035 12.533 ( -3.612 0.000 5.748) 6.789 12.939 ( -7.585 0.000 -12.290) 14.442 13.065 ( -7.409 0.000 -11.961) 14.070 13.107 ( 3.847 0.000 0.657) 3.903 13.164 ( 2.920 0.000 -0.705) 3.004 14.145 ( 4.252 0.000 -4.487) 6.181 14.203 ( 5.694 0.000 -6.155) 8.385 14.520 ( -5.719 0.000 0.244) 5.724 14.575 ( -6.468 0.000 1.034) 6.550 15.542 ( 0.357 0.000 -0.670) 0.759 15.661 ( 3.471 0.000 -0.245) 3.479 15.786 ( -18.601 0.000 5.368) 19.360 15.949 ( -12.202 0.000 6.887) 14.011 16.912 ( -0.923 0.000 7.917) 7.971 17.026 ( -1.076 0.000 5.662) 5.764 17.505 ( 16.779 0.000 -0.030) 16.779 17.640 ( 18.127 0.000 -0.532) 18.135 18.067 ( 11.878 0.000 -6.127) 13.366 18.116 ( 12.973 0.000 -6.914) 14.700 19.601 ( 6.546 0.000 -0.149) 6.548 19.605 ( 10.141 0.000 1.396) 10.236 19.665 ( 11.146 0.000 0.143) 11.147 19.701 ( 7.519 0.000 -0.507) 7.536 20.362 ( 2.658 0.000 0.101) 2.660 20.446 ( 0.989 0.000 0.019) 0.989 21.093 ( -0.990 0.000 0.720) 1.224 21.326 ( -2.417 0.000 0.188) 2.424 21.415 ( 0.644 0.000 1.008) 1.196 21.784 ( -0.140 0.000 0.483) 0.503 21.938 ( 0.518 0.000 -0.157) 0.541 21.947 ( 0.980 0.000 -0.087) 0.984 23.944 ( -26.490 0.000 -1.075) 26.512 24.070 ( -26.932 0.000 -0.132) 26.932 25.286 ( 29.205 0.000 0.416) 29.208 25.427 ( 27.366 0.000 0.131) 27.366 25.953 ( -3.688 0.000 -0.573) 3.732 26.051 ( -3.099 0.000 -0.417) 3.127 27.105 ( 6.886 0.000 0.353) 6.895 27.134 ( 5.628 0.000 0.673) 5.668 27.988 ( -0.293 0.000 0.229) 0.372 28.038 ( 1.235 0.000 0.764) 1.452 28.179 ( 4.079 0.000 -0.323) 4.091 28.235 ( 8.026 0.000 0.171) 8.028 30.755 ( -5.941 0.000 -0.104) 5.941 30.957 ( -1.422 0.000 -2.048) 2.494 31.135 ( -8.617 0.000 0.623) 8.640 31.374 ( 0.149 0.000 1.688) 1.694 31.506 ( 0.556 0.000 0.181) 0.585 31.617 ( -5.725 0.000 -2.488) 6.242 32.296 ( -4.001 0.000 -0.306) 4.012 32.577 ( -1.884 0.000 -2.878) 3.440 35.991 ( -1.832 0.000 0.387) 1.873 36.303 ( -1.505 0.000 2.183) 2.651 37.445 ( -9.849 0.000 0.536) 9.864 38.228 ( -7.280 0.000 -5.814) 9.317 38.413 ( -8.349 0.000 1.984) 8.581 38.883 ( -2.879 0.000 -8.904) 9.357 41.134 ( 1.888 0.000 -1.668) 2.520 41.229 ( 2.318 0.000 -4.380) 4.956 41.446 ( 4.813 0.000 4.310) 6.460 41.580 ( 0.380 0.000 -2.805) 2.831 41.814 ( 6.452 0.000 7.804) 10.126 41.858 ( 0.215 0.000 3.853) 3.859 ======================= Grid point 119 (71/100) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -10.495 0.000 2.048) 10.693 1.765 ( -7.464 0.000 5.206) 9.100 2.094 ( -6.571 0.000 2.071) 6.889 2.192 ( -10.895 0.000 9.091) 14.190 2.308 ( -0.880 0.000 2.087) 2.265 2.473 ( 5.019 0.000 3.033) 5.864 2.500 ( -1.901 0.000 -2.664) 3.272 2.762 ( 1.668 0.000 7.964) 8.136 2.782 ( 3.818 0.000 2.419) 4.520 2.913 ( -9.756 0.000 3.606) 10.402 3.025 ( 2.736 0.000 -2.070) 3.431 3.266 ( -9.446 0.000 -3.319) 10.012 3.281 ( 8.697 0.000 -0.345) 8.704 3.526 ( -3.372 0.000 0.154) 3.375 3.909 ( -8.522 0.000 -6.050) 10.451 3.999 ( -4.082 0.000 -10.243) 11.027 4.216 ( 1.842 0.000 4.959) 5.290 4.229 ( 1.584 0.000 3.852) 4.165 4.392 ( 1.136 0.000 5.419) 5.536 4.408 ( 4.171 0.000 4.504) 6.139 5.015 ( 2.703 0.000 -3.525) 4.442 5.118 ( -2.484 0.000 -3.506) 4.297 5.472 ( -17.329 0.000 -4.898) 18.008 5.537 ( -15.583 0.000 -2.490) 15.781 6.002 ( 5.035 0.000 2.091) 5.452 6.114 ( 3.424 0.000 -2.088) 4.011 6.158 ( 14.765 0.000 -2.195) 14.927 6.470 ( 16.101 0.000 -1.137) 16.141 7.065 ( -1.352 0.000 -4.924) 5.106 7.150 ( -2.778 0.000 1.760) 3.289 7.703 ( -18.031 0.000 2.249) 18.171 7.886 ( -17.085 0.000 0.151) 17.086 8.061 ( -14.453 0.000 4.881) 15.255 8.117 ( -12.381 0.000 -1.010) 12.422 8.548 ( 9.084 0.000 -2.575) 9.442 8.623 ( 8.355 0.000 0.695) 8.384 9.959 ( -21.369 0.000 -0.917) 21.389 9.976 ( -23.674 0.000 -1.622) 23.729 10.486 ( -12.264 0.000 5.687) 13.518 10.618 ( -24.238 0.000 0.955) 24.256 11.223 ( 0.244 0.000 4.189) 4.196 11.309 ( 1.340 0.000 2.536) 2.868 11.484 ( -15.229 0.000 -1.722) 15.326 11.736 ( -20.736 0.000 -0.821) 20.752 12.354 ( -10.732 0.000 5.029) 11.851 12.445 ( -8.520 0.000 4.096) 9.453 12.760 ( -3.939 0.000 -13.269) 13.841 12.880 ( -4.261 0.000 -13.448) 14.107 13.216 ( 6.876 0.000 1.012) 6.950 13.258 ( 7.349 0.000 0.190) 7.351 14.219 ( 5.707 0.000 -5.589) 7.988 14.263 ( 4.211 0.000 -7.234) 8.371 14.403 ( -5.400 0.000 -0.359) 5.412 14.462 ( -5.395 0.000 0.401) 5.410 15.408 ( -22.289 0.000 5.147) 22.875 15.641 ( 10.658 0.000 -0.027) 10.658 15.692 ( -17.381 0.000 5.688) 18.289 15.813 ( 12.731 0.000 -0.659) 12.748 16.957 ( 1.721 0.000 5.699) 5.953 17.078 ( 3.562 0.000 5.795) 6.803 17.795 ( 11.686 0.000 -0.252) 11.688 17.947 ( 11.997 0.000 -0.938) 12.034 18.240 ( 8.119 0.000 -3.792) 8.961 18.302 ( 9.637 0.000 -4.609) 10.683 19.804 ( 14.840 0.000 -0.413) 14.846 19.877 ( 16.019 0.000 1.191) 16.063 19.925 ( 16.402 0.000 -0.617) 16.414 19.927 ( 13.998 0.000 0.340) 14.002 20.445 ( 5.952 0.000 0.095) 5.953 20.477 ( 2.400 0.000 0.835) 2.541 21.053 ( -3.919 0.000 0.522) 3.953 21.254 ( -5.334 0.000 0.193) 5.337 21.449 ( 2.286 0.000 1.719) 2.860 21.784 ( -0.201 0.000 0.889) 0.911 21.942 ( 0.270 0.000 -0.504) 0.572 21.992 ( 3.357 0.000 0.231) 3.365 23.460 ( -23.117 0.000 -0.739) 23.128 23.550 ( -26.346 0.000 -1.425) 26.384 25.856 ( 29.849 0.000 0.254) 29.851 25.899 ( -1.213 0.000 1.314) 1.788 25.957 ( 27.895 0.000 0.167) 27.896 25.991 ( -2.745 0.000 0.539) 2.797 27.270 ( 9.414 0.000 0.637) 9.436 27.313 ( 13.184 0.000 1.922) 13.324 27.986 ( -0.188 0.000 0.220) 0.290 28.060 ( 0.498 0.000 0.733) 0.886 28.299 ( 8.630 0.000 -0.339) 8.637 28.438 ( 13.073 0.000 0.038) 13.073 30.543 ( -17.295 0.000 -1.787) 17.388 30.845 ( -9.729 0.000 -6.364) 11.626 30.920 ( -13.843 0.000 0.576) 13.855 31.364 ( -1.513 0.000 -0.210) 1.527 31.453 ( -9.610 0.000 -3.252) 10.146 31.609 ( 9.316 0.000 6.548) 11.387 32.215 ( -3.401 0.000 0.237) 3.409 32.487 ( -5.159 0.000 -4.609) 6.918 35.941 ( -4.125 0.000 1.175) 4.290 36.270 ( -3.585 0.000 2.733) 4.508 37.173 ( -18.675 0.000 -0.341) 18.679 37.922 ( -20.573 0.000 -13.030) 24.352 38.213 ( -13.691 0.000 2.928) 14.001 38.713 ( -8.812 0.000 -14.320) 16.815 41.169 ( 3.083 0.000 -2.600) 4.033 41.211 ( 0.047 0.000 -8.979) 8.979 41.544 ( -1.784 0.000 -3.111) 3.587 41.629 ( 10.929 0.000 7.670) 13.352 41.961 ( 7.060 0.000 12.368) 14.241 42.129 ( 19.213 0.000 13.426) 23.439 ======================= Grid point 120 (72/100) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -8.674 0.000 4.314) 9.688 1.676 ( -5.815 0.000 6.598) 8.794 1.916 ( -14.401 0.000 4.837) 15.191 2.063 ( -7.219 0.000 14.021) 15.770 2.227 ( -8.874 0.000 3.744) 9.632 2.471 ( -0.565 0.000 -1.786) 1.873 2.576 ( 3.277 0.000 3.482) 4.782 2.720 ( -3.696 0.000 -2.649) 4.547 2.794 ( -4.635 0.000 3.902) 6.059 2.988 ( 6.389 0.000 17.436) 18.570 3.069 ( -9.414 0.000 -1.393) 9.516 3.094 ( 3.794 0.000 6.194) 7.264 3.443 ( 5.914 0.000 2.740) 6.518 3.451 ( -3.064 0.000 4.784) 5.681 3.725 ( -6.204 0.000 -10.474) 12.174 3.891 ( -1.943 0.000 -10.261) 10.444 4.207 ( -4.090 0.000 0.094) 4.091 4.244 ( -2.818 0.000 2.475) 3.751 4.389 ( -3.742 0.000 2.950) 4.765 4.492 ( 1.937 0.000 1.824) 2.661 5.016 ( -1.792 0.000 0.525) 1.868 5.080 ( 0.081 0.000 -0.872) 0.875 5.092 ( -18.586 0.000 -9.951) 21.083 5.188 ( -18.780 0.000 -2.460) 18.941 6.110 ( 2.527 0.000 4.425) 5.096 6.205 ( 5.203 0.000 1.468) 5.406 6.314 ( 1.046 0.000 -3.055) 3.230 6.620 ( -10.950 0.000 0.313) 10.954 6.975 ( -10.103 0.000 -7.704) 12.705 7.196 ( 11.028 0.000 -0.690) 11.049 7.304 ( -21.669 0.000 2.311) 21.792 7.532 ( -11.804 0.000 -0.713) 11.825 7.662 ( -27.993 0.000 0.282) 27.994 7.805 ( -16.715 0.000 -0.996) 16.745 8.636 ( 1.159 0.000 -4.286) 4.440 8.777 ( 6.545 0.000 1.794) 6.787 9.568 ( -16.249 0.000 2.234) 16.402 9.612 ( -14.131 0.000 -3.578) 14.577 10.141 ( -23.157 0.000 6.952) 24.178 10.208 ( -18.332 0.000 8.389) 20.160 11.233 ( 0.119 0.000 -0.106) 0.159 11.324 ( -3.040 0.000 -0.768) 3.136 11.343 ( 1.707 0.000 -2.061) 2.677 11.424 ( -11.006 0.000 -1.164) 11.067 12.187 ( -7.828 0.000 1.950) 8.068 12.285 ( -8.448 0.000 0.720) 8.478 12.648 ( -2.584 0.000 -11.557) 11.842 12.765 ( -2.445 0.000 -13.065) 13.291 13.375 ( 9.609 0.000 0.388) 9.617 13.429 ( 9.760 0.000 1.584) 9.888 14.288 ( 4.232 0.000 -7.505) 8.616 14.300 ( 3.563 0.000 -8.442) 9.163 14.333 ( -1.831 0.000 -0.992) 2.083 14.383 ( -3.164 0.000 0.231) 3.172 15.042 ( -18.145 0.000 5.775) 19.042 15.374 ( -18.513 0.000 5.658) 19.358 15.919 ( 17.598 0.000 0.504) 17.605 16.103 ( 17.449 0.000 -1.391) 17.504 17.022 ( 2.383 0.000 5.171) 5.693 17.193 ( 5.018 0.000 5.795) 7.665 17.924 ( 2.789 0.000 0.186) 2.795 18.050 ( 0.287 0.000 -1.519) 1.546 18.339 ( 4.339 0.000 -1.890) 4.732 18.446 ( 7.376 0.000 -1.697) 7.569 20.100 ( 14.206 0.000 -0.855) 14.232 20.126 ( 7.288 0.000 0.399) 7.299 20.153 ( 11.442 0.000 -1.358) 11.522 20.257 ( 15.953 0.000 -0.695) 15.969 20.524 ( 3.264 0.000 0.804) 3.362 20.593 ( 7.431 0.000 0.661) 7.460 20.948 ( -6.246 0.000 0.392) 6.258 21.143 ( -5.101 0.000 -0.369) 5.114 21.513 ( 3.138 0.000 1.999) 3.721 21.779 ( -1.072 0.000 1.105) 1.540 21.948 ( 0.692 0.000 -0.680) 0.970 22.060 ( 3.283 0.000 0.051) 3.283 23.061 ( -20.074 0.000 0.805) 20.090 23.139 ( -13.987 0.000 -3.668) 14.460 25.948 ( 5.239 0.000 2.968) 6.021 25.978 ( 1.730 0.000 2.586) 3.112 26.378 ( 24.510 0.000 -0.016) 24.510 26.454 ( 24.019 0.000 0.420) 24.022 27.465 ( 10.626 0.000 1.361) 10.713 27.620 ( 17.889 0.000 0.983) 17.916 27.975 ( -1.275 0.000 0.379) 1.330 28.060 ( -1.051 0.000 0.843) 1.347 28.494 ( 12.287 0.000 -0.255) 12.290 28.714 ( 16.078 0.000 -0.537) 16.087 30.072 ( -30.804 0.000 -3.474) 30.999 30.460 ( -27.423 0.000 -14.023) 30.800 30.653 ( -13.722 0.000 0.465) 13.730 31.256 ( -8.537 0.000 -4.094) 9.468 31.363 ( 1.788 0.000 2.001) 2.683 31.892 ( 15.543 0.000 8.661) 17.793 32.204 ( 2.429 0.000 1.712) 2.972 32.368 ( -4.468 0.000 -3.904) 5.933 35.834 ( -8.184 0.000 1.614) 8.341 36.174 ( -8.557 0.000 2.929) 9.044 36.762 ( -23.819 0.000 -1.162) 23.847 37.343 ( -32.538 0.000 -16.724) 36.584 37.946 ( -15.541 0.000 3.120) 15.851 38.451 ( -9.553 0.000 -18.476) 20.799 41.170 ( 0.397 0.000 -9.049) 9.058 41.224 ( 3.915 0.000 -2.597) 4.698 41.502 ( -1.355 0.000 -1.274) 1.860 41.910 ( 14.082 0.000 9.802) 17.158 42.214 ( 12.015 0.000 17.174) 20.959 42.633 ( 26.295 0.000 15.748) 30.651 ======================= Grid point 121 (73/100) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -3.641 0.000 5.493) 6.590 1.591 ( -5.633 0.000 3.693) 6.736 1.622 ( -18.349 0.000 9.438) 20.634 2.049 ( -3.265 0.000 11.845) 12.286 2.070 ( -8.596 0.000 5.265) 10.081 2.432 ( -5.795 0.000 7.428) 9.421 2.555 ( -11.749 0.000 -5.975) 13.181 2.593 ( -3.611 0.000 -1.330) 3.848 2.671 ( -10.063 0.000 -1.621) 10.193 2.980 ( -0.542 0.000 7.861) 7.880 3.066 ( -3.504 0.000 12.865) 13.334 3.264 ( 3.111 0.000 14.108) 14.447 3.434 ( 3.870 0.000 8.569) 9.402 3.588 ( -2.874 0.000 -12.406) 12.735 3.598 ( 3.449 0.000 8.848) 9.497 3.837 ( 0.456 0.000 -6.272) 6.289 4.066 ( -9.816 0.000 -3.947) 10.580 4.093 ( -14.498 0.000 -0.606) 14.510 4.274 ( -9.191 0.000 -0.608) 9.211 4.430 ( -8.685 0.000 -6.705) 10.972 4.709 ( -15.405 0.000 -12.000) 19.527 4.841 ( -16.056 0.000 -3.718) 16.481 4.978 ( -3.762 0.000 7.158) 8.086 5.108 ( 2.215 0.000 3.854) 4.445 5.927 ( -19.499 0.000 1.683) 19.572 6.107 ( -30.104 0.000 3.606) 30.319 6.238 ( -8.286 0.000 4.006) 9.204 6.388 ( 8.635 0.000 2.913) 9.113 6.526 ( -28.998 0.000 -1.191) 29.022 6.857 ( -25.078 0.000 -3.623) 25.338 7.294 ( -5.573 0.000 -6.112) 8.271 7.385 ( 3.536 0.000 -3.716) 5.129 7.539 ( 5.300 0.000 -2.588) 5.898 7.752 ( 16.828 0.000 -1.964) 16.942 8.603 ( -0.830 0.000 -2.419) 2.557 8.869 ( 2.239 0.000 1.763) 2.850 9.349 ( -9.173 0.000 0.207) 9.175 9.426 ( -5.207 0.000 -0.162) 5.209 9.867 ( -11.570 0.000 10.426) 15.574 9.975 ( -9.712 0.000 8.255) 12.747 11.241 ( 1.820 0.000 -3.912) 4.315 11.273 ( -2.716 0.000 -0.457) 2.755 11.319 ( -0.890 0.000 -0.505) 1.023 11.343 ( 0.543 0.000 -6.459) 6.482 12.079 ( -4.903 0.000 0.751) 4.961 12.153 ( -5.640 0.000 -0.565) 5.668 12.541 ( -3.373 0.000 -9.960) 10.516 12.639 ( -4.768 0.000 -12.191) 13.090 13.573 ( 10.827 0.000 0.137) 10.827 13.622 ( 9.407 0.000 1.981) 9.613 14.269 ( -3.314 0.000 -6.490) 7.287 14.305 ( 1.143 0.000 -10.800) 10.860 14.313 ( -0.283 0.000 -0.724) 0.778 14.342 ( -1.181 0.000 0.053) 1.182 14.826 ( -6.531 0.000 4.806) 8.109 15.090 ( -13.155 0.000 6.028) 14.470 16.263 ( 17.357 0.000 0.591) 17.367 16.415 ( 15.487 0.000 -1.925) 15.607 17.091 ( 1.959 0.000 6.052) 6.361 17.298 ( 3.036 0.000 4.609) 5.519 17.943 ( -0.379 0.000 1.175) 1.235 17.994 ( -3.454 0.000 -2.462) 4.242 18.405 ( 3.558 0.000 -0.033) 3.558 18.561 ( 4.855 0.000 -0.009) 4.855 20.210 ( -3.985 0.000 -0.399) 4.005 20.213 ( 2.728 0.000 -0.378) 2.754 20.290 ( 3.951 0.000 -2.158) 4.502 20.343 ( -7.592 0.000 -2.239) 7.915 20.601 ( 4.282 0.000 1.527) 4.546 20.708 ( 4.399 0.000 -0.044) 4.399 20.953 ( 8.366 0.000 0.072) 8.366 21.132 ( 4.986 0.000 -0.319) 4.997 21.560 ( 0.400 0.000 1.579) 1.628 21.744 ( -3.197 0.000 0.763) 3.287 21.960 ( 0.797 0.000 -0.706) 1.065 22.103 ( 1.406 0.000 -0.115) 1.411 22.757 ( -11.791 0.000 0.043) 11.791 22.957 ( -4.685 0.000 -3.069) 5.600 26.060 ( 7.602 0.000 2.910) 8.140 26.160 ( 12.547 0.000 5.866) 13.851 26.750 ( 14.708 0.000 -0.180) 14.709 26.835 ( 15.240 0.000 0.492) 15.247 27.670 ( 9.736 0.000 1.565) 9.861 27.940 ( -2.468 0.000 0.823) 2.601 27.953 ( 16.019 0.000 -2.785) 16.259 28.028 ( -2.601 0.000 1.124) 2.833 28.758 ( 15.388 0.000 0.109) 15.388 29.028 ( 17.328 0.000 -1.611) 17.403 29.407 ( -35.673 0.000 -3.640) 35.858 29.695 ( -43.656 0.000 -16.027) 46.505 30.435 ( -9.332 0.000 0.394) 9.340 31.116 ( -3.821 0.000 -5.049) 6.332 31.444 ( 4.776 0.000 3.633) 6.001 32.120 ( 2.432 0.000 0.737) 2.542 32.321 ( 1.853 0.000 1.031) 2.120 32.410 ( 17.846 0.000 5.619) 18.710 35.649 ( -11.755 0.000 1.285) 11.825 35.959 ( -15.460 0.000 2.028) 15.593 36.298 ( -23.525 0.000 -2.264) 23.633 36.611 ( -35.249 0.000 -10.228) 36.703 37.684 ( -12.527 0.000 1.415) 12.607 38.224 ( -4.751 0.000 -17.988) 18.605 41.145 ( 1.122 0.000 -8.166) 8.243 41.284 ( 3.395 0.000 -2.231) 4.062 41.488 ( 0.142 0.000 1.108) 1.117 42.230 ( 14.098 0.000 10.508) 17.584 42.555 ( 14.604 0.000 18.313) 23.423 43.237 ( 29.112 0.000 14.406) 32.482 ======================= Grid point 122 (74/100) ======================= q-point: (-0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -12.376 0.000 16.272) 20.444 1.472 ( -10.780 0.000 1.406) 10.871 1.531 ( 3.286 0.000 3.446) 4.762 1.843 ( -24.960 0.000 8.521) 26.374 1.982 ( -3.113 0.000 5.772) 6.558 2.219 ( -12.582 0.000 -8.309) 15.078 2.372 ( -11.682 0.000 -6.845) 13.540 2.473 ( 1.658 0.000 18.555) 18.629 2.522 ( -7.472 0.000 -3.309) 8.172 3.041 ( -4.691 0.000 11.562) 12.477 3.056 ( 2.558 0.000 11.715) 11.991 3.280 ( -6.114 0.000 9.273) 11.107 3.475 ( -4.009 0.000 -9.621) 10.423 3.528 ( -11.430 0.000 5.955) 12.888 3.593 ( -0.614 0.000 2.594) 2.666 3.823 ( -7.732 0.000 -10.092) 12.713 3.828 ( -4.842 0.000 3.193) 5.800 3.836 ( -4.168 0.000 2.106) 4.670 4.068 ( -8.409 0.000 -4.391) 9.486 4.230 ( -2.452 0.000 -10.131) 10.423 4.423 ( -9.722 0.000 -11.620) 15.150 4.562 ( -10.711 0.000 -5.647) 12.108 4.968 ( -1.120 0.000 12.841) 12.890 5.203 ( 5.110 0.000 5.457) 7.476 5.665 ( -7.096 0.000 5.627) 9.056 5.813 ( -5.495 0.000 4.721) 7.245 5.916 ( -19.733 0.000 3.006) 19.961 5.967 ( -22.924 0.000 -2.511) 23.062 6.587 ( 9.294 0.000 5.671) 10.887 6.706 ( 2.959 0.000 2.526) 3.891 7.193 ( -3.435 0.000 -9.424) 10.031 7.326 ( -3.541 0.000 -8.670) 9.366 7.701 ( 8.320 0.000 -1.927) 8.540 8.066 ( 14.201 0.000 -6.618) 15.667 8.626 ( 3.791 0.000 0.590) 3.837 8.883 ( -1.259 0.000 1.198) 1.738 9.219 ( -4.249 0.000 0.747) 4.314 9.366 ( -2.204 0.000 1.349) 2.584 9.774 ( -3.515 0.000 8.932) 9.598 9.883 ( -4.688 0.000 6.704) 8.180 11.248 ( 0.446 0.000 -5.555) 5.573 11.255 ( 0.702 0.000 -0.082) 0.707 11.305 ( -0.988 0.000 -0.063) 0.990 11.318 ( 0.074 0.000 -7.045) 7.045 11.984 ( -4.738 0.000 -1.688) 5.029 12.068 ( -3.245 0.000 0.122) 3.247 12.436 ( -2.868 0.000 -8.075) 8.569 12.485 ( -5.274 0.000 -9.297) 10.689 13.761 ( 8.270 0.000 -0.272) 8.274 13.780 ( 6.029 0.000 1.724) 6.270 14.132 ( -7.361 0.000 -2.580) 7.800 14.236 ( -3.574 0.000 -6.306) 7.248 14.301 ( -0.686 0.000 0.212) 0.718 14.340 ( 0.643 0.000 -0.335) 0.725 14.826 ( 4.094 0.000 0.066) 4.095 14.967 ( -1.986 0.000 1.083) 2.263 16.530 ( 9.786 0.000 0.560) 9.802 16.632 ( 7.671 0.000 -1.529) 7.822 17.148 ( 0.619 0.000 7.346) 7.372 17.336 ( -1.109 0.000 2.985) 3.184 17.912 ( -1.524 0.000 0.018) 1.524 17.976 ( 1.666 0.000 -1.779) 2.437 18.478 ( 3.692 0.000 1.365) 3.936 18.613 ( 0.216 0.000 0.928) 0.952 20.010 ( -13.510 0.000 0.473) 13.518 20.125 ( -9.977 0.000 -3.284) 10.504 20.242 ( 0.849 0.000 -0.568) 1.021 20.300 ( -1.099 0.000 -1.487) 1.849 20.693 ( 4.511 0.000 1.340) 4.706 20.759 ( 1.026 0.000 0.126) 1.034 21.139 ( 8.562 0.000 -0.087) 8.563 21.261 ( 6.363 0.000 -0.110) 6.364 21.541 ( -2.607 0.000 1.402) 2.960 21.679 ( -3.321 0.000 0.812) 3.418 21.967 ( 0.439 0.000 -0.820) 0.930 22.123 ( 0.825 0.000 -0.049) 0.827 22.610 ( -4.466 0.000 0.005) 4.466 22.901 ( -0.512 0.000 -2.869) 2.914 26.270 ( 11.792 0.000 3.020) 12.173 26.439 ( 13.242 0.000 4.239) 13.904 26.935 ( 5.478 0.000 -0.238) 5.483 27.018 ( 4.615 0.000 0.218) 4.620 27.807 ( 2.918 0.000 0.852) 3.040 27.910 ( -0.848 0.000 1.442) 1.673 27.986 ( -2.072 0.000 1.408) 2.505 28.077 ( -4.622 0.000 -8.197) 9.411 28.820 ( -20.721 0.000 -1.423) 20.770 28.882 ( -29.196 0.000 -3.981) 29.467 29.037 ( 12.513 0.000 0.485) 12.523 29.316 ( 12.848 0.000 -2.376) 13.066 30.306 ( -4.669 0.000 0.385) 4.684 31.056 ( -0.385 0.000 -5.818) 5.831 31.553 ( 4.516 0.000 3.281) 5.582 32.103 ( -1.601 0.000 -1.275) 2.047 32.396 ( 3.287 0.000 3.394) 4.725 32.756 ( 13.005 0.000 1.315) 13.072 35.439 ( -9.750 0.000 0.338) 9.756 35.656 ( -15.050 0.000 0.785) 15.071 35.910 ( -13.975 0.000 -1.786) 14.089 36.053 ( -19.582 0.000 0.320) 19.585 37.512 ( -5.971 0.000 0.301) 5.979 38.106 ( 0.211 0.000 -15.201) 15.203 41.127 ( 0.580 0.000 -7.075) 7.099 41.325 ( 1.828 0.000 -1.633) 2.451 41.518 ( 2.049 0.000 1.904) 2.797 42.510 ( 9.805 0.000 9.356) 13.553 42.902 ( 12.691 0.000 14.946) 19.607 43.800 ( 22.956 0.000 7.518) 24.156 ======================= Grid point 123 (75/100) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -4.694 2.255 8.119) 9.646 1.304 ( -0.495 -2.065 9.406) 9.642 1.592 ( -4.056 4.024 6.810) 8.890 1.667 ( -1.222 -0.280 10.775) 10.848 2.020 ( 0.159 5.363 2.466) 5.905 2.177 ( 5.779 7.012 -5.247) 10.493 2.215 ( -6.181 -6.081 0.781) 8.706 2.364 ( 4.466 -4.966 -0.880) 6.737 2.537 ( -0.253 5.244 -3.067) 6.081 2.857 ( 0.455 -15.688 1.306) 15.749 3.072 ( 0.642 1.939 11.217) 11.402 3.187 ( -1.972 -6.306 10.095) 12.065 3.351 ( 1.641 3.820 3.502) 5.436 3.452 ( 1.627 -2.757 0.843) 3.311 3.586 ( -0.792 3.719 -2.006) 4.299 3.660 ( -0.359 -1.567 -3.437) 3.794 3.880 ( -0.932 3.337 -6.741) 7.580 3.914 ( 3.117 7.943 2.474) 8.884 3.962 ( -2.216 -2.433 -11.235) 11.708 4.113 ( 1.908 -6.815 -0.904) 7.135 4.348 ( -2.415 6.595 -5.367) 8.839 4.444 ( -1.330 -0.857 -3.070) 3.453 5.117 ( 2.131 4.370 9.620) 10.779 5.239 ( 2.386 -5.526 4.371) 7.439 5.705 ( 3.205 2.761 4.702) 6.324 5.745 ( 0.053 5.161 1.593) 5.402 5.777 ( 3.513 -2.742 3.713) 5.800 5.828 ( 2.887 -0.931 0.968) 3.184 6.733 ( 5.884 -0.810 5.940) 8.400 6.767 ( 5.142 -2.719 4.810) 7.547 7.090 ( -6.950 1.864 -6.976) 10.022 7.142 ( -7.632 -2.352 -9.204) 12.186 7.828 ( -0.601 6.492 -3.846) 7.570 8.033 ( -0.943 -9.239 -8.317) 12.467 8.755 ( 2.611 3.012 0.501) 4.017 8.825 ( 1.186 -2.622 0.217) 2.886 9.244 ( 1.475 2.653 0.989) 3.193 9.314 ( 0.779 -3.050 1.363) 3.430 9.842 ( 0.972 2.744 5.796) 6.486 9.873 ( 0.712 0.140 5.061) 5.113 11.200 ( -5.223 0.885 -3.257) 6.218 11.224 ( -5.772 -1.025 -4.065) 7.134 11.279 ( -0.508 0.359 -0.250) 0.671 11.285 ( -0.123 -0.063 -0.701) 0.715 11.954 ( 0.258 2.425 -1.388) 2.806 12.014 ( 0.880 -2.347 -0.482) 2.552 12.376 ( 0.074 0.194 -6.490) 6.493 12.383 ( -0.620 -0.359 -6.361) 6.402 13.847 ( -0.066 1.295 0.173) 1.308 13.869 ( 1.581 -0.519 -0.573) 1.760 14.037 ( -4.017 2.006 0.949) 4.589 14.098 ( -4.624 -2.843 0.392) 5.442 14.314 ( 0.048 1.146 -0.238) 1.171 14.339 ( 0.066 -0.868 -0.433) 0.972 14.958 ( 8.137 0.765 -4.069) 9.130 14.977 ( 5.676 -0.743 -5.140) 7.693 16.642 ( -0.366 1.082 0.840) 1.418 16.666 ( -1.730 -0.795 -0.128) 1.908 17.197 ( -2.255 1.551 7.688) 8.161 17.251 ( -4.083 -2.718 5.053) 7.042 17.932 ( 0.551 1.874 -0.973) 2.183 17.978 ( 1.474 -1.796 -1.650) 2.850 18.550 ( 0.365 0.946 1.523) 1.830 18.578 ( -0.682 -1.297 2.034) 2.507 19.897 ( -1.812 3.914 0.294) 4.323 19.981 ( -1.245 -2.548 -1.285) 3.113 20.251 ( -0.417 0.503 -0.306) 0.721 20.264 ( -0.584 -0.571 -0.040) 0.818 20.754 ( -0.600 0.347 0.820) 1.074 20.764 ( 1.353 -0.282 0.664) 1.534 21.243 ( -0.069 1.605 -0.464) 1.672 21.293 ( -0.371 -2.311 -0.317) 2.362 21.541 ( -0.624 2.967 1.631) 3.442 21.617 ( 0.061 -2.929 1.010) 3.099 21.988 ( 0.415 1.618 -0.822) 1.861 22.056 ( 0.109 -4.267 -0.209) 4.274 22.688 ( 0.058 7.571 -1.419) 7.703 22.836 ( 0.290 -4.666 -2.483) 5.293 26.444 ( 0.499 2.614 1.505) 3.057 26.545 ( 2.920 -5.917 -0.087) 6.599 27.028 ( 0.533 2.383 -0.260) 2.456 27.055 ( 0.010 -0.095 0.046) 0.106 27.801 ( 0.001 -0.134 -0.531) 0.548 27.819 ( -1.187 -1.659 -1.252) 2.394 27.961 ( -0.609 1.796 1.335) 2.319 27.978 ( 0.023 0.130 1.453) 1.459 28.632 ( -0.222 0.100 0.642) 0.686 28.645 ( -0.342 -1.050 0.935) 1.447 29.267 ( -0.352 6.390 -1.935) 6.686 29.390 ( -0.833 -3.633 -2.522) 4.500 30.393 ( -0.358 11.338 -1.789) 11.484 30.740 ( -0.211 -17.462 -4.638) 18.069 31.858 ( 1.635 12.085 0.271) 12.198 32.041 ( 0.838 -4.213 -1.000) 4.410 32.513 ( -1.471 6.942 4.627) 8.472 32.726 ( -1.741 -9.727 3.136) 10.367 35.371 ( -1.017 3.284 -0.372) 3.458 35.454 ( -0.905 -3.395 0.006) 3.514 35.817 ( 0.546 2.346 -0.407) 2.443 35.879 ( 3.980 -2.667 -0.126) 4.793 37.650 ( 0.655 14.139 -5.575) 15.212 37.952 ( 2.146 -10.134 -11.872) 15.756 41.120 ( -0.411 2.268 -4.495) 5.051 41.212 ( 0.094 -5.858 -2.795) 6.492 41.819 ( 1.625 17.038 2.927) 17.363 42.273 ( 1.852 -21.793 5.928) 22.661 43.509 ( 4.128 21.132 6.655) 22.536 43.925 ( 4.428 -13.827 2.543) 14.740 ======================= Grid point 124 (76/100) ======================= q-point: ( 0.08 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 4.873 3.528 10.555) 12.149 1.443 ( 13.036 -0.242 5.671) 14.219 1.809 ( 15.512 2.502 5.801) 16.749 1.837 ( 15.032 2.032 9.727) 18.020 2.043 ( 2.717 -0.830 1.625) 3.273 2.144 ( 1.065 -8.700 0.878) 8.809 2.309 ( 9.667 8.182 -5.925) 13.982 2.472 ( -3.431 3.758 -2.551) 5.692 2.562 ( 13.318 0.420 -2.638) 13.583 2.885 ( 3.425 -17.362 1.076) 17.730 3.238 ( 7.019 2.032 11.654) 13.755 3.322 ( 6.694 -4.600 10.194) 13.034 3.483 ( 6.665 4.038 -3.099) 8.387 3.568 ( 13.220 -1.960 -2.122) 13.532 3.636 ( 3.601 5.333 -2.517) 6.910 3.744 ( 10.068 -0.631 -0.518) 10.101 3.810 ( -2.295 0.792 -4.480) 5.096 3.862 ( 0.389 -1.372 -4.606) 4.821 4.023 ( 8.182 5.704 -1.910) 10.156 4.146 ( 4.127 -4.357 -2.798) 6.622 4.379 ( 7.745 6.702 -2.608) 10.569 4.487 ( 7.219 -1.961 -1.286) 7.590 5.216 ( 4.118 2.327 5.181) 7.015 5.320 ( 5.212 -6.037 1.372) 8.092 5.827 ( 8.178 1.784 2.453) 8.722 5.866 ( 8.670 -0.970 1.886) 8.926 5.989 ( 20.563 5.316 0.744) 21.252 6.066 ( 22.342 -0.223 -2.549) 22.488 6.780 ( -5.048 -1.416 -1.158) 5.369 6.804 ( -5.316 -2.483 -2.153) 6.250 6.981 ( 1.033 1.286 1.393) 2.159 7.019 ( 0.926 -1.443 0.976) 1.973 7.729 ( -7.727 4.703 -2.225) 9.315 7.871 ( -11.411 -6.441 -5.784) 14.323 8.760 ( -1.110 4.756 -1.930) 5.251 8.866 ( 2.358 -3.761 -0.971) 4.544 9.299 ( 4.031 2.064 -0.224) 4.534 9.371 ( 4.912 -3.708 -0.215) 6.158 9.925 ( 6.169 2.465 3.340) 7.435 9.954 ( 5.591 0.090 3.114) 6.400 11.037 ( -10.482 0.384 1.712) 10.628 11.051 ( -10.548 -0.722 1.130) 10.633 11.264 ( -0.526 1.083 0.059) 1.205 11.289 ( 0.090 -0.955 0.068) 0.962 12.004 ( 5.337 2.774 -1.322) 6.159 12.073 ( 5.113 -2.649 -1.179) 5.877 12.378 ( 2.156 0.163 -4.161) 4.690 12.385 ( 3.187 -0.435 -5.288) 6.190 13.781 ( -6.340 1.931 -0.409) 6.640 13.824 ( -5.467 -1.567 -0.944) 5.765 14.015 ( -0.003 1.149 3.016) 3.227 14.044 ( -1.269 -1.249 2.501) 3.070 14.319 ( 0.620 0.512 -0.430) 0.912 14.334 ( -0.298 -0.601 -0.434) 0.799 15.079 ( 8.531 1.378 -8.738) 12.289 15.110 ( 10.552 -1.141 -6.746) 12.576 16.549 ( -10.486 0.260 0.398) 10.497 16.553 ( -9.761 -0.109 1.634) 9.897 17.166 ( -5.268 0.814 7.985) 9.601 17.198 ( -4.070 -1.692 7.542) 8.735 17.930 ( 0.475 2.703 -0.870) 2.880 17.996 ( 1.431 -2.555 -2.266) 3.703 18.527 ( -2.649 1.928 0.484) 3.312 18.578 ( -1.245 -2.135 1.431) 2.856 20.001 ( 10.855 2.729 1.820) 11.340 20.060 ( 8.644 -1.900 -0.131) 8.851 20.244 ( -0.176 0.728 -0.110) 0.757 20.260 ( -0.211 -0.556 0.254) 0.647 20.721 ( -3.115 1.459 0.728) 3.516 20.756 ( -2.383 -1.164 0.336) 2.673 21.162 ( -7.944 1.791 -0.295) 8.149 21.220 ( -7.107 -2.733 0.060) 7.615 21.560 ( 1.540 3.634 1.592) 4.256 21.652 ( 2.814 -3.533 0.816) 4.589 21.992 ( 0.402 1.458 -0.984) 1.804 22.055 ( -0.072 -3.960 -0.289) 3.971 22.707 ( 2.857 6.789 -0.901) 7.421 22.842 ( 1.876 -4.331 -2.068) 5.152 26.342 ( -9.440 3.920 0.461) 10.232 26.473 ( -8.525 -6.949 -1.702) 11.129 26.980 ( -5.896 2.577 -0.390) 6.446 27.012 ( -5.232 -0.391 0.143) 5.248 27.839 ( 0.204 0.690 -0.202) 0.748 27.869 ( 2.018 -1.831 -0.527) 2.775 27.974 ( 0.537 1.809 1.154) 2.212 27.999 ( 1.209 -0.324 0.978) 1.589 28.799 ( 19.603 1.119 0.011) 19.635 28.833 ( 22.222 -1.602 -0.916) 22.299 29.122 ( -13.073 4.651 -0.889) 13.904 29.224 ( -14.411 -3.480 -1.071) 14.864 30.425 ( 4.300 10.468 -0.900) 11.352 30.745 ( 2.937 -16.263 -3.017) 16.799 31.871 ( -0.155 12.710 -1.296) 12.776 32.063 ( 1.898 -4.233 -1.558) 4.893 32.441 ( -7.742 5.363 4.646) 10.502 32.620 ( -10.428 -8.500 4.137) 14.075 35.474 ( 10.859 3.427 0.725) 11.410 35.570 ( 11.821 -4.434 1.095) 12.673 35.957 ( 14.394 5.642 -0.984) 15.492 36.101 ( 18.657 -6.195 -3.791) 20.021 37.673 ( 4.531 13.301 -4.655) 14.802 37.960 ( 4.475 -9.798 -10.762) 15.226 41.086 ( -1.319 2.888 -2.868) 4.279 41.191 ( -1.162 -6.170 -2.010) 6.593 41.829 ( -1.501 16.714 0.801) 16.800 42.272 ( -4.119 -20.899 2.801) 21.484 43.471 ( -9.797 18.668 1.780) 21.158 43.835 ( -13.439 -11.915 -0.992) 17.987 ======================= Grid point 125 (77/100) ======================= q-point: ( 0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 8.240 2.361 3.483) 9.252 1.650 ( 8.717 -3.955 2.186) 9.819 1.989 ( 3.875 5.635 0.405) 6.851 2.055 ( 5.617 5.835 4.481) 9.256 2.177 ( 4.984 -5.379 1.237) 7.437 2.289 ( 7.154 -9.839 4.434) 12.948 2.455 ( 10.875 8.496 2.820) 14.086 2.566 ( 14.595 2.106 0.315) 14.749 2.762 ( 8.448 5.117 -2.551) 10.201 3.000 ( 7.406 -14.789 1.062) 16.574 3.310 ( -2.544 3.018 -0.273) 3.957 3.383 ( -1.733 -2.453 1.324) 3.282 3.510 ( -3.020 4.216 -4.567) 6.910 3.596 ( -3.280 -2.077 1.845) 4.298 3.692 ( -0.613 2.735 -0.326) 2.821 3.772 ( -4.628 -3.800 2.019) 6.320 3.965 ( 10.397 3.445 3.010) 11.359 4.019 ( 10.873 -2.170 1.029) 11.135 4.229 ( 13.923 5.605 -2.284) 15.182 4.345 ( 16.131 -4.584 -3.328) 17.097 4.604 ( 15.908 5.739 -2.653) 17.119 4.701 ( 14.985 -2.173 -0.391) 15.147 5.295 ( 2.153 3.406 -0.274) 4.039 5.402 ( 2.000 -4.683 -3.832) 6.372 6.066 ( 16.765 1.207 -1.633) 16.888 6.118 ( 17.644 -3.473 -1.439) 18.040 6.480 ( 21.238 6.128 0.586) 22.112 6.567 ( 17.854 4.427 -5.433) 19.180 6.653 ( 7.232 -7.269 -0.248) 10.257 6.663 ( 0.087 -2.874 -7.747) 8.264 7.122 ( 11.211 0.226 5.274) 12.392 7.134 ( 9.558 -0.459 4.863) 10.734 7.557 ( -7.467 3.112 -1.780) 8.283 7.630 ( -8.564 -2.854 -1.003) 9.083 8.722 ( -1.577 7.065 -2.457) 7.645 8.876 ( -1.129 -5.124 -1.653) 5.501 9.402 ( 7.908 2.408 -1.464) 8.395 9.490 ( 8.531 -4.606 -2.758) 10.079 10.110 ( 11.144 1.413 0.300) 11.237 10.127 ( 13.923 -0.076 0.507) 13.932 10.872 ( -8.690 0.296 9.367) 12.781 10.886 ( -8.185 -0.777 9.578) 12.623 11.271 ( 1.509 0.874 0.104) 1.747 11.290 ( 0.202 -0.696 0.322) 0.793 12.125 ( 7.715 2.110 -1.172) 8.084 12.176 ( 6.262 -1.901 -1.717) 6.766 12.408 ( 2.405 0.612 -2.244) 3.346 12.426 ( 3.531 -0.934 -4.157) 5.534 13.625 ( -9.281 2.111 -1.179) 9.591 13.676 ( -9.072 -1.924 -1.445) 9.385 14.040 ( 1.473 1.884 3.231) 4.020 14.088 ( 3.376 -1.899 2.376) 4.545 14.323 ( 0.314 0.549 -0.791) 1.012 14.339 ( 1.275 -0.713 -0.277) 1.487 15.219 ( 11.042 3.138 -9.616) 14.974 15.292 ( 12.308 -2.694 -7.053) 14.439 16.285 ( -16.999 0.902 0.473) 17.029 16.309 ( -16.297 -0.967 1.944) 16.441 17.093 ( -6.139 2.189 8.311) 10.561 17.153 ( -5.076 -2.557 8.957) 10.608 17.959 ( 2.634 2.233 -0.471) 3.485 18.014 ( 1.378 -2.098 -2.145) 3.301 18.458 ( -4.666 2.600 -0.861) 5.410 18.525 ( -4.855 -2.735 -0.108) 5.574 20.193 ( 2.033 0.110 0.239) 2.050 20.204 ( 2.694 -0.823 0.545) 2.869 20.247 ( 0.282 1.404 0.505) 1.518 20.263 ( 2.345 0.315 1.409) 2.754 20.646 ( -5.012 1.506 0.629) 5.271 20.686 ( -4.906 -1.674 0.543) 5.212 20.985 ( -8.323 2.933 0.267) 8.829 21.072 ( -6.063 -4.051 0.481) 7.307 21.596 ( 1.065 4.968 1.363) 5.261 21.712 ( 2.744 -4.164 0.599) 5.022 21.989 ( -0.353 1.434 -1.014) 1.791 22.048 ( -0.574 -3.633 -0.436) 3.704 22.807 ( 8.740 5.042 -0.216) 10.092 22.909 ( 6.969 -3.274 -1.735) 7.892 26.167 ( -7.992 3.494 -0.562) 8.741 26.273 ( -10.353 -5.154 -2.316) 11.795 26.782 ( -15.487 2.462 -0.156) 15.682 26.824 ( -15.377 -1.111 0.110) 15.418 27.736 ( -9.712 1.616 -0.248) 9.848 27.788 ( -9.912 -2.585 1.052) 10.297 27.996 ( 1.527 2.085 0.278) 2.599 28.035 ( 1.921 -1.056 0.483) 2.245 28.827 ( -16.259 3.393 -0.285) 16.611 28.911 ( -16.966 -3.250 0.800) 17.293 29.354 ( 35.793 2.288 -0.229) 35.866 29.419 ( 36.810 -2.909 -1.676) 36.963 30.547 ( 9.058 9.605 -0.489) 13.212 30.829 ( 7.335 -14.059 -1.975) 15.980 31.832 ( -3.043 15.043 -2.687) 15.582 32.091 ( 1.665 -6.165 -2.131) 6.732 32.299 ( -8.319 2.048 3.598) 9.293 32.397 ( -14.168 -6.149 2.959) 15.725 35.723 ( 13.470 4.257 0.787) 14.149 35.846 ( 14.702 -5.823 2.012) 15.941 36.323 ( 23.513 7.606 0.376) 24.715 36.508 ( 25.745 -7.780 -3.370) 27.105 37.790 ( 10.143 11.051 -3.053) 15.308 38.029 ( 8.248 -8.243 -9.677) 15.153 41.047 ( -1.676 3.119 -1.275) 3.763 41.152 ( -2.089 -5.809 -1.044) 6.261 41.776 ( -3.795 14.526 -0.955) 15.044 42.154 ( -8.732 -17.230 0.153) 19.317 43.193 ( -18.539 13.777 -1.679) 23.159 43.461 ( -23.789 -8.659 -2.678) 25.457 ======================= Grid point 126 (78/100) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 9.926 1.928 -1.583) 10.235 1.819 ( 9.147 -3.832 -1.774) 10.074 2.069 ( 4.736 3.021 0.570) 5.647 2.181 ( 5.344 -2.789 2.340) 6.466 2.232 ( 3.109 1.067 1.552) 3.635 2.377 ( 3.621 -7.052 1.295) 8.033 2.742 ( 5.783 7.663 4.080) 10.431 2.799 ( 8.270 2.426 1.731) 8.791 2.886 ( 10.225 9.338 -1.016) 13.884 3.134 ( 3.956 -10.871 1.188) 11.630 3.258 ( -0.067 -0.462 -2.516) 2.559 3.292 ( -2.957 -2.197 -5.295) 6.451 3.453 ( -2.776 5.281 1.819) 6.237 3.531 ( -3.510 -1.200 4.161) 5.574 3.595 ( -9.358 0.901 -2.794) 9.808 3.665 ( -2.007 -4.605 -3.882) 6.348 4.154 ( 7.179 2.683 5.312) 9.324 4.196 ( 6.284 -2.003 2.500) 7.053 4.405 ( 4.020 5.827 -0.578) 7.103 4.536 ( 3.294 -5.685 -4.486) 7.956 4.911 ( 18.188 5.443 0.281) 18.987 5.011 ( 17.224 -2.544 2.005) 17.526 5.278 ( -1.417 2.794 -5.625) 6.439 5.353 ( -2.374 -2.978 -8.562) 9.371 6.236 ( -2.776 0.422 -1.032) 2.992 6.300 ( -1.444 -4.430 -2.538) 5.306 6.474 ( -1.229 5.036 -7.698) 9.281 6.604 ( -0.098 -5.910 -7.023) 9.179 6.836 ( 5.651 4.886 3.361) 8.192 6.963 ( 3.359 -6.145 4.849) 8.518 7.422 ( 21.038 7.555 0.460) 22.358 7.552 ( 22.168 -3.718 -2.310) 22.596 7.658 ( 24.987 1.479 1.189) 25.059 7.700 ( 17.522 -2.116 2.072) 17.770 8.668 ( -3.860 6.186 -1.538) 7.452 8.795 ( -6.765 -4.058 -1.617) 8.053 9.608 ( 15.336 2.220 -2.544) 15.704 9.680 ( 14.043 -3.593 -4.133) 15.073 10.374 ( 17.529 3.985 -1.932) 18.079 10.467 ( 21.600 -3.513 -3.784) 22.209 10.838 ( -0.917 0.968 16.642) 16.696 10.864 ( -0.757 -1.098 17.222) 17.274 11.317 ( 4.151 1.137 0.053) 4.304 11.351 ( 7.662 -1.616 0.540) 7.849 12.258 ( 5.537 1.696 -0.052) 5.791 12.295 ( 7.026 -1.259 0.178) 7.141 12.463 ( 5.795 1.310 -2.619) 6.493 12.500 ( 7.272 -1.643 -4.453) 8.684 13.439 ( -9.318 2.055 -1.606) 9.676 13.490 ( -9.355 -1.991 -1.998) 9.771 14.089 ( 1.841 2.430 1.636) 3.460 14.151 ( 1.991 -2.588 0.740) 3.348 14.344 ( 2.630 1.363 -0.720) 3.049 14.378 ( 3.268 -1.396 -0.465) 3.584 15.409 ( 13.390 4.282 -7.467) 15.918 15.510 ( 13.675 -3.816 -4.979) 15.046 15.951 ( -17.549 1.721 0.444) 17.638 15.995 ( -16.950 -1.782 1.916) 17.151 17.022 ( -5.341 2.769 8.242) 10.204 17.092 ( -5.574 -2.811 8.717) 10.722 17.982 ( -1.583 1.162 -1.210) 2.307 18.008 ( -1.890 -0.925 -0.554) 2.175 18.343 ( -6.952 1.947 -1.512) 7.376 18.395 ( -8.461 -2.198 -1.276) 8.835 20.103 ( -12.626 1.669 0.210) 12.738 20.129 ( -9.222 -0.334 -0.201) 9.230 20.163 ( -6.891 0.445 -0.623) 6.933 20.187 ( -12.954 -1.349 1.094) 13.070 20.552 ( -4.925 0.881 0.305) 5.013 20.582 ( -6.460 -1.482 0.438) 6.642 20.960 ( 4.579 4.099 1.750) 6.390 21.074 ( 4.782 -5.172 1.054) 7.122 21.605 ( -0.603 6.782 0.723) 6.847 21.750 ( 0.925 -4.783 0.180) 4.875 21.970 ( -1.027 1.329 -0.801) 1.861 22.022 ( -1.977 -3.057 -0.426) 3.665 23.052 ( 17.323 2.987 0.558) 17.588 23.114 ( 16.148 -1.998 -1.452) 16.336 26.058 ( -2.933 1.449 -1.494) 3.596 26.101 ( -5.926 -1.999 -2.683) 6.805 26.399 ( -24.481 1.957 0.017) 24.559 26.441 ( -24.553 -1.395 0.093) 24.592 27.525 ( -11.687 1.112 -0.550) 11.753 27.564 ( -13.144 -2.033 0.619) 13.315 28.018 ( 0.483 2.122 0.043) 2.176 28.061 ( 0.491 -1.305 0.192) 1.408 28.543 ( -13.468 3.028 0.010) 13.805 28.620 ( -14.432 -3.041 1.306) 14.806 30.020 ( 32.220 2.224 0.771) 32.306 30.088 ( 32.211 -3.361 0.716) 32.393 30.758 ( 13.192 8.558 -0.147) 15.725 30.999 ( 11.036 -11.802 -1.341) 16.214 31.733 ( -5.442 14.406 -3.472) 15.786 32.027 ( -10.344 -9.932 -3.521) 14.766 32.207 ( -1.790 0.495 1.211) 2.217 32.224 ( -1.318 -0.820 2.898) 3.288 35.940 ( 8.675 5.000 0.136) 10.014 36.084 ( 8.915 -6.726 1.590) 11.281 36.800 ( 25.053 8.773 2.579) 26.669 37.008 ( 27.171 -8.327 0.061) 28.418 38.028 ( 15.438 7.361 -0.333) 17.106 38.187 ( 12.945 -5.477 -8.287) 16.317 41.017 ( -1.120 2.847 0.331) 3.077 41.108 ( -2.177 -4.766 0.013) 5.240 41.689 ( -4.399 10.819 -1.835) 11.822 41.963 ( -10.787 -11.791 -1.426) 16.044 42.801 ( -20.599 8.231 -4.136) 22.564 42.966 ( -25.814 -5.423 -4.267) 26.720 ======================= Grid point 127 (79/100) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 9.766 1.127 -3.016) 10.283 1.970 ( 7.808 -2.200 -3.528) 8.846 2.156 ( 3.575 1.942 0.890) 4.165 2.244 ( 1.932 -5.893 0.253) 6.206 2.353 ( 6.852 3.531 1.709) 7.896 2.444 ( 3.049 -3.760 -2.405) 5.405 2.709 ( -5.646 8.189 1.906) 10.128 2.840 ( -2.993 -1.814 -1.098) 3.668 3.034 ( 2.074 3.498 -4.446) 6.026 3.112 ( -4.486 -1.945 -3.567) 6.052 3.261 ( 0.282 0.134 -2.180) 2.203 3.313 ( 2.578 -1.971 -0.119) 3.248 3.416 ( -0.387 2.392 0.435) 2.462 3.502 ( 2.462 -1.352 1.058) 3.001 3.560 ( 3.909 0.832 3.362) 5.223 3.637 ( 2.019 -2.861 -2.469) 4.285 4.255 ( 0.084 1.946 1.258) 2.319 4.277 ( 2.303 1.108 3.743) 4.533 4.402 ( -2.774 0.544 0.799) 2.937 4.447 ( -7.869 -3.489 -4.463) 9.696 5.162 ( 0.544 0.694 -3.719) 3.822 5.210 ( 2.156 -3.029 -5.090) 6.303 5.369 ( 16.865 4.013 -0.366) 17.339 5.411 ( 16.380 0.494 0.316) 16.391 6.092 ( -9.635 1.123 -1.754) 9.857 6.163 ( -8.049 -4.283 -4.132) 10.010 6.343 ( -8.370 3.308 -7.426) 11.668 6.429 ( -10.764 -3.663 -6.703) 13.199 6.935 ( 4.188 4.292 4.883) 7.733 7.038 ( 3.232 -4.061 4.906) 7.142 7.770 ( 15.046 4.272 0.818) 15.662 7.883 ( 14.427 -5.482 -2.070) 15.571 8.074 ( 15.392 3.691 1.343) 15.885 8.147 ( 18.478 -1.195 1.111) 18.550 8.537 ( -9.736 3.147 -1.069) 10.288 8.617 ( -10.506 -3.022 -1.098) 10.987 9.940 ( 19.367 1.668 -1.176) 19.475 9.993 ( 19.613 -2.732 -2.106) 19.914 10.672 ( 11.735 6.039 -2.293) 13.395 10.806 ( 14.028 -4.992 -4.570) 15.575 10.974 ( 5.639 0.941 15.831) 16.831 10.992 ( 4.458 -0.502 16.454) 17.055 11.515 ( 18.657 3.662 -0.882) 19.034 11.623 ( 20.736 -5.003 0.768) 21.345 12.343 ( 3.006 2.905 4.581) 6.202 12.407 ( 3.332 -2.263 4.910) 6.351 12.648 ( 16.110 1.194 -6.691) 17.485 12.680 ( 14.764 -1.335 -7.453) 16.592 13.275 ( -6.934 1.605 -1.489) 7.272 13.316 ( -7.772 -1.631 -2.375) 8.289 14.110 ( 0.070 1.962 -0.471) 2.019 14.162 ( -0.615 -2.225 -1.145) 2.577 14.423 ( 6.020 1.789 -0.534) 6.303 14.465 ( 6.243 -1.613 -0.610) 6.477 15.632 ( 8.332 2.390 -2.243) 8.953 15.651 ( -7.655 0.790 -0.324) 7.702 15.738 ( -6.362 -0.452 1.257) 6.501 15.769 ( 9.458 -2.356 -0.615) 9.766 16.979 ( -2.897 2.346 7.468) 8.346 17.038 ( -3.887 -2.315 7.623) 8.864 17.844 ( -12.585 2.040 -0.888) 12.780 17.893 ( -11.460 -1.853 0.001) 11.609 18.181 ( -9.388 0.597 -1.606) 9.543 18.200 ( -11.044 -0.920 -2.069) 11.273 19.819 ( -14.266 1.592 0.244) 14.357 19.860 ( -15.242 -1.690 0.815) 15.357 19.936 ( -13.658 2.163 -1.191) 13.879 19.985 ( -12.148 -1.806 -1.902) 12.428 20.458 ( -5.168 0.613 -0.128) 5.205 20.480 ( -3.496 -1.135 0.076) 3.677 21.065 ( 4.096 3.703 1.704) 5.779 21.174 ( 3.983 -5.489 1.083) 6.868 21.589 ( -1.005 7.886 0.017) 7.950 21.750 ( -0.715 -5.255 -0.207) 5.307 21.950 ( -0.627 0.758 -0.475) 1.093 21.980 ( -1.971 -1.720 -0.381) 2.643 23.453 ( 24.502 2.398 0.389) 24.622 23.508 ( 25.381 -1.954 -0.333) 25.458 25.883 ( -28.551 1.676 0.007) 28.601 25.927 ( -27.887 -1.861 0.078) 27.949 26.029 ( -0.791 1.040 -2.666) 2.969 26.051 ( 0.444 -0.713 -1.829) 2.013 27.306 ( -10.898 0.583 -0.815) 10.944 27.328 ( -11.326 -1.189 -0.313) 11.392 28.016 ( -0.585 1.863 0.096) 1.955 28.056 ( -0.905 -1.381 0.176) 1.660 28.324 ( -9.697 2.248 0.158) 9.956 28.381 ( -11.302 -2.232 0.951) 11.560 30.516 ( 19.322 2.047 1.052) 19.459 30.581 ( 18.702 -3.358 1.979) 19.104 31.014 ( 12.926 7.148 0.436) 14.777 31.204 ( 10.223 -9.036 -0.562) 13.656 31.627 ( -3.181 8.541 -3.363) 9.715 31.788 ( -10.697 -5.053 -3.875) 12.449 32.234 ( 3.965 2.430 1.021) 4.761 32.302 ( 6.145 -2.959 1.337) 6.950 36.050 ( 3.378 5.214 -0.353) 6.222 36.198 ( 3.062 -6.765 0.927) 7.483 37.245 ( 19.885 10.037 3.248) 22.510 37.492 ( 22.382 -10.029 2.967) 24.705 38.326 ( 14.639 5.179 1.234) 15.577 38.429 ( 15.835 -3.289 -5.766) 17.170 41.014 ( 0.439 2.001 1.825) 2.743 41.076 ( -1.277 -3.094 0.946) 3.478 41.603 ( -3.617 6.190 -1.698) 7.368 41.751 ( -10.398 -5.797 -1.842) 12.046 42.409 ( -18.088 3.419 -5.355) 19.172 42.486 ( -21.901 -2.761 -5.617) 22.778 ======================= Grid point 128 (80/100) ======================= q-point: ( 0.42 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 5.451 -0.017 -4.203) 6.883 2.067 ( 4.669 -0.247 -5.070) 6.897 2.204 ( 1.401 1.433 0.539) 2.075 2.252 ( -1.185 -2.813 -0.190) 3.058 2.443 ( 0.128 2.252 -0.691) 2.359 2.472 ( 2.640 -0.549 -1.743) 3.211 2.602 ( -5.214 5.944 -0.043) 7.907 2.732 ( -7.735 -4.476 0.092) 8.937 2.979 ( -2.511 2.260 -6.533) 7.355 3.047 ( -0.367 -2.922 -1.343) 3.237 3.230 ( -1.074 2.322 -6.062) 6.580 3.288 ( -3.165 -2.636 -8.657) 9.587 3.436 ( 3.413 3.349 -3.130) 5.715 3.539 ( 1.005 -4.497 -3.955) 6.072 3.725 ( 8.489 1.704 9.182) 12.621 3.758 ( 8.065 -1.095 8.157) 11.523 4.223 ( -2.407 2.265 1.186) 3.512 4.279 ( -5.797 -2.288 1.903) 6.517 4.300 ( -2.027 0.973 0.837) 2.399 4.349 ( -4.323 -2.760 0.969) 5.220 5.113 ( -1.220 4.314 -5.822) 7.348 5.206 ( 1.214 -3.283 -5.362) 6.403 5.689 ( 11.017 1.932 2.251) 11.410 5.698 ( 12.036 1.547 1.059) 12.181 5.899 ( -8.396 2.181 -1.928) 8.886 5.998 ( -6.757 -5.471 -4.092) 9.609 6.190 ( -2.382 2.774 -6.602) 7.547 6.242 ( -4.932 -1.687 -5.785) 7.787 7.056 ( 6.244 2.800 4.610) 8.251 7.125 ( 3.534 -2.786 4.333) 6.247 7.977 ( 5.683 3.723 1.670) 6.997 8.079 ( 7.317 -4.953 -0.341) 8.842 8.202 ( -1.767 2.679 0.859) 3.322 8.280 ( -10.192 -2.647 0.851) 10.564 8.391 ( 2.954 2.875 -0.369) 4.138 8.460 ( -3.036 -2.488 -1.316) 4.140 10.257 ( 12.530 1.919 2.514) 12.923 10.317 ( 12.999 -3.024 2.042) 13.501 10.773 ( 1.738 7.753 -2.237) 8.255 10.944 ( 4.013 -6.209 -4.653) 8.735 11.133 ( 3.690 0.599 9.300) 10.024 11.142 ( 3.880 -0.256 11.038) 11.703 11.921 ( 20.026 3.918 -1.847) 20.489 12.027 ( 18.305 -4.558 -0.103) 18.864 12.420 ( 1.934 2.675 7.728) 8.403 12.479 ( 1.558 -2.109 6.333) 6.855 12.944 ( 15.222 -0.069 -9.413) 17.898 12.952 ( 17.177 -0.637 -8.455) 19.155 13.173 ( -3.112 0.613 -1.017) 3.330 13.185 ( -4.489 -0.298 -2.146) 4.985 14.098 ( -0.048 1.235 -2.253) 2.570 14.131 ( -1.169 -1.429 -2.501) 3.108 14.543 ( 5.671 1.980 0.056) 6.007 14.590 ( 5.966 -1.705 -0.304) 6.213 15.546 ( -0.479 1.798 0.297) 1.885 15.595 ( -1.180 -2.242 0.901) 2.689 15.896 ( 9.680 3.098 2.736) 10.525 15.962 ( 7.431 -2.260 3.530) 8.532 16.981 ( -1.263 1.658 7.201) 7.497 17.024 ( -1.459 -1.776 6.648) 7.034 17.537 ( -17.223 2.421 -0.013) 17.392 17.597 ( -17.255 -2.373 -0.025) 17.417 17.984 ( -8.645 0.303 -3.169) 9.213 17.995 ( -7.999 -0.612 -3.985) 8.958 19.624 ( -6.400 1.358 -0.142) 6.544 19.654 ( -6.993 -0.962 0.231) 7.063 19.681 ( -10.809 1.534 -1.424) 11.010 19.725 ( -12.401 -1.870 -2.446) 12.777 20.386 ( -2.414 1.687 -0.172) 2.950 20.432 ( -1.737 -1.957 -0.296) 2.634 21.119 ( 1.249 3.393 1.162) 3.798 21.223 ( 1.047 -5.513 0.729) 5.659 21.573 ( -0.669 7.917 -0.177) 7.947 21.732 ( -0.861 -5.329 -0.139) 5.400 21.941 ( -0.216 0.178 -0.299) 0.409 21.950 ( -0.994 -0.531 -0.394) 1.194 23.954 ( 27.381 2.689 0.113) 27.513 24.019 ( 27.209 -2.464 0.417) 27.324 25.333 ( -28.339 2.089 -0.219) 28.416 25.387 ( -27.937 -2.188 0.345) 28.025 26.034 ( 1.462 1.729 -2.427) 3.319 26.075 ( 1.732 -1.527 -1.856) 2.963 27.126 ( -7.146 0.865 -0.655) 7.228 27.151 ( -6.968 -1.080 -0.716) 7.088 28.004 ( -0.610 1.302 0.339) 1.477 28.034 ( -1.439 -1.079 0.395) 1.842 28.185 ( -4.917 1.138 0.102) 5.048 28.214 ( -6.390 -1.124 0.313) 6.496 30.762 ( 7.180 1.787 0.725) 7.435 30.820 ( 6.907 -3.033 1.375) 7.668 31.214 ( 7.320 5.563 0.681) 9.219 31.339 ( 3.575 -4.479 0.056) 5.731 31.602 ( 1.686 0.503 -2.507) 3.062 31.620 ( -5.042 -0.890 -3.485) 6.193 32.335 ( 5.280 4.029 0.507) 6.661 32.432 ( 6.318 -3.708 0.856) 7.375 36.081 ( 0.502 5.218 -0.372) 5.255 36.228 ( 0.185 -6.635 0.714) 6.676 37.556 ( 11.144 11.177 2.855) 16.040 37.848 ( 13.124 -12.776 3.447) 18.637 38.561 ( 9.757 6.985 0.011) 12.000 38.689 ( 12.554 -3.761 -2.995) 13.443 41.054 ( 2.634 0.499 2.761) 3.848 41.074 ( 0.526 -1.147 1.479) 1.944 41.544 ( -1.985 1.572 -0.742) 2.639 41.570 ( -7.625 -0.531 -1.276) 7.749 42.077 ( -14.493 1.362 -4.764) 15.317 42.117 ( -13.752 -1.796 -6.122) 15.160 ======================= Grid point 129 (81/100) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.101 0.440 -6.089) 6.847 2.072 ( -3.158 -0.898 -5.118) 6.081 2.224 ( -1.591 0.878 1.803) 2.560 2.236 ( 1.100 -0.015 1.686) 2.013 2.426 ( -1.290 4.066 -0.336) 4.279 2.456 ( -1.802 3.654 1.704) 4.417 2.553 ( -1.615 -2.642 -0.683) 3.171 2.588 ( -5.778 -3.825 0.344) 6.938 2.928 ( -0.996 2.942 -5.144) 6.009 3.011 ( -1.431 -3.887 -5.019) 6.508 3.170 ( -1.141 1.017 -7.759) 7.908 3.186 ( -2.264 -0.618 -12.283) 12.505 3.487 ( 1.862 1.342 0.528) 2.355 3.530 ( 0.337 -1.636 -1.829) 2.477 3.925 ( 8.066 1.173 9.932) 12.848 3.974 ( 9.294 -2.570 9.346) 13.429 4.197 ( -2.474 -0.373 0.780) 2.621 4.213 ( -3.169 -1.210 0.854) 3.498 4.242 ( -3.637 0.637 1.704) 4.067 4.270 ( -3.004 -2.156 1.852) 4.136 5.075 ( -0.142 7.203 -5.277) 8.931 5.197 ( 0.059 -2.632 -5.070) 5.713 5.780 ( 0.916 1.137 -0.523) 1.551 5.807 ( -0.007 1.377 -0.534) 1.477 5.832 ( 1.791 0.408 -0.302) 1.862 5.893 ( -1.921 -4.261 -3.927) 6.105 6.177 ( 0.556 0.998 -4.083) 4.240 6.189 ( 0.956 0.265 -4.025) 4.145 7.176 ( 2.622 1.275 3.440) 4.509 7.198 ( 1.806 -0.372 2.893) 3.431 7.976 ( -3.483 4.242 -0.316) 5.497 8.093 ( -5.457 -4.917 2.039) 7.623 8.169 ( -1.002 -0.058 3.779) 3.910 8.191 ( 2.563 -2.272 2.138) 4.038 8.413 ( 0.401 2.673 -0.712) 2.795 8.472 ( 1.921 -1.962 -2.830) 3.943 10.405 ( 1.289 1.913 2.903) 3.708 10.465 ( 0.886 -2.993 2.993) 4.325 10.762 ( -1.573 8.403 -1.559) 8.690 10.947 ( -1.188 -6.667 -3.996) 7.863 11.198 ( -0.114 1.053 5.698) 5.795 11.221 ( 0.414 -0.876 6.947) 7.014 12.116 ( 0.381 4.368 -1.975) 4.809 12.225 ( 1.639 -4.304 -1.231) 4.767 12.479 ( 0.201 1.587 8.068) 8.225 12.521 ( -0.380 -1.752 6.308) 6.557 13.067 ( 2.527 0.184 -7.760) 8.163 13.081 ( 0.651 -0.783 -4.525) 4.639 13.152 ( -0.050 0.690 -2.991) 3.070 13.163 ( 1.847 -0.212 -6.647) 6.902 14.114 ( 2.831 0.293 -3.630) 4.613 14.121 ( 2.890 -0.289 -4.147) 5.063 14.598 ( -0.467 1.752 0.531) 1.889 14.639 ( -1.284 -1.544 0.708) 2.129 15.577 ( 1.024 1.562 -0.373) 1.905 15.618 ( 0.961 -1.680 0.000) 1.936 15.999 ( -2.625 1.968 6.198) 7.013 16.041 ( -2.519 -1.462 6.557) 7.175 16.962 ( -4.592 2.018 8.136) 9.557 17.016 ( -3.297 -2.204 6.801) 7.873 17.342 ( 0.053 2.377 0.251) 2.390 17.401 ( 0.273 -2.319 -0.021) 2.335 17.921 ( 5.182 0.121 -6.605) 8.396 17.929 ( 5.809 -0.498 -6.739) 8.911 19.531 ( -1.912 0.704 -0.781) 2.182 19.553 ( -2.172 -0.738 -0.726) 2.407 19.579 ( -0.057 1.243 -0.651) 1.404 19.613 ( 0.569 -1.235 -0.005) 1.360 20.362 ( -0.102 1.881 -0.135) 1.889 20.412 ( -0.190 -2.099 -0.257) 2.123 21.134 ( 0.044 3.203 0.861) 3.317 21.233 ( -0.147 -5.276 0.571) 5.308 21.561 ( -0.490 7.825 0.036) 7.840 21.720 ( -0.393 -5.419 0.139) 5.435 21.935 ( -0.201 0.126 -0.254) 0.348 21.940 ( -0.031 -0.227 -0.275) 0.358 24.333 ( 0.900 1.907 -0.173) 2.116 24.377 ( 1.198 -1.544 0.130) 1.958 24.957 ( -1.380 2.546 0.095) 2.897 25.025 ( 0.177 -2.881 0.196) 2.893 26.033 ( -1.038 1.833 -1.655) 2.679 26.076 ( -0.993 -1.622 -1.390) 2.355 27.051 ( -0.360 0.885 -0.205) 0.977 27.074 ( -0.635 -0.906 -0.330) 1.155 28.000 ( -0.038 0.718 0.488) 0.869 28.016 ( -0.347 -0.610 0.656) 0.961 28.143 ( 0.451 0.343 -0.090) 0.574 28.152 ( -0.168 -0.350 -0.057) 0.393 30.829 ( 0.363 1.993 0.328) 2.052 30.895 ( 1.272 -3.469 0.347) 3.711 31.285 ( -0.022 4.209 0.634) 4.256 31.358 ( -0.741 -1.839 0.674) 2.094 31.552 ( -1.570 1.905 -2.263) 3.349 31.622 ( 0.220 -3.679 -1.919) 4.156 32.402 ( 1.168 5.053 -0.276) 5.194 32.520 ( 2.400 -4.408 -0.425) 5.037 36.076 ( -0.735 5.216 0.017) 5.267 36.224 ( -0.861 -6.657 0.961) 6.780 37.682 ( 0.839 11.975 1.978) 12.166 38.005 ( 2.027 -14.904 2.009) 15.175 38.679 ( 2.707 9.185 -1.553) 9.701 38.840 ( 4.772 -4.665 -4.064) 7.813 41.107 ( 2.080 0.407 0.840) 2.280 41.130 ( 3.742 -1.489 1.727) 4.382 41.472 ( -1.808 3.114 0.363) 3.619 41.532 ( 1.102 -1.628 0.214) 1.978 41.846 ( -7.593 1.915 -2.095) 8.106 41.900 ( -7.078 -2.333 -3.315) 8.156 ======================= Grid point 130 (82/100) ======================= q-point: (-0.42 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -8.522 0.447 -1.887) 8.740 1.933 ( -8.901 -0.748 -1.516) 9.060 2.189 ( -3.066 1.861 1.882) 4.050 2.243 ( -1.734 -2.379 2.601) 3.929 2.380 ( -3.697 3.870 -0.634) 5.389 2.452 ( -1.811 2.871 2.722) 4.351 2.508 ( -0.552 -2.726 0.272) 2.795 2.577 ( 2.538 -3.629 6.659) 7.997 2.886 ( -0.729 3.986 -4.159) 5.807 2.980 ( 0.018 -3.454 -3.652) 5.027 3.097 ( -2.898 1.618 -5.411) 6.348 3.132 ( 2.248 -1.289 -6.727) 7.209 3.470 ( -4.186 2.807 -0.629) 5.080 3.530 ( -0.840 -2.071 -0.473) 2.285 4.067 ( -3.694 0.911 -0.724) 3.873 4.101 ( -4.599 -1.538 -6.128) 7.814 4.125 ( 5.473 1.467 6.039) 8.281 4.198 ( 5.038 -3.289 5.343) 8.047 4.240 ( 1.298 0.311 6.276) 6.416 4.291 ( 1.884 -2.217 4.944) 5.736 5.055 ( 0.371 5.660 -4.604) 7.305 5.155 ( -1.968 -2.504 -4.706) 5.682 5.738 ( -7.085 0.460 -0.538) 7.120 5.753 ( -7.245 -0.637 -0.920) 7.331 5.912 ( 9.655 1.169 -1.451) 9.833 5.931 ( 5.544 -0.317 -2.011) 5.906 6.145 ( -0.522 1.896 -4.359) 4.782 6.203 ( 4.620 -2.612 -2.430) 5.837 7.168 ( -3.095 2.201 -0.289) 3.808 7.198 ( -2.238 -0.067 0.891) 2.410 7.930 ( -4.336 2.462 1.754) 5.286 8.016 ( -6.515 -4.858 2.781) 8.590 8.185 ( -0.661 0.911 5.865) 5.972 8.218 ( -1.665 -1.872 1.836) 3.106 8.439 ( 4.381 2.590 -2.092) 5.503 8.494 ( 3.395 -1.789 -3.111) 4.940 10.310 ( -12.559 1.549 0.046) 12.655 10.354 ( -14.067 -2.052 0.301) 14.219 10.695 ( -5.668 6.884 0.766) 8.950 10.854 ( -7.951 -5.826 -1.909) 10.040 11.212 ( -0.420 1.342 5.558) 5.733 11.250 ( 0.008 -1.698 5.789) 6.033 11.928 ( -18.015 5.392 -1.763) 18.887 12.060 ( -17.222 -5.156 -1.487) 18.038 12.488 ( -4.016 0.856 7.273) 8.352 12.515 ( -3.713 -1.318 6.186) 7.334 12.967 ( -7.317 2.250 -11.802) 14.068 13.027 ( -6.621 -2.630 -11.356) 13.406 13.129 ( 2.875 1.462 -0.171) 3.230 13.157 ( 2.916 -0.766 -0.859) 3.135 14.160 ( 4.593 1.219 -4.931) 6.848 14.190 ( 5.318 -1.105 -5.767) 7.922 14.534 ( -5.954 1.113 0.457) 6.075 14.562 ( -6.325 -1.076 0.851) 6.472 15.569 ( 0.707 2.145 -0.620) 2.342 15.625 ( 1.632 -2.441 -0.374) 2.960 15.838 ( -15.892 3.597 5.825) 17.304 15.916 ( -13.311 -2.744 6.610) 15.113 16.936 ( -1.048 2.071 7.251) 7.613 16.994 ( -1.144 -2.482 6.125) 6.707 17.539 ( 17.090 2.673 -0.107) 17.298 17.606 ( 17.776 -2.666 -0.368) 17.979 18.076 ( 12.216 0.840 -6.315) 13.777 18.101 ( 12.762 -1.102 -6.702) 14.457 19.607 ( 9.313 0.775 0.573) 9.363 19.621 ( 8.766 0.300 1.318) 8.870 19.658 ( 9.648 0.203 -0.506) 9.663 19.685 ( 7.639 -1.332 -0.359) 7.762 20.381 ( 2.143 1.511 0.068) 2.624 20.422 ( 1.331 -1.791 0.025) 2.232 21.131 ( -0.940 3.147 0.749) 3.369 21.225 ( -1.102 -4.909 0.683) 5.077 21.556 ( -0.175 7.936 0.483) 7.952 21.719 ( 0.071 -5.513 0.447) 5.531 21.937 ( 0.371 0.046 -0.172) 0.412 21.942 ( 0.570 -0.343 -0.148) 0.681 23.977 ( -26.513 2.628 -0.868) 26.657 24.041 ( -26.733 -2.390 -0.400) 26.842 25.320 ( 28.680 2.676 0.362) 28.807 25.389 ( 27.731 -2.875 0.220) 27.880 25.980 ( -3.461 2.075 -0.518) 4.069 26.029 ( -3.194 -1.813 -0.441) 3.699 27.111 ( 6.439 0.521 0.397) 6.473 27.125 ( 5.815 -0.627 0.556) 5.875 28.003 ( 0.113 1.093 0.376) 1.162 28.028 ( 0.865 -0.903 0.635) 1.402 28.192 ( 5.141 1.093 -0.176) 5.259 28.220 ( 7.112 -1.126 0.069) 7.201 30.786 ( -5.340 2.707 -0.345) 5.997 30.875 ( -3.800 -4.744 -1.040) 6.167 31.230 ( -5.759 5.666 0.211) 8.082 31.338 ( -2.006 -3.248 1.063) 3.963 31.524 ( -0.248 1.613 -0.218) 1.646 31.578 ( -3.452 -2.738 -1.595) 4.685 32.371 ( -3.795 5.754 -1.049) 6.972 32.510 ( -2.690 -5.347 -2.295) 6.410 36.054 ( -1.863 5.288 0.683) 5.649 36.206 ( -1.759 -6.946 1.513) 7.323 37.605 ( -9.623 12.441 0.812) 15.750 37.942 ( -9.087 -15.793 -0.296) 18.223 38.638 ( -5.603 10.583 -4.568) 12.816 38.823 ( -3.567 -5.367 -7.868) 10.170 41.145 ( 2.085 1.098 -1.680) 2.894 41.188 ( 2.353 -2.471 -2.538) 4.252 41.508 ( 4.266 3.925 1.401) 5.964 41.572 ( 1.930 -1.246 -2.007) 3.051 41.812 ( 4.417 0.275 7.155) 8.413 41.837 ( 1.100 -1.520 4.827) 5.179 ======================= Grid point 131 (83/100) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -9.924 0.014 3.876) 10.654 1.759 ( -8.801 -0.759 3.516) 9.508 2.115 ( -6.722 2.147 3.218) 7.756 2.187 ( -6.062 -2.836 5.036) 8.375 2.296 ( -5.103 2.445 1.175) 5.779 2.394 ( -2.405 -4.723 -0.868) 5.371 2.577 ( 4.312 5.081 5.418) 8.589 2.701 ( 5.309 -4.983 10.849) 13.066 2.866 ( -0.854 5.392 -0.788) 5.516 2.940 ( -4.650 -0.500 2.511) 5.308 3.058 ( 2.469 4.449 -2.895) 5.854 3.197 ( 4.886 -5.613 -1.570) 7.605 3.344 ( -7.108 4.960 -1.085) 8.734 3.467 ( -5.520 -4.750 0.323) 7.289 3.934 ( -6.044 1.933 -7.314) 9.683 3.979 ( -3.955 -1.656 -9.379) 10.312 4.245 ( 2.275 3.000 5.647) 6.787 4.276 ( 1.759 3.269 3.700) 5.241 4.339 ( 3.122 -3.895 5.719) 7.591 4.364 ( 3.872 -3.404 4.189) 6.643 5.041 ( 0.032 1.924 -3.245) 3.773 5.089 ( -2.566 -2.079 -3.315) 4.679 5.491 ( -16.892 1.365 -3.921) 17.395 5.522 ( -16.185 -1.160 -2.762) 16.460 6.019 ( 4.726 1.385 0.719) 4.977 6.060 ( 5.147 -2.263 -1.087) 5.727 6.252 ( 12.858 5.711 -2.393) 14.271 6.393 ( 14.512 -5.836 -1.622) 15.725 7.110 ( -1.516 2.885 -3.855) 5.049 7.150 ( -2.315 -0.408 -0.469) 2.397 7.733 ( -17.660 2.301 2.272) 17.954 7.812 ( -16.702 -4.515 1.367) 17.355 8.088 ( -13.693 1.344 2.509) 13.985 8.110 ( -11.894 -0.505 1.933) 12.061 8.570 ( 8.967 1.687 -2.051) 9.352 8.608 ( 8.538 -1.328 -0.361) 8.648 9.963 ( -22.052 0.343 -1.119) 22.083 9.972 ( -23.052 -0.352 -1.543) 23.106 10.521 ( -15.242 2.746 4.512) 16.131 10.587 ( -21.143 -2.507 2.084) 21.393 11.238 ( 0.415 1.405 3.932) 4.196 11.282 ( 1.000 -2.034 3.103) 3.843 11.546 ( -17.021 4.911 -1.598) 17.787 11.671 ( -19.689 -5.035 -1.176) 20.357 12.377 ( -9.959 1.801 4.810) 11.206 12.422 ( -8.850 -1.803 4.324) 10.014 12.787 ( -4.175 2.200 -12.987) 13.818 12.847 ( -4.360 -2.545 -13.041) 13.985 13.231 ( 7.004 1.038 0.428) 7.093 13.252 ( 7.191 -0.593 0.063) 7.215 14.230 ( 5.208 0.870 -5.881) 7.903 14.252 ( 4.403 -0.894 -6.655) 8.030 14.420 ( -5.100 1.268 -0.419) 5.272 14.449 ( -5.124 -1.069 0.019) 5.234 15.470 ( -20.150 4.895 5.331) 21.410 15.589 ( -11.166 -4.449 4.379) 12.793 15.720 ( 3.525 2.406 1.039) 4.393 15.782 ( 11.033 -2.456 -0.486) 11.313 16.983 ( 2.173 2.124 5.769) 6.521 17.043 ( 3.072 -2.653 5.826) 7.100 17.834 ( 11.877 3.062 -0.421) 12.273 17.910 ( 12.037 -2.966 -0.781) 12.421 18.254 ( 8.491 1.138 -3.991) 9.451 18.285 ( 9.218 -1.333 -4.398) 10.300 19.831 ( 15.119 2.122 -0.156) 15.268 19.879 ( 15.616 -1.132 1.395) 15.719 19.902 ( 15.536 0.040 -0.857) 15.560 19.923 ( 15.305 -0.882 0.392) 15.335 20.446 ( 4.722 0.324 0.346) 4.745 20.463 ( 2.998 -0.981 0.670) 3.224 21.095 ( -3.579 3.366 0.619) 4.952 21.187 ( -3.556 -4.250 0.616) 5.575 21.564 ( 0.833 7.778 1.001) 7.887 21.726 ( 0.362 -5.239 0.805) 5.313 21.944 ( 0.592 0.407 -0.332) 0.791 21.967 ( 2.019 -1.524 0.019) 2.530 23.487 ( -23.689 2.028 -0.999) 23.797 23.532 ( -25.308 -1.515 -1.335) 25.388 25.869 ( 25.655 1.003 0.549) 25.680 25.892 ( 11.168 -0.723 1.155) 11.251 25.963 ( 15.591 0.579 0.203) 15.603 25.981 ( 1.344 -0.800 0.467) 1.632 27.275 ( 9.948 0.517 0.883) 10.000 27.296 ( 11.757 -1.192 1.518) 11.914 28.007 ( 0.073 1.607 0.434) 1.666 28.044 ( 0.383 -1.334 0.670) 1.541 28.337 ( 10.037 2.907 -0.269) 10.453 28.406 ( 12.216 -2.599 -0.075) 12.489 30.587 ( -16.262 3.781 -2.102) 16.828 30.708 ( -13.751 -6.486 -3.022) 15.501 31.075 ( -10.279 8.059 -2.462) 13.291 31.251 ( -7.670 -7.048 -2.382) 10.685 31.525 ( -0.472 3.535 0.866) 3.670 31.588 ( 6.618 -1.872 4.836) 8.408 32.277 ( -4.550 5.080 -0.938) 6.884 32.413 ( -5.415 -5.707 -3.344) 8.549 36.005 ( -4.195 5.371 1.452) 6.968 36.163 ( -4.088 -7.455 2.145) 8.769 37.335 ( -18.738 12.336 -0.481) 22.439 37.662 ( -19.605 -15.131 -3.570) 25.021 38.434 ( -12.362 11.648 -7.637) 18.623 38.643 ( -9.725 -6.164 -12.878) 17.274 41.176 ( 2.603 0.621 -3.871) 4.706 41.197 ( 1.181 -1.055 -6.903) 7.083 41.571 ( 0.011 2.054 -1.507) 2.548 41.615 ( 5.928 -1.351 3.397) 6.965 42.001 ( 11.631 3.313 13.652) 18.238 42.086 ( 17.354 -3.412 13.842) 22.460 ======================= Grid point 132 (84/100) ======================= q-point: (-0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -7.618 1.511 6.231) 9.957 1.646 ( -6.231 -2.211 7.046) 9.662 1.953 ( -12.500 3.595 6.015) 14.331 2.069 ( -9.714 -4.648 8.213) 13.544 2.219 ( -3.326 5.081 2.628) 6.617 2.370 ( -0.159 -6.214 -1.019) 6.299 2.673 ( 1.994 5.705 5.288) 8.030 2.764 ( -5.072 0.370 0.042) 5.086 2.830 ( -4.265 2.828 2.342) 5.628 2.912 ( -0.450 -4.782 10.334) 11.396 3.113 ( -0.321 5.003 3.779) 6.278 3.185 ( -1.030 4.262 7.157) 8.393 3.341 ( 1.142 -5.905 0.149) 6.016 3.382 ( 0.960 -5.105 4.927) 7.159 3.791 ( -4.196 4.453 -10.073) 11.786 3.875 ( -2.122 -2.148 -9.820) 10.274 4.241 ( -4.451 2.694 1.867) 5.528 4.274 ( -4.409 0.967 1.287) 4.694 4.389 ( -0.663 0.712 3.620) 3.749 4.446 ( 1.534 -3.316 2.205) 4.267 5.016 ( -3.119 0.526 -0.308) 3.178 5.047 ( -1.146 -1.862 -0.468) 2.236 5.122 ( -17.362 1.689 -7.191) 18.868 5.163 ( -17.856 -1.791 -3.896) 18.363 6.116 ( 2.803 0.754 3.132) 4.270 6.155 ( 4.491 -2.597 1.390) 5.370 6.385 ( -2.225 4.875 -1.775) 5.645 6.523 ( -8.281 -6.681 -0.292) 10.644 7.037 ( -7.994 4.692 -6.783) 11.486 7.145 ( -0.540 -3.933 -3.838) 5.522 7.368 ( -15.005 4.254 3.364) 15.955 7.468 ( -13.201 -4.187 1.602) 13.941 7.719 ( -23.140 3.367 -1.034) 23.406 7.782 ( -18.482 -1.943 -1.386) 18.636 8.686 ( 3.435 3.572 -2.402) 5.507 8.757 ( 6.223 -2.010 0.610) 6.568 9.574 ( -16.178 0.641 0.541) 16.199 9.597 ( -14.990 -1.118 -2.295) 15.205 10.160 ( -22.164 1.417 7.276) 23.371 10.193 ( -19.711 -1.224 7.939) 21.285 11.252 ( -0.102 1.577 -0.006) 1.581 11.298 ( -0.498 -2.132 -0.625) 2.277 11.357 ( -2.993 1.419 -1.520) 3.644 11.399 ( -8.275 -1.898 -1.413) 8.607 12.213 ( -8.042 2.033 1.719) 8.471 12.262 ( -8.324 -1.864 1.092) 8.600 12.673 ( -2.597 2.103 -11.730) 12.197 12.731 ( -2.541 -2.525 -12.432) 12.938 13.391 ( 9.619 1.174 0.338) 9.696 13.417 ( 9.706 -0.950 0.990) 9.803 14.288 ( 3.740 0.002 -7.569) 8.443 14.291 ( 2.886 -0.343 -6.739) 7.339 14.356 ( -1.062 1.392 -2.172) 2.790 14.380 ( -2.138 -0.519 -0.834) 2.353 15.122 ( -18.365 6.404 6.196) 20.412 15.287 ( -18.392 -6.713 6.121) 20.513 15.967 ( 17.130 3.692 -0.141) 17.524 16.057 ( 17.185 -3.575 -1.041) 17.584 17.060 ( 3.011 3.112 5.465) 6.972 17.145 ( 4.282 -3.633 5.802) 8.075 17.959 ( 2.307 2.712 -0.346) 3.577 18.023 ( 1.073 -2.312 -1.222) 2.826 18.362 ( 4.984 1.947 -1.776) 5.637 18.416 ( 6.491 -2.305 -1.662) 7.086 20.114 ( 11.213 0.732 -0.563) 11.251 20.125 ( 8.646 -0.255 -0.061) 8.650 20.175 ( 13.597 2.166 -0.930) 13.799 20.232 ( 15.709 -2.127 -0.657) 15.866 20.531 ( 4.267 0.811 0.902) 4.436 20.564 ( 6.237 -1.886 0.916) 6.580 21.001 ( -5.545 4.131 0.358) 6.924 21.101 ( -4.687 -3.701 -0.025) 5.972 21.594 ( 1.373 6.279 1.231) 6.544 21.732 ( -0.537 -4.405 0.906) 4.529 21.958 ( 1.074 1.189 -0.455) 1.666 22.011 ( 2.341 -3.210 -0.161) 3.976 23.092 ( -17.961 2.096 -0.551) 18.091 23.130 ( -15.066 -0.940 -2.741) 15.342 25.952 ( 4.310 0.394 2.965) 5.246 25.967 ( 2.631 -0.788 2.806) 3.927 26.401 ( 24.325 1.704 0.014) 24.385 26.439 ( 24.109 -1.302 0.253) 24.145 27.487 ( 11.646 2.040 1.350) 11.900 27.560 ( 14.936 -3.992 1.194) 15.506 28.003 ( -0.924 1.919 0.663) 2.231 28.044 ( -0.918 -1.364 0.873) 1.862 28.560 ( 13.860 4.836 -0.585) 14.691 28.668 ( 15.567 -3.805 -0.658) 16.039 30.134 ( -29.976 5.295 -4.481) 30.768 30.300 ( -27.726 -8.708 -7.562) 30.029 30.826 ( -13.195 10.035 -4.719) 17.236 31.058 ( -9.612 -10.182 -4.666) 14.759 31.582 ( 4.843 11.382 3.779) 12.934 31.808 ( 12.467 -7.361 7.311) 16.219 32.231 ( 0.525 2.404 0.711) 2.562 32.310 ( -3.198 -4.031 -2.025) 5.529 35.898 ( -8.309 5.314 1.897) 10.044 36.057 ( -8.711 -7.774 2.451) 11.930 36.911 ( -25.129 10.650 -1.822) 27.353 37.173 ( -29.156 -11.319 -7.274) 32.111 38.136 ( -14.127 12.122 -8.298) 20.381 38.370 ( -10.770 -7.184 -16.457) 20.939 41.178 ( 0.858 0.720 -8.052) 8.129 41.203 ( 2.377 -1.371 -5.192) 5.873 41.586 ( 1.707 6.636 2.019) 7.143 41.770 ( 7.790 -8.687 7.172) 13.696 42.365 ( 18.516 9.390 17.043) 26.861 42.556 ( 24.269 -6.423 16.273) 29.917 ======================= Grid point 133 (85/100) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -3.115 2.512 7.390) 8.404 1.565 ( -7.161 -0.712 7.214) 10.190 1.735 ( -12.348 7.484 7.426) 16.237 1.930 ( -8.503 -8.268 10.468) 15.819 2.190 ( -2.458 7.707 3.147) 8.680 2.348 ( -3.058 -5.489 1.347) 6.426 2.574 ( -14.185 2.889 -3.789) 14.964 2.657 ( -10.682 -2.781 -0.301) 11.042 2.692 ( -5.086 6.854 0.465) 8.548 2.874 ( -4.287 -7.489 2.809) 9.075 3.121 ( -3.873 4.384 13.976) 15.151 3.287 ( 1.686 -8.016 10.621) 13.413 3.361 ( 3.509 6.368 8.368) 11.086 3.519 ( 4.037 -5.602 11.413) 13.339 3.701 ( -0.618 6.361 -8.833) 10.902 3.821 ( 0.942 -3.011 -6.745) 7.446 4.094 ( -14.777 0.795 -2.989) 15.097 4.098 ( -10.551 1.396 -2.905) 11.033 4.303 ( -9.923 2.228 -0.223) 10.173 4.374 ( -9.865 -3.754 -4.283) 11.391 4.734 ( -14.629 1.835 -9.023) 17.286 4.788 ( -15.293 -2.951 -4.441) 16.196 5.031 ( -1.221 2.988 5.858) 6.688 5.085 ( 1.392 -1.748 4.591) 5.106 5.938 ( -20.240 1.819 2.336) 20.455 6.026 ( -23.738 -5.201 2.990) 24.485 6.285 ( -7.457 2.685 3.815) 8.796 6.345 ( -0.606 -2.622 3.616) 4.507 6.611 ( -24.998 6.124 -2.375) 25.846 6.765 ( -24.144 -6.577 -3.575) 25.278 7.326 ( -4.407 2.471 -5.805) 7.696 7.381 ( -1.615 -1.555 -4.887) 5.377 7.585 ( 9.476 4.165 -2.057) 10.553 7.693 ( 13.772 -4.439 -1.978) 14.604 8.689 ( -0.739 6.463 -1.434) 6.661 8.828 ( 1.030 -4.255 0.470) 4.403 9.350 ( -8.516 1.010 0.210) 8.579 9.397 ( -6.233 -2.279 -0.110) 6.638 9.901 ( -10.296 2.386 9.937) 14.506 9.953 ( -9.522 -1.833 8.896) 13.159 11.250 ( 1.328 0.836 -3.266) 3.623 11.270 ( -1.199 -0.531 -1.886) 2.297 11.320 ( -0.901 0.179 -1.431) 1.700 11.331 ( 0.199 -0.760 -4.199) 4.272 12.098 ( -5.177 1.497 0.512) 5.413 12.135 ( -5.528 -1.446 -0.165) 5.717 12.562 ( -3.699 1.763 -10.360) 11.141 12.611 ( -4.406 -2.130 -11.415) 12.419 13.586 ( 10.560 1.060 0.321) 10.618 13.611 ( 9.909 -0.914 1.227) 10.027 14.277 ( -1.887 0.454 -7.296) 7.550 14.287 ( 0.014 -0.538 -7.577) 7.596 14.338 ( -0.120 0.889 -3.240) 3.362 14.347 ( -1.239 0.156 -1.009) 1.605 14.886 ( -8.520 4.942 5.755) 11.407 15.018 ( -11.846 -5.552 6.346) 14.541 16.299 ( 16.900 2.923 -0.014) 17.151 16.375 ( 15.965 -3.116 -1.251) 16.315 17.137 ( 2.077 3.762 5.884) 7.286 17.239 ( 2.563 -4.406 5.261) 7.325 17.959 ( -1.272 1.215 0.093) 1.761 17.985 ( -2.757 -0.852 -1.746) 3.372 18.440 ( 3.839 2.846 0.160) 4.781 18.517 ( 4.454 -3.297 0.202) 5.545 20.207 ( 0.485 0.668 -0.697) 1.081 20.232 ( 1.636 -1.025 -0.910) 2.135 20.296 ( -2.501 2.720 -1.469) 3.976 20.350 ( -3.443 -0.859 -2.005) 4.076 20.618 ( 4.341 1.553 1.494) 4.846 20.669 ( 4.314 -2.617 0.905) 5.126 21.001 ( 7.208 3.771 -0.186) 8.137 21.094 ( 5.493 -3.436 -0.323) 6.487 21.606 ( -1.015 4.014 1.059) 4.273 21.705 ( -2.784 -3.476 0.621) 4.497 21.976 ( 0.889 1.632 -0.571) 1.944 22.042 ( 1.021 -3.910 -0.380) 4.059 22.831 ( -9.212 4.916 -1.253) 10.516 22.926 ( -5.971 -2.833 -2.673) 7.129 26.078 ( 8.587 1.638 3.579) 9.446 26.128 ( 10.969 -2.325 5.031) 12.290 26.777 ( 15.116 1.957 0.089) 15.242 26.819 ( 15.330 -1.366 0.397) 15.396 27.706 ( 10.119 3.397 1.156) 10.736 27.828 ( 11.212 -6.704 -0.512) 13.073 27.983 ( -0.806 1.654 0.938) 2.065 28.018 ( -2.021 -1.127 1.203) 2.608 28.846 ( 16.266 6.067 -1.002) 17.390 28.974 ( 16.679 -4.399 -1.536) 17.317 29.463 ( -36.063 4.653 -5.430) 36.766 29.599 ( -39.686 -6.506 -10.681) 41.610 30.589 ( -9.053 11.424 -3.621) 15.020 30.884 ( -5.831 -13.521 -5.247) 15.632 31.708 ( 5.656 15.698 3.702) 17.091 32.022 ( 4.582 -9.722 2.106) 10.952 32.317 ( 4.485 0.138 2.126) 4.965 32.350 ( 11.910 -2.971 5.006) 13.257 35.711 ( -11.842 5.040 1.407) 12.947 35.854 ( -13.477 -6.797 1.742) 15.194 36.400 ( -26.789 6.594 -2.722) 27.723 36.542 ( -32.083 -5.262 -6.163) 33.091 37.865 ( -9.937 12.758 -7.469) 17.813 38.127 ( -6.071 -8.423 -15.961) 19.042 41.159 ( 0.986 1.373 -7.300) 7.493 41.215 ( 1.458 -3.516 -4.844) 6.161 41.654 ( 3.597 11.668 4.368) 12.968 41.966 ( 8.527 -14.907 8.963) 19.372 42.826 ( 20.910 15.168 16.799) 30.814 43.122 ( 26.754 -9.677 15.244) 32.277 ======================= Grid point 134 (86/100) ======================= q-point: (-0.08 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -12.210 2.398 11.111) 16.682 1.473 ( -12.469 -2.128 6.476) 14.210 1.624 ( -1.999 9.812 7.117) 12.285 1.835 ( -11.872 -5.873 10.963) 17.194 2.058 ( -10.961 10.316 3.354) 15.421 2.234 ( -9.602 0.284 -4.378) 10.557 2.329 ( -3.809 -2.867 -2.115) 5.215 2.409 ( -10.065 -6.708 1.160) 12.151 2.592 ( -5.389 7.425 -3.143) 9.698 2.840 ( -0.613 -12.062 2.456) 12.325 3.090 ( -6.091 4.418 15.378) 17.120 3.287 ( -6.749 -10.172 7.167) 14.156 3.413 ( -7.349 4.550 10.499) 13.599 3.503 ( -9.234 -2.471 6.663) 11.652 3.662 ( -2.530 5.073 -3.768) 6.807 3.749 ( -7.966 -2.233 -5.570) 9.974 3.874 ( 0.873 2.782 -2.574) 3.889 3.916 ( -2.623 1.580 -1.609) 3.460 4.081 ( -8.949 0.668 -5.478) 10.514 4.141 ( -6.205 -5.154 -7.863) 11.265 4.488 ( -7.816 3.806 -8.679) 12.284 4.550 ( -7.649 -1.368 -5.261) 9.384 5.053 ( -0.376 5.604 10.426) 11.842 5.159 ( 3.072 -3.395 7.133) 8.476 5.690 ( -5.957 2.283 5.117) 8.178 5.762 ( -5.487 -3.491 4.205) 7.744 5.952 ( -20.552 2.428 2.108) 20.802 5.986 ( -21.198 0.201 -0.454) 21.204 6.574 ( 7.500 0.590 4.401) 8.716 6.644 ( 4.602 -4.422 2.472) 6.844 7.231 ( -3.891 2.509 -7.867) 9.128 7.291 ( -3.720 -2.549 -7.830) 9.036 7.772 ( 8.469 6.507 -3.847) 11.352 7.959 ( 12.214 -8.120 -6.411) 16.007 8.695 ( 2.043 5.223 0.822) 5.668 8.822 ( -0.950 -4.941 0.915) 5.114 9.249 ( -2.831 2.738 1.138) 4.099 9.324 ( -2.346 -3.179 1.159) 4.118 9.826 ( -3.071 3.161 8.260) 9.362 9.876 ( -3.725 -1.023 7.262) 8.226 11.252 ( 0.361 0.607 -3.250) 3.326 11.268 ( 1.336 -0.179 -2.859) 3.161 11.294 ( -1.039 0.469 -2.318) 2.583 11.316 ( -0.183 -0.641 -4.473) 4.523 12.006 ( -4.348 1.687 -1.102) 4.792 12.047 ( -3.602 -1.639 -0.215) 3.964 12.447 ( -3.404 0.875 -8.321) 9.033 12.471 ( -4.593 -1.054 -8.905) 10.075 13.770 ( 8.052 0.623 -0.054) 8.076 13.780 ( 6.905 -0.184 0.838) 6.958 14.153 ( -6.990 1.824 -3.218) 7.909 14.204 ( -4.892 -2.213 -4.988) 7.328 14.320 ( -0.572 1.034 -0.515) 1.289 14.337 ( 0.271 -0.380 -0.598) 0.758 14.857 ( 2.783 2.576 0.622) 3.843 14.927 ( -0.279 -3.024 1.199) 3.265 16.556 ( 9.389 2.046 0.143) 9.611 16.607 ( 8.333 -2.012 -0.891) 8.619 17.186 ( -0.071 3.241 6.555) 7.313 17.279 ( -0.948 -4.182 4.547) 6.250 17.929 ( -0.812 1.294 -0.426) 1.586 17.960 ( 0.775 -1.239 -1.348) 1.988 18.508 ( 2.798 2.466 1.421) 3.991 18.574 ( 1.073 -2.873 1.254) 3.313 20.053 ( -12.539 3.146 -0.567) 12.940 20.113 ( -10.151 -1.475 -2.460) 10.548 20.256 ( 0.078 1.170 -0.578) 1.307 20.288 ( -1.410 -1.195 -1.188) 2.197 20.706 ( 3.885 0.974 1.355) 4.229 20.735 ( 2.124 -1.542 0.942) 2.788 21.169 ( 7.850 2.435 -0.513) 8.235 21.233 ( 6.718 -2.505 -0.443) 7.183 21.570 ( -2.779 2.777 1.250) 4.123 21.645 ( -3.185 -2.883 0.812) 4.372 21.984 ( 0.414 1.668 -0.686) 1.850 22.052 ( 0.388 -4.141 -0.298) 4.170 22.717 ( -2.815 6.974 -1.547) 7.678 22.853 ( -1.138 -4.219 -2.698) 5.136 26.297 ( 11.454 2.445 3.218) 12.146 26.378 ( 11.911 -4.159 3.808) 13.179 26.971 ( 5.925 2.322 0.134) 6.365 27.010 ( 5.307 -0.907 0.255) 5.390 27.827 ( 1.140 2.073 0.131) 2.369 27.893 ( -1.745 -2.351 -0.531) 2.976 27.985 ( -1.083 0.062 1.395) 1.767 28.011 ( -1.583 -2.950 -1.184) 3.551 28.830 ( -22.314 0.882 -1.587) 22.388 28.857 ( -24.939 -1.402 -2.193) 25.074 29.154 ( 11.491 6.983 -3.305) 13.846 29.278 ( 12.664 -3.490 -3.128) 13.504 30.450 ( -4.407 11.768 -2.709) 12.855 30.787 ( -2.207 -16.263 -5.431) 17.287 31.807 ( 3.366 14.181 1.884) 14.697 32.043 ( -0.367 -5.893 -0.578) 5.932 32.447 ( 5.627 4.878 4.229) 8.563 32.624 ( 10.893 -9.303 3.985) 14.869 35.495 ( -10.359 4.210 -0.242) 11.184 35.598 ( -12.689 -4.210 0.085) 13.369 35.955 ( -16.451 3.167 -1.087) 16.788 36.024 ( -18.842 -2.407 -0.113) 18.996 37.704 ( -3.758 13.857 -6.486) 15.755 37.996 ( -0.809 -9.574 -13.567) 16.624 41.143 ( 0.570 1.655 -6.078) 6.325 41.217 ( 0.913 -4.933 -3.639) 6.197 41.748 ( 3.718 15.337 4.480) 16.405 42.155 ( 6.647 -19.580 8.393) 22.316 43.261 ( 16.395 19.721 12.623) 28.585 43.647 ( 20.805 -12.767 9.477) 26.185 ======================= Grid point 147 (87/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -0.000 0.000 -0.000) 0.000 1.511 ( -0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 -0.000) 0.000 1.635 ( -0.000 0.000 0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 2.069 ( -0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.261 ( -0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 3.218 ( -0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 -0.000) 0.000 3.331 ( -0.000 0.000 -0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.413 ( -0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 -0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.166 ( -0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.387 ( -0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.887 ( -0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.722 ( -0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.859 ( -0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 11.281 ( -0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.323 ( -0.000 0.000 0.000) 0.000 13.840 ( -0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.026 ( 0.000 0.000 0.000) 0.000 14.135 ( -0.000 0.000 0.000) 0.000 14.300 ( -0.000 0.000 0.000) 0.000 14.346 ( -0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 14.921 ( -0.000 0.000 -0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.661 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000 17.307 ( 0.000 0.000 0.000) 0.000 17.902 ( -0.000 0.000 0.000) 0.000 17.978 ( -0.000 0.000 0.000) 0.000 18.551 ( -0.000 0.000 0.000) 0.000 18.618 ( -0.000 0.000 0.000) 0.000 19.853 ( -0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 20.240 ( -0.000 0.000 0.000) 0.000 20.272 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 20.767 ( -0.000 0.000 0.000) 0.000 21.224 ( 0.000 0.000 0.000) 0.000 21.323 ( 0.000 0.000 0.000) 0.000 21.526 ( 0.000 0.000 0.000) 0.000 21.661 ( 0.000 0.000 0.000) 0.000 21.962 ( -0.000 0.000 0.000) 0.000 22.131 ( -0.000 0.000 0.000) 0.000 22.571 ( 0.000 0.000 0.000) 0.000 22.863 ( 0.000 0.000 0.000) 0.000 26.436 ( 0.000 0.000 0.000) 0.000 26.621 ( 0.000 0.000 0.000) 0.000 26.977 ( 0.000 0.000 0.000) 0.000 27.054 ( 0.000 0.000 0.000) 0.000 27.807 ( -0.000 0.000 0.000) 0.000 27.840 ( -0.000 0.000 0.000) 0.000 27.931 ( 0.000 0.000 0.000) 0.000 27.986 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.668 ( -0.000 0.000 0.000) 0.000 29.179 ( 0.000 0.000 0.000) 0.000 29.407 ( 0.000 0.000 0.000) 0.000 30.265 ( -0.000 0.000 0.000) 0.000 30.973 ( -0.000 0.000 0.000) 0.000 31.645 ( 0.000 0.000 0.000) 0.000 32.072 ( -0.000 0.000 0.000) 0.000 32.478 ( 0.000 0.000 0.000) 0.000 32.861 ( 0.000 0.000 0.000) 0.000 35.329 ( -0.000 0.000 0.000) 0.000 35.507 ( -0.000 0.000 0.000) 0.000 35.776 ( 0.000 0.000 0.000) 0.000 35.908 ( -0.000 0.000 0.000) 0.000 37.459 ( -0.000 0.000 0.000) 0.000 37.936 ( 0.000 0.000 0.000) 0.000 41.048 ( 0.000 0.000 0.000) 0.000 41.327 ( 0.000 0.000 0.000) 0.000 41.572 ( 0.000 0.000 0.000) 0.000 42.725 ( 0.000 0.000 0.000) 0.000 43.214 ( 0.000 0.000 0.000) 0.000 44.088 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 149 (88/100) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 11.974 0.000 -0.432) 11.982 1.505 ( 0.756 0.000 4.736) 4.796 1.673 ( 8.053 0.000 -12.973) 15.269 2.009 ( 9.092 0.000 12.180) 15.199 2.022 ( 25.555 0.000 -8.901) 27.061 2.102 ( 4.579 0.000 -5.280) 6.989 2.210 ( 7.073 0.000 8.359) 10.950 2.459 ( 10.863 0.000 2.633) 11.177 2.634 ( -6.356 0.000 -1.661) 6.570 3.286 ( -2.035 0.000 -9.471) 9.687 3.332 ( -2.787 0.000 6.178) 6.778 3.349 ( 7.567 0.000 -14.929) 16.737 3.359 ( -1.826 0.000 0.162) 1.833 3.505 ( 22.580 0.000 -0.665) 22.590 3.612 ( 7.803 0.000 10.217) 12.856 3.684 ( 17.085 0.000 3.238) 17.389 3.821 ( -2.057 0.000 -3.250) 3.846 3.858 ( 0.816 0.000 2.262) 2.405 3.934 ( 10.733 0.000 4.942) 11.816 4.164 ( -0.940 0.000 -1.750) 1.987 4.268 ( 9.565 0.000 4.432) 10.542 4.498 ( 10.579 0.000 1.589) 10.698 5.207 ( 0.992 0.000 -7.539) 7.604 5.305 ( 0.256 0.000 -5.946) 5.952 5.779 ( 6.035 0.000 -4.845) 7.739 5.908 ( 5.068 0.000 -3.970) 6.438 5.910 ( 23.570 0.000 2.963) 23.756 5.982 ( 19.827 0.000 -3.349) 20.108 6.722 ( -9.701 0.000 -7.810) 12.454 6.767 ( -6.001 0.000 -3.875) 7.143 7.043 ( 4.762 0.000 6.248) 7.856 7.149 ( 5.800 0.000 9.060) 10.758 7.681 ( -8.496 0.000 0.020) 8.496 7.936 ( -11.587 0.000 4.895) 12.579 8.654 ( -4.245 0.000 -2.018) 4.700 8.903 ( 2.424 0.000 -0.802) 2.554 9.250 ( 3.937 0.000 -1.992) 4.412 9.399 ( 3.347 0.000 -1.771) 3.787 9.892 ( 5.025 0.000 -2.908) 5.806 9.963 ( 5.311 0.000 -1.527) 5.527 11.119 ( -4.148 0.000 6.628) 7.819 11.157 ( -4.208 0.000 8.154) 9.176 11.252 ( -0.961 0.000 0.196) 0.981 11.303 ( 0.681 0.000 0.108) 0.689 11.959 ( 5.432 0.000 0.522) 5.457 12.081 ( 3.818 0.000 -1.158) 3.990 12.344 ( 2.605 0.000 1.256) 2.892 12.366 ( 3.346 0.000 2.665) 4.277 13.757 ( -7.641 0.000 0.106) 7.642 13.816 ( -5.217 0.000 -1.767) 5.508 14.069 ( 3.078 0.000 3.648) 4.773 14.127 ( -1.230 0.000 4.650) 4.810 14.306 ( 0.505 0.000 -0.296) 0.586 14.337 ( -0.544 0.000 -0.028) 0.545 14.897 ( 2.795 0.000 -6.646) 7.210 15.024 ( 8.681 0.000 -4.340) 9.705 16.539 ( -10.302 0.000 -0.360) 10.309 16.597 ( -8.556 0.000 2.104) 8.811 17.228 ( -3.654 0.000 -0.633) 3.708 17.330 ( -0.356 0.000 3.402) 3.421 17.903 ( 0.852 0.000 0.809) 1.175 17.979 ( 0.434 0.000 -1.837) 1.887 18.497 ( -4.221 0.000 -0.612) 4.265 18.623 ( -0.941 0.000 0.079) 0.944 20.005 ( 13.906 0.000 1.267) 13.964 20.075 ( 8.144 0.000 1.292) 8.245 20.234 ( -0.680 0.000 0.230) 0.718 20.278 ( -0.046 0.000 0.826) 0.827 20.710 ( -3.845 0.000 -0.284) 3.855 20.767 ( -1.398 0.000 -0.397) 1.453 21.139 ( -8.469 0.000 -0.072) 8.470 21.259 ( -6.436 0.000 0.117) 6.437 21.546 ( 1.470 0.000 0.789) 1.668 21.694 ( 3.308 0.000 -0.531) 3.350 21.962 ( 0.096 0.000 -0.287) 0.303 22.123 ( -0.745 0.000 -0.055) 0.747 22.608 ( 4.221 0.000 0.183) 4.225 22.870 ( 0.992 0.000 0.233) 1.019 26.304 ( -10.952 0.000 -0.601) 10.968 26.511 ( -9.971 0.000 -3.489) 10.564 26.930 ( -5.495 0.000 0.177) 5.498 27.019 ( -4.605 0.000 0.129) 4.607 27.824 ( -1.683 0.000 -0.834) 1.878 27.933 ( 0.678 0.000 -0.753) 1.013 27.953 ( 4.172 0.000 4.538) 6.164 28.004 ( 1.896 0.000 -0.361) 1.930 28.798 ( 18.332 0.000 0.861) 18.352 28.845 ( 22.759 0.000 0.515) 22.764 29.050 ( -12.373 0.000 -0.723) 12.394 29.274 ( -13.198 0.000 1.638) 13.299 30.309 ( 4.479 0.000 0.158) 4.482 30.986 ( 1.345 0.000 1.201) 1.803 31.610 ( -3.067 0.000 -2.346) 3.862 32.091 ( 1.916 0.000 -0.078) 1.917 32.429 ( -4.946 0.000 0.257) 4.952 32.763 ( -10.607 0.000 0.455) 10.616 35.440 ( 10.483 0.000 0.210) 10.486 35.657 ( 14.603 0.000 0.621) 14.616 35.884 ( 12.544 0.000 0.856) 12.573 36.091 ( 18.501 0.000 -3.394) 18.809 37.508 ( 5.388 0.000 0.843) 5.454 37.951 ( 1.572 0.000 0.464) 1.639 41.043 ( -0.962 0.000 1.815) 2.054 41.309 ( -1.952 0.000 0.309) 1.976 41.556 ( -1.042 0.000 -1.897) 2.164 42.631 ( -8.885 0.000 -3.064) 9.398 43.108 ( -9.133 0.000 -6.330) 11.112 43.909 ( -17.164 0.000 -4.269) 17.687 ======================= Grid point 150 (89/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.265 0.000 -1.341) 4.471 1.663 ( 8.370 0.000 -3.647) 9.130 1.811 ( 12.773 0.000 -9.384) 15.850 2.114 ( 3.609 0.000 4.565) 5.819 2.188 ( 7.286 0.000 -6.465) 9.741 2.475 ( 14.339 0.000 0.797) 14.361 2.488 ( 14.013 0.000 9.702) 17.044 2.528 ( -1.472 0.000 -2.850) 3.208 2.636 ( 6.962 0.000 1.899) 7.217 3.183 ( -2.746 0.000 -11.795) 12.110 3.298 ( 0.084 0.000 -4.593) 4.593 3.355 ( -0.572 0.000 7.903) 7.924 3.426 ( 2.850 0.000 -6.405) 7.011 3.591 ( -6.625 0.000 -5.988) 8.930 3.695 ( -2.619 0.000 9.072) 9.442 3.795 ( -5.409 0.000 -7.981) 9.641 3.990 ( 10.459 0.000 4.111) 11.238 4.046 ( 15.741 0.000 1.727) 15.836 4.200 ( 12.150 0.000 6.095) 13.593 4.350 ( 18.148 0.000 -0.801) 18.165 4.525 ( 15.162 0.000 6.109) 16.347 4.769 ( 16.182 0.000 3.514) 16.559 5.184 ( 0.417 0.000 -9.726) 9.735 5.251 ( -1.861 0.000 -10.927) 11.084 5.988 ( 18.202 0.000 -4.155) 18.670 6.161 ( 23.693 0.000 -1.708) 23.754 6.335 ( 9.712 0.000 -5.842) 11.333 6.492 ( 28.162 0.000 2.400) 28.264 6.505 ( -7.698 0.000 -9.362) 12.121 6.794 ( 19.830 0.000 2.608) 20.001 7.197 ( 11.728 0.000 4.100) 12.424 7.273 ( 0.064 0.000 7.475) 7.476 7.501 ( -6.718 0.000 0.893) 6.777 7.700 ( -11.861 0.000 2.972) 12.227 8.590 ( -1.404 0.000 -0.893) 1.664 8.904 ( -1.978 0.000 -1.793) 2.670 9.352 ( 8.054 0.000 -0.983) 8.114 9.476 ( 6.386 0.000 -4.031) 7.552 10.033 ( 11.532 0.000 -6.044) 13.019 10.095 ( 11.274 0.000 -3.931) 11.939 11.087 ( -3.274 0.000 11.277) 11.742 11.142 ( -1.977 0.000 13.488) 13.632 11.263 ( 2.421 0.000 0.474) 2.467 11.308 ( 0.055 0.000 0.566) 0.569 12.087 ( 7.385 0.000 -0.241) 7.389 12.160 ( 5.475 0.000 -1.473) 5.670 12.407 ( 2.784 0.000 3.057) 4.134 12.452 ( 3.267 0.000 6.089) 6.910 13.582 ( -10.128 0.000 -0.770) 10.157 13.664 ( -9.228 0.000 -2.195) 9.486 14.118 ( -0.507 0.000 7.005) 7.023 14.173 ( 2.640 0.000 4.473) 5.194 14.306 ( -0.155 0.000 -0.057) 0.165 14.345 ( 1.522 0.000 -0.185) 1.533 14.974 ( 9.868 0.000 -9.664) 13.812 15.210 ( 13.696 0.000 -6.128) 15.004 16.270 ( -17.369 0.000 -0.204) 17.370 16.372 ( -15.652 0.000 2.510) 15.852 17.151 ( -4.362 0.000 0.436) 4.384 17.310 ( -3.494 0.000 3.171) 4.718 17.946 ( 1.857 0.000 1.156) 2.187 17.988 ( 2.345 0.000 -2.143) 3.177 18.407 ( -4.857 0.000 -0.423) 4.876 18.562 ( -5.599 0.000 -0.022) 5.600 20.201 ( 2.579 0.000 0.418) 2.613 20.211 ( -2.093 0.000 -0.110) 2.096 20.255 ( -3.594 0.000 1.274) 3.813 20.290 ( 9.553 0.000 3.092) 10.041 20.625 ( -4.622 0.000 -0.849) 4.700 20.713 ( -4.170 0.000 -0.154) 4.173 20.952 ( -8.669 0.000 0.107) 8.669 21.128 ( -5.008 0.000 0.076) 5.008 21.564 ( -0.515 0.000 0.968) 1.097 21.758 ( 3.175 0.000 -0.554) 3.223 21.958 ( -0.469 0.000 -0.457) 0.655 22.105 ( -1.231 0.000 -0.195) 1.246 22.751 ( 11.296 0.000 0.761) 11.322 22.923 ( 5.338 0.000 0.182) 5.341 26.109 ( -7.863 0.000 -1.835) 8.074 26.264 ( -12.538 0.000 -4.850) 13.444 26.746 ( -14.699 0.000 0.238) 14.701 26.839 ( -15.148 0.000 -0.012) 15.148 27.698 ( -9.674 0.000 -1.340) 9.767 27.886 ( -11.928 0.000 3.645) 12.473 27.955 ( 1.903 0.000 -0.694) 2.026 28.044 ( 2.252 0.000 -0.489) 2.305 28.767 ( -15.694 0.000 -0.768) 15.713 28.989 ( -16.724 0.000 2.231) 16.872 29.351 ( 35.513 0.000 2.064) 35.573 29.488 ( 39.691 0.000 5.914) 40.129 30.437 ( 9.225 0.000 0.161) 9.227 31.051 ( 5.285 0.000 1.442) 5.478 31.518 ( -4.667 0.000 -3.767) 5.997 32.131 ( 1.825 0.000 -0.726) 1.964 32.322 ( -5.571 0.000 1.019) 5.664 32.483 ( -17.364 0.000 -1.969) 17.475 35.668 ( 12.425 0.000 -0.629) 12.441 35.974 ( 16.067 0.000 0.677) 16.081 36.248 ( 23.650 0.000 2.504) 23.782 36.534 ( 28.970 0.000 -0.864) 28.983 37.691 ( 13.724 0.000 1.802) 13.842 38.012 ( 4.662 0.000 2.065) 5.099 41.033 ( -1.191 0.000 3.416) 3.617 41.260 ( -3.360 0.000 0.587) 3.411 41.524 ( -1.008 0.000 -2.356) 2.562 42.383 ( -14.521 0.000 -5.215) 15.429 42.840 ( -14.147 0.000 -10.785) 17.789 43.452 ( -26.639 0.000 -8.194) 27.871 ======================= Grid point 151 (90/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 8.920 0.000 -4.046) 9.795 1.790 ( 7.342 0.000 -5.533) 9.194 2.010 ( 10.203 0.000 -4.127) 11.006 2.213 ( 6.292 0.000 0.583) 6.319 2.302 ( 6.650 0.000 -4.308) 7.923 2.450 ( -2.248 0.000 -0.522) 2.308 2.636 ( -0.447 0.000 -1.924) 1.975 2.692 ( 6.432 0.000 -0.578) 6.458 2.822 ( 10.206 0.000 2.103) 10.421 3.119 ( 2.290 0.000 -7.466) 7.809 3.260 ( -8.817 0.000 -8.339) 12.136 3.292 ( -4.013 0.000 -9.495) 10.308 3.442 ( 5.310 0.000 15.363) 16.255 3.512 ( 0.298 0.000 -5.288) 5.297 3.593 ( -9.252 0.000 -8.848) 12.801 3.706 ( 0.176 0.000 9.529) 9.531 4.184 ( 7.428 0.000 2.792) 7.935 4.232 ( 3.363 0.000 1.764) 3.797 4.389 ( 5.513 0.000 2.853) 6.207 4.519 ( 1.051 0.000 -3.045) 3.221 4.907 ( 21.158 0.000 7.840) 22.564 5.119 ( 18.434 0.000 4.416) 18.956 5.126 ( -1.898 0.000 -8.021) 8.243 5.166 ( -0.843 0.000 -9.724) 9.761 6.244 ( -3.589 0.000 -8.390) 9.126 6.268 ( -6.915 0.000 -4.994) 8.530 6.268 ( 0.961 0.000 1.292) 1.611 6.621 ( 6.005 0.000 -0.646) 6.040 6.848 ( 8.164 0.000 5.453) 9.818 7.154 ( -7.012 0.000 3.427) 7.804 7.317 ( 25.882 0.000 0.798) 25.894 7.541 ( 13.696 0.000 -1.725) 13.804 7.656 ( 31.142 0.000 0.809) 31.152 7.775 ( 16.516 0.000 2.061) 16.644 8.580 ( -1.005 0.000 1.366) 1.696 8.809 ( -7.105 0.000 -1.622) 7.288 9.567 ( 15.323 0.000 0.593) 15.334 9.635 ( 14.149 0.000 -4.350) 14.803 10.264 ( 17.090 0.000 -5.062) 17.823 10.380 ( 20.407 0.000 -8.545) 22.124 11.120 ( 0.819 0.000 11.760) 11.788 11.196 ( 0.312 0.000 13.244) 13.247 11.310 ( 2.423 0.000 0.643) 2.507 11.398 ( 10.837 0.000 1.437) 10.932 12.223 ( 8.273 0.000 -1.317) 8.378 12.303 ( 10.602 0.000 -0.782) 10.631 12.473 ( 2.270 0.000 4.613) 5.141 12.540 ( 2.401 0.000 8.224) 8.567 13.390 ( -9.332 0.000 -1.102) 9.397 13.470 ( -9.805 0.000 -2.472) 10.112 14.134 ( -1.299 0.000 6.032) 6.170 14.211 ( -0.635 0.000 2.655) 2.730 14.320 ( 2.126 0.000 0.199) 2.135 14.389 ( 3.340 0.000 -0.356) 3.359 15.184 ( 16.746 0.000 -8.358) 18.716 15.476 ( 16.808 0.000 -4.733) 17.462 15.925 ( -17.925 0.000 -0.196) 17.926 16.066 ( -17.019 0.000 2.300) 17.173 17.074 ( -3.798 0.000 0.586) 3.843 17.234 ( -5.398 0.000 1.691) 5.657 17.938 ( -2.912 0.000 -1.223) 3.159 18.027 ( -0.166 0.000 0.857) 0.873 18.309 ( -5.935 0.000 0.770) 5.985 18.421 ( -9.312 0.000 0.763) 9.343 20.085 ( -13.801 0.000 0.628) 13.815 20.130 ( -9.346 0.000 0.321) 9.351 20.141 ( -6.627 0.000 -0.640) 6.658 20.236 ( -15.344 0.000 1.451) 15.412 20.538 ( -4.052 0.000 -0.620) 4.099 20.605 ( -6.988 0.000 -0.349) 6.997 20.939 ( 5.696 0.000 1.193) 5.819 21.142 ( 5.691 0.000 -0.198) 5.695 21.530 ( -3.102 0.000 0.226) 3.110 21.797 ( 1.138 0.000 -0.672) 1.322 21.944 ( -0.572 0.000 -0.306) 0.648 22.065 ( -2.974 0.000 -0.354) 2.995 23.054 ( 19.697 0.000 2.374) 19.840 23.101 ( 14.697 0.000 -0.876) 14.723 26.004 ( -2.897 0.000 -2.674) 3.942 26.051 ( -6.094 0.000 -4.256) 7.433 26.376 ( -24.302 0.000 0.170) 24.302 26.459 ( -24.306 0.000 -0.077) 24.306 27.491 ( -11.025 0.000 -1.306) 11.102 27.619 ( -15.913 0.000 0.914) 15.939 27.983 ( 0.981 0.000 -0.351) 1.042 28.073 ( 0.802 0.000 -0.434) 0.912 28.494 ( -12.542 0.000 -0.260) 12.544 28.692 ( -15.427 0.000 1.596) 15.509 30.017 ( 31.817 0.000 1.977) 31.879 30.233 ( 32.408 0.000 8.893) 33.606 30.657 ( 13.654 0.000 0.143) 13.655 31.203 ( 9.866 0.000 1.213) 9.940 31.419 ( -3.392 0.000 -3.480) 4.860 32.038 ( -13.409 0.000 -6.809) 15.039 32.219 ( -4.615 0.000 0.421) 4.634 32.298 ( 2.016 0.000 3.291) 3.860 35.864 ( 8.266 0.000 -1.260) 8.361 36.209 ( 8.457 0.000 -0.325) 8.463 36.726 ( 24.392 0.000 2.416) 24.511 37.132 ( 31.709 0.000 5.304) 32.150 38.020 ( 19.315 0.000 -2.260) 19.447 38.159 ( 8.934 0.000 8.438) 12.288 41.036 ( -0.371 0.000 4.812) 4.826 41.194 ( -3.720 0.000 0.826) 3.810 41.504 ( -0.151 0.000 -1.243) 1.252 42.064 ( -15.817 0.000 -5.938) 16.895 42.508 ( -14.538 0.000 -12.408) 19.113 42.887 ( -27.394 0.000 -10.327) 29.276 ======================= Grid point 152 (91/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 9.716 0.000 -5.086) 10.967 1.884 ( 5.781 0.000 -6.767) 8.900 2.135 ( 4.617 0.000 -1.578) 4.880 2.346 ( -0.869 0.000 -2.405) 2.557 2.350 ( 7.553 0.000 -3.009) 8.131 2.443 ( 1.790 0.000 2.097) 2.757 2.553 ( -5.570 0.000 -4.421) 7.111 2.768 ( 3.049 0.000 -2.065) 3.682 2.978 ( 7.857 0.000 -1.963) 8.099 2.988 ( -11.693 0.000 -8.434) 14.417 3.160 ( -5.957 0.000 -13.204) 14.485 3.215 ( 8.485 0.000 0.247) 8.489 3.368 ( -10.643 0.000 -8.833) 13.831 3.522 ( 1.638 0.000 -0.505) 1.714 3.687 ( 11.181 0.000 15.352) 18.992 3.799 ( 4.548 0.000 10.354) 11.309 4.240 ( -1.898 0.000 1.469) 2.400 4.280 ( 1.989 0.000 -0.945) 2.202 4.444 ( -0.073 0.000 0.073) 0.103 4.451 ( -5.218 0.000 -0.918) 5.298 5.040 ( -3.836 0.000 -5.595) 6.784 5.140 ( 1.485 0.000 -5.451) 5.650 5.353 ( 21.396 0.000 6.390) 22.330 5.474 ( 16.094 0.000 4.040) 16.593 6.064 ( -9.180 0.000 -2.606) 9.543 6.122 ( -5.558 0.000 -2.967) 6.301 6.165 ( -10.485 0.000 -4.516) 11.416 6.450 ( -15.312 0.000 0.861) 15.337 6.966 ( 4.202 0.000 4.762) 6.351 7.152 ( 2.675 0.000 1.573) 3.103 7.733 ( 17.220 0.000 -0.348) 17.224 7.903 ( 17.935 0.000 -1.959) 18.042 8.087 ( 12.051 0.000 2.171) 12.245 8.123 ( 17.384 0.000 -1.586) 17.456 8.506 ( -8.171 0.000 1.334) 8.279 8.638 ( -9.800 0.000 -0.701) 9.825 9.926 ( 20.820 0.000 1.354) 20.864 9.986 ( 22.938 0.000 -1.772) 23.006 10.560 ( 11.480 0.000 -2.310) 11.711 10.719 ( 18.512 0.000 -8.103) 20.208 11.199 ( 1.646 0.000 7.178) 7.364 11.257 ( 0.737 0.000 8.379) 8.411 11.460 ( 15.503 0.000 0.496) 15.511 11.716 ( 21.056 0.000 1.138) 21.087 12.423 ( 11.987 0.000 2.929) 12.339 12.528 ( 5.453 0.000 0.487) 5.474 12.552 ( 11.962 0.000 -0.943) 12.000 12.631 ( 4.534 0.000 9.002) 10.080 13.237 ( -6.124 0.000 -0.962) 6.199 13.284 ( -8.423 0.000 -2.398) 8.757 14.120 ( -2.660 0.000 3.881) 4.705 14.184 ( -2.803 0.000 1.264) 3.075 14.398 ( 5.987 0.000 0.141) 5.988 14.473 ( 5.912 0.000 -0.666) 5.950 15.508 ( 20.228 0.000 -4.988) 20.834 15.639 ( -11.334 0.000 0.178) 11.336 15.773 ( 15.863 0.000 -2.624) 16.078 15.790 ( -12.321 0.000 1.676) 12.434 17.024 ( -1.306 0.000 -0.220) 1.325 17.142 ( -4.176 0.000 -0.192) 4.180 17.799 ( -11.964 0.000 -0.623) 11.981 17.929 ( -11.488 0.000 0.846) 11.519 18.176 ( -9.348 0.000 2.051) 9.571 18.224 ( -12.298 0.000 2.915) 12.638 19.798 ( -14.281 0.000 0.159) 14.282 19.889 ( -14.681 0.000 -0.435) 14.688 19.908 ( -16.480 0.000 1.050) 16.514 19.960 ( -12.541 0.000 -2.498) 12.788 20.447 ( -5.750 0.000 -0.220) 5.754 20.493 ( -3.287 0.000 -0.572) 3.336 21.048 ( 3.963 0.000 0.995) 4.086 21.261 ( 5.602 0.000 -0.444) 5.619 21.470 ( -2.812 0.000 -0.368) 2.836 21.800 ( -0.222 0.000 -0.673) 0.708 21.938 ( -0.070 0.000 -0.075) 0.103 22.000 ( -3.256 0.000 -0.498) 3.294 23.442 ( 22.734 0.000 1.135) 22.762 23.529 ( 27.418 0.000 0.518) 27.423 25.861 ( -29.532 0.000 -0.161) 29.532 25.946 ( -0.120 0.000 -3.319) 3.321 25.958 ( -28.180 0.000 0.144) 28.181 26.022 ( 2.096 0.000 -2.176) 3.022 27.283 ( -10.321 0.000 -0.771) 10.349 27.340 ( -12.891 0.000 -0.764) 12.913 27.989 ( 0.019 0.000 -0.131) 0.132 28.071 ( -0.672 0.000 -0.348) 0.757 28.294 ( -8.660 0.000 0.101) 8.661 28.430 ( -12.746 0.000 0.812) 12.771 30.510 ( 19.001 0.000 1.386) 19.052 30.722 ( 15.456 0.000 5.970) 16.569 30.925 ( 13.787 0.000 0.073) 13.787 31.376 ( 0.111 0.000 -1.504) 1.508 31.410 ( 10.777 0.000 0.930) 10.817 31.739 ( -12.207 0.000 -6.618) 13.885 32.215 ( 2.646 0.000 0.323) 2.666 32.400 ( 5.721 0.000 4.175) 7.082 35.967 ( 3.624 0.000 -1.295) 3.848 36.306 ( 2.807 0.000 -0.741) 2.903 37.153 ( 19.117 0.000 1.694) 19.192 37.713 ( 25.144 0.000 7.857) 26.343 38.292 ( 11.926 0.000 -4.743) 12.834 38.457 ( 15.184 0.000 10.705) 18.579 41.069 ( 1.236 0.000 5.756) 5.887 41.136 ( -2.713 0.000 1.040) 2.906 41.508 ( 0.766 0.000 0.553) 0.945 41.756 ( -13.538 0.000 -5.288) 14.534 42.198 ( -11.943 0.000 -11.184) 16.362 42.362 ( -22.304 0.000 -10.300) 24.567 ======================= Grid point 153 (92/100) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 4.273 0.000 -5.188) 6.722 1.974 ( 7.100 0.000 -4.146) 8.222 2.188 ( 2.257 0.000 -0.507) 2.313 2.284 ( -3.682 0.000 -0.165) 3.686 2.416 ( -6.182 0.000 -3.843) 7.280 2.438 ( 4.188 0.000 -1.831) 4.570 2.527 ( 3.751 0.000 2.040) 4.270 2.763 ( -7.854 0.000 -3.834) 8.740 2.805 ( 1.675 0.000 -4.487) 4.790 3.007 ( -3.806 0.000 -8.766) 9.556 3.105 ( 5.496 0.000 -0.430) 5.513 3.138 ( -8.421 0.000 -5.667) 10.150 3.386 ( 7.768 0.000 1.851) 7.985 3.537 ( -0.236 0.000 0.692) 0.731 3.941 ( 7.391 0.000 11.696) 13.836 3.970 ( 8.991 0.000 8.812) 12.589 4.218 ( -0.293 0.000 1.292) 1.324 4.246 ( -3.697 0.000 -5.608) 6.717 4.353 ( -4.854 0.000 0.612) 4.892 4.401 ( -3.610 0.000 -2.017) 4.136 4.938 ( -4.302 0.000 -2.920) 5.199 5.150 ( 1.050 0.000 -2.331) 2.556 5.714 ( 11.244 0.000 3.492) 11.773 5.720 ( 8.960 0.000 1.249) 9.046 5.865 ( -10.140 0.000 0.391) 10.148 5.982 ( -5.036 0.000 -4.904) 7.029 6.067 ( 1.109 0.000 -0.048) 1.110 6.221 ( -8.042 0.000 -0.013) 8.042 7.092 ( 6.954 0.000 3.206) 7.657 7.207 ( 2.089 0.000 0.730) 2.213 7.924 ( 2.713 0.000 -1.612) 3.156 8.125 ( 7.480 0.000 -1.489) 7.627 8.223 ( 2.217 0.000 2.056) 3.023 8.330 ( 3.334 0.000 -5.681) 6.587 8.342 ( -4.125 0.000 4.397) 6.029 8.464 ( -7.051 0.000 0.540) 7.071 10.274 ( 13.521 0.000 1.490) 13.603 10.375 ( 15.955 0.000 0.429) 15.961 10.652 ( 1.315 0.000 -1.594) 2.067 10.929 ( 6.741 0.000 -3.127) 7.431 11.229 ( -0.175 0.000 1.936) 1.944 11.301 ( 0.490 0.000 3.448) 3.482 11.840 ( 19.381 0.000 -0.346) 19.384 12.102 ( 16.491 0.000 0.941) 16.517 12.572 ( 0.813 0.000 7.386) 7.431 12.591 ( 2.439 0.000 -0.341) 2.463 12.790 ( 13.993 0.000 -3.292) 14.375 12.883 ( 14.180 0.000 3.060) 14.506 13.136 ( -5.128 0.000 -2.249) 5.599 13.158 ( -2.775 0.000 -0.053) 2.775 14.080 ( -2.302 0.000 1.907) 2.989 14.131 ( -3.327 0.000 1.101) 3.505 14.522 ( 5.788 0.000 0.082) 5.788 14.596 ( 6.730 0.000 -1.004) 6.805 15.529 ( -0.561 0.000 0.552) 0.787 15.649 ( -3.031 0.000 0.931) 3.170 15.856 ( 16.623 0.000 -1.753) 16.715 16.021 ( 10.421 0.000 -0.748) 10.448 17.027 ( 1.981 0.000 -2.018) 2.828 17.096 ( -0.074 0.000 -1.126) 1.128 17.505 ( -16.635 0.000 -0.034) 16.635 17.630 ( -17.703 0.000 0.377) 17.707 17.972 ( -12.129 0.000 2.599) 12.404 18.002 ( -12.448 0.000 3.853) 13.031 19.600 ( -6.424 0.000 -0.119) 6.425 19.631 ( -10.644 0.000 -1.125) 10.703 19.689 ( -7.099 0.000 0.751) 7.138 19.693 ( -12.112 0.000 -2.598) 12.388 20.364 ( -2.779 0.000 -0.060) 2.780 20.450 ( -1.374 0.000 -0.368) 1.422 21.095 ( 1.102 0.000 0.424) 1.181 21.331 ( 2.176 0.000 -0.361) 2.206 21.429 ( -1.313 0.000 -0.327) 1.353 21.791 ( -0.258 0.000 -0.286) 0.385 21.938 ( -0.028 0.000 -0.072) 0.077 21.950 ( -1.574 0.000 -0.370) 1.617 23.926 ( 26.948 0.000 0.665) 26.956 24.062 ( 27.280 0.000 0.620) 27.287 25.296 ( -28.903 0.000 -0.582) 28.909 25.425 ( -27.489 0.000 0.314) 27.491 25.965 ( 2.470 0.000 -1.744) 3.023 26.062 ( 2.365 0.000 -1.379) 2.738 27.109 ( -7.102 0.000 -0.192) 7.104 27.150 ( -6.762 0.000 -0.857) 6.816 27.990 ( 0.219 0.000 0.043) 0.223 28.048 ( -1.376 0.000 -0.237) 1.397 28.173 ( -4.104 0.000 0.220) 4.110 28.234 ( -7.839 0.000 0.194) 7.841 30.750 ( 6.855 0.000 0.378) 6.865 30.912 ( 4.329 0.000 2.455) 4.976 31.142 ( 8.482 0.000 -0.002) 8.482 31.387 ( 0.517 0.000 -0.054) 0.520 31.551 ( -4.906 0.000 -3.962) 6.306 31.586 ( 6.844 0.000 0.544) 6.866 32.289 ( 4.025 0.000 0.360) 4.041 32.519 ( 4.422 0.000 2.858) 5.265 36.003 ( 1.125 0.000 -0.768) 1.362 36.330 ( 0.538 0.000 -0.518) 0.747 37.441 ( 10.410 0.000 0.943) 10.453 38.114 ( 13.491 0.000 5.317) 14.501 38.455 ( 6.694 0.000 -1.571) 6.875 38.735 ( 9.329 0.000 5.093) 10.628 41.108 ( -0.786 0.000 1.042) 1.305 41.133 ( 2.480 0.000 5.024) 5.602 41.524 ( -8.431 0.000 -3.436) 9.105 41.533 ( 1.090 0.000 1.813) 2.115 41.956 ( -10.737 0.000 -6.687) 12.649 41.989 ( -10.003 0.000 -8.360) 13.036 ======================= Grid point 154 (93/100) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.000 0.000 0.000) 0.000 2.037 ( -0.000 0.000 0.000) 0.000 2.220 ( -0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.326 ( -0.000 0.000 -0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.564 ( -0.000 0.000 0.000) 0.000 2.657 ( -0.000 0.000 0.000) 0.000 2.823 ( -0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 0.000) 0.000 3.050 ( -0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.473 ( -0.000 0.000 0.000) 0.000 3.533 ( -0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.117 ( -0.000 0.000 -0.000) 0.000 4.238 ( -0.000 0.000 0.000) 0.000 4.290 ( -0.000 0.000 0.000) 0.000 4.334 ( -0.000 0.000 0.000) 0.000 4.884 ( -0.000 0.000 -0.000) 0.000 5.154 ( -0.000 0.000 0.000) 0.000 5.761 ( -0.000 0.000 0.000) 0.000 5.778 ( -0.000 0.000 -0.000) 0.000 5.840 ( -0.000 0.000 0.000) 0.000 5.924 ( -0.000 0.000 0.000) 0.000 6.106 ( -0.000 0.000 -0.000) 0.000 6.147 ( -0.000 0.000 0.000) 0.000 7.190 ( -0.000 0.000 0.000) 0.000 7.229 ( -0.000 0.000 0.000) 0.000 7.903 ( -0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 -0.000) 0.000 8.232 ( -0.000 0.000 0.000) 0.000 8.258 ( -0.000 0.000 -0.000) 0.000 8.399 ( -0.000 0.000 0.000) 0.000 8.406 ( -0.000 0.000 0.000) 0.000 10.409 ( -0.000 0.000 0.000) 0.000 10.532 ( -0.000 0.000 0.000) 0.000 10.653 ( -0.000 0.000 0.000) 0.000 10.980 ( -0.000 0.000 0.000) 0.000 11.230 ( -0.000 0.000 0.000) 0.000 11.310 ( -0.000 0.000 0.000) 0.000 12.036 ( -0.000 0.000 0.000) 0.000 12.271 ( -0.000 0.000 0.000) 0.000 12.599 ( -0.000 0.000 -0.000) 0.000 12.605 ( -0.000 0.000 0.000) 0.000 12.934 ( -0.000 0.000 -0.000) 0.000 13.046 ( -0.000 0.000 -0.000) 0.000 13.075 ( -0.000 0.000 0.000) 0.000 13.136 ( -0.000 0.000 0.000) 0.000 14.078 ( -0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.579 ( -0.000 0.000 0.000) 0.000 14.666 ( -0.000 0.000 0.000) 0.000 15.552 ( -0.000 0.000 0.000) 0.000 15.642 ( -0.000 0.000 0.000) 0.000 16.029 ( -0.000 0.000 0.000) 0.000 16.123 ( -0.000 0.000 0.000) 0.000 17.053 ( -0.000 0.000 0.000) 0.000 17.104 ( -0.000 0.000 0.000) 0.000 17.314 ( -0.000 0.000 0.000) 0.000 17.427 ( -0.000 0.000 0.000) 0.000 17.846 ( 0.000 0.000 0.000) 0.000 17.860 ( -0.000 0.000 0.000) 0.000 19.523 ( -0.000 0.000 0.000) 0.000 19.543 ( -0.000 0.000 0.000) 0.000 19.561 ( -0.000 0.000 0.000) 0.000 19.628 ( -0.000 0.000 0.000) 0.000 20.339 ( -0.000 0.000 0.000) 0.000 20.436 ( -0.000 0.000 0.000) 0.000 21.105 ( -0.000 0.000 0.000) 0.000 21.349 ( -0.000 0.000 0.000) 0.000 21.416 ( -0.000 0.000 0.000) 0.000 21.788 ( -0.000 0.000 0.000) 0.000 21.932 ( -0.000 0.000 0.000) 0.000 21.940 ( -0.000 0.000 0.000) 0.000 24.305 ( -0.000 0.000 0.000) 0.000 24.398 ( 0.000 0.000 0.000) 0.000 24.927 ( -0.000 0.000 0.000) 0.000 25.066 ( -0.000 0.000 0.000) 0.000 25.990 ( -0.000 0.000 0.000) 0.000 26.082 ( -0.000 0.000 0.000) 0.000 27.039 ( -0.000 0.000 0.000) 0.000 27.081 ( -0.000 0.000 0.000) 0.000 27.995 ( -0.000 0.000 0.000) 0.000 28.032 ( -0.000 0.000 0.000) 0.000 28.138 ( -0.000 0.000 0.000) 0.000 28.156 ( -0.000 0.000 0.000) 0.000 30.810 ( -0.000 0.000 0.000) 0.000 30.953 ( -0.000 0.000 0.000) 0.000 31.225 ( -0.000 0.000 0.000) 0.000 31.387 ( -0.000 0.000 0.000) 0.000 31.503 ( -0.000 0.000 0.000) 0.000 31.654 ( -0.000 0.000 0.000) 0.000 32.333 ( -0.000 0.000 0.000) 0.000 32.571 ( -0.000 0.000 0.000) 0.000 36.011 ( -0.000 0.000 0.000) 0.000 36.333 ( -0.000 0.000 0.000) 0.000 37.543 ( -0.000 0.000 0.000) 0.000 38.255 ( -0.000 0.000 0.000) 0.000 38.516 ( -0.000 0.000 0.000) 0.000 38.837 ( -0.000 0.000 0.000) 0.000 41.107 ( -0.000 0.000 0.000) 0.000 41.178 ( -0.000 0.000 0.000) 0.000 41.430 ( -0.000 0.000 0.000) 0.000 41.551 ( -0.000 0.000 0.000) 0.000 41.812 ( -0.000 0.000 0.000) 0.000 41.887 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 161 (94/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 0.219 0.000) 0.219 1.387 ( -0.000 -6.658 0.000) 6.658 1.722 ( 0.000 7.646 0.000) 7.646 1.766 ( 0.000 5.199 0.000) 5.199 2.060 ( 0.000 10.521 0.000) 10.521 2.095 ( -0.000 4.074 0.000) 4.074 2.224 ( -0.000 -4.050 0.000) 4.050 2.333 ( 0.000 2.058 0.000) 2.058 2.509 ( 0.000 -6.458 0.000) 6.458 2.857 ( 0.000 -23.155 0.000) 23.155 3.237 ( -0.000 2.022 0.000) 2.022 3.313 ( -0.000 -2.728 0.000) 2.728 3.349 ( -0.000 1.324 0.000) 1.324 3.413 ( 0.000 -2.057 0.000) 2.057 3.591 ( -0.000 4.606 0.000) 4.606 3.629 ( 0.000 4.187 0.000) 4.187 3.789 ( 0.000 -2.631 0.000) 2.631 3.807 ( 0.000 -2.089 0.000) 2.089 3.935 ( 0.000 8.484 0.000) 8.484 4.122 ( 0.000 -5.914 0.000) 5.914 4.307 ( -0.000 8.264 0.000) 8.264 4.421 ( -0.000 -0.534 0.000) 0.534 5.221 ( 0.000 1.227 0.000) 1.227 5.274 ( 0.000 -2.770 0.000) 2.770 5.731 ( 0.000 3.070 0.000) 3.070 5.788 ( -0.000 -1.460 0.000) 1.460 5.806 ( 0.000 4.250 0.000) 4.250 5.874 ( 0.000 -1.246 0.000) 1.246 6.819 ( 0.000 -1.808 0.000) 1.808 6.839 ( -0.000 -2.855 0.000) 2.855 6.999 ( 0.000 1.864 0.000) 1.864 7.019 ( 0.000 -0.420 0.000) 0.420 7.792 ( 0.000 3.542 0.000) 3.542 7.935 ( 0.000 -7.458 0.000) 7.458 8.760 ( -0.000 2.868 0.000) 2.868 8.828 ( 0.000 -2.567 0.000) 2.567 9.255 ( 0.000 2.911 0.000) 2.911 9.329 ( 0.000 -3.095 0.000) 3.095 9.898 ( -0.000 2.305 0.000) 2.305 9.922 ( 0.000 0.342 0.000) 0.342 11.163 ( 0.000 0.353 0.000) 0.353 11.172 ( 0.000 -0.315 0.000) 0.315 11.279 ( 0.000 0.038 -0.000) 0.038 11.280 ( -0.000 -0.031 0.000) 0.031 11.938 ( 0.000 2.805 0.000) 2.805 12.008 ( 0.000 -2.735 0.000) 2.735 12.314 ( 0.000 0.164 0.000) 0.164 12.320 ( 0.000 -0.259 0.000) 0.259 13.851 ( -0.000 0.681 0.000) 0.681 13.862 ( 0.000 -0.248 0.000) 0.248 14.048 ( -0.000 1.941 0.000) 1.941 14.103 ( -0.000 -2.411 0.000) 2.411 14.312 ( -0.000 0.923 0.000) 0.923 14.334 ( -0.000 -0.898 0.000) 0.898 14.921 ( 0.000 0.150 0.000) 0.150 14.923 ( -0.000 0.054 -0.000) 0.054 16.655 ( 0.000 0.448 0.000) 0.448 16.662 ( 0.000 -0.074 0.000) 0.074 17.280 ( 0.000 0.063 0.000) 0.063 17.292 ( 0.000 -0.934 0.000) 0.934 17.923 ( -0.000 1.586 0.000) 1.586 17.961 ( -0.000 -1.419 0.000) 1.419 18.566 ( -0.000 1.215 0.000) 1.215 18.599 ( -0.000 -1.442 0.000) 1.442 19.900 ( -0.000 3.406 0.000) 3.406 19.968 ( 0.000 -1.870 0.000) 1.870 20.247 ( 0.000 0.632 0.000) 0.632 20.264 ( -0.000 -0.669 0.000) 0.669 20.764 ( 0.000 0.201 0.000) 0.201 20.768 ( -0.000 -0.046 0.000) 0.046 21.238 ( 0.000 1.461 0.000) 1.461 21.290 ( 0.000 -2.540 0.000) 2.540 21.558 ( 0.000 2.750 0.000) 2.750 21.628 ( 0.000 -2.685 0.000) 2.685 21.980 ( -0.000 1.808 0.000) 1.808 22.054 ( -0.000 -4.521 0.000) 4.521 22.675 ( 0.000 6.806 0.000) 6.806 22.811 ( -0.000 -4.427 0.000) 4.427 26.457 ( 0.000 2.164 0.000) 2.164 26.542 ( 0.000 -4.894 0.000) 4.894 27.026 ( 0.000 2.521 0.000) 2.521 27.055 ( -0.000 -0.202 0.000) 0.202 27.797 ( -0.000 -0.510 0.000) 0.510 27.804 ( -0.000 -1.398 0.000) 1.398 27.975 ( 0.000 1.966 0.000) 1.966 27.993 ( 0.000 0.198 0.000) 0.198 28.639 ( 0.000 0.317 0.000) 0.317 28.654 ( -0.000 -0.931 0.000) 0.931 29.250 ( 0.000 5.249 0.000) 5.249 29.363 ( 0.000 -3.797 0.000) 3.797 30.378 ( 0.000 9.819 0.000) 9.819 30.696 ( -0.000 -16.732 0.000) 16.732 31.859 ( 0.000 11.299 0.000) 11.299 32.031 ( -0.000 -3.978 0.000) 3.978 32.558 ( 0.000 6.998 0.000) 6.998 32.755 ( 0.000 -8.329 0.000) 8.329 35.368 ( -0.000 3.173 0.000) 3.173 35.454 ( 0.000 -3.790 0.000) 3.790 35.813 ( 0.000 2.733 0.000) 2.733 35.878 ( -0.000 -2.453 0.000) 2.453 37.599 ( -0.000 10.530 0.000) 10.530 37.837 ( 0.000 -8.380 0.000) 8.380 41.078 ( 0.000 2.804 0.000) 2.804 41.186 ( 0.000 -6.738 0.000) 6.738 41.848 ( 0.000 18.420 0.000) 18.420 42.331 ( 0.000 -22.743 0.000) 22.743 43.573 ( 0.000 19.709 0.000) 19.709 43.948 ( 0.000 -11.952 0.000) 11.952 ======================= Grid point 163 (95/100) ======================= q-point: ( 0.08 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.844 1.083 -0.292) 11.897 1.528 ( 5.484 -0.698 1.640) 5.766 1.803 ( 8.039 9.471 -7.492) 14.507 1.991 ( 15.838 -4.174 -2.039) 16.505 2.074 ( 3.269 4.678 6.959) 9.000 2.147 ( 10.052 5.326 -3.194) 11.816 2.240 ( 8.314 -0.171 3.227) 8.920 2.458 ( -1.883 -6.221 -0.613) 6.529 2.536 ( 12.111 4.154 1.036) 12.846 2.886 ( 3.460 -20.061 -1.330) 20.400 3.326 ( -0.298 1.746 -6.207) 6.455 3.391 ( 0.570 -2.442 -5.108) 5.690 3.477 ( 14.195 2.559 5.833) 15.559 3.536 ( 19.718 -0.464 -0.902) 19.744 3.593 ( 4.089 4.029 2.368) 6.210 3.719 ( 3.190 -4.563 -4.976) 7.467 3.797 ( 0.779 4.912 5.212) 7.204 3.879 ( 5.675 -0.964 4.734) 7.453 3.985 ( 8.936 4.419 -0.185) 9.971 4.102 ( 0.688 -4.578 -1.675) 4.923 4.384 ( 7.480 6.937 2.622) 10.533 4.492 ( 7.376 -1.850 1.421) 7.736 5.229 ( 1.544 1.864 -4.773) 5.351 5.278 ( 1.320 -2.024 -4.941) 5.500 5.801 ( 5.370 1.719 -4.918) 7.482 5.848 ( 6.240 -2.314 -3.566) 7.550 5.988 ( 20.973 3.012 -0.785) 21.203 6.008 ( 20.619 1.188 -3.172) 20.895 6.686 ( -8.635 -1.451 -6.867) 11.128 6.712 ( -7.641 -3.341 -4.560) 9.504 7.083 ( 4.216 2.469 7.261) 8.752 7.131 ( 5.462 -1.530 8.203) 9.973 7.720 ( -7.705 3.785 1.172) 8.664 7.847 ( -9.792 -6.331 3.641) 12.216 8.723 ( -2.241 5.131 -1.836) 5.892 8.845 ( 1.299 -4.673 -1.238) 5.005 9.279 ( 3.053 2.572 -1.668) 4.326 9.353 ( 2.963 -3.334 -1.509) 4.709 9.932 ( 4.636 2.467 -2.613) 5.865 9.965 ( 4.777 -0.285 -1.968) 5.174 11.127 ( -4.347 0.633 7.005) 8.269 11.145 ( -4.427 -0.837 7.685) 8.908 11.268 ( -0.359 1.119 0.379) 1.235 11.292 ( 0.422 -0.890 0.254) 1.017 11.991 ( 5.042 2.478 0.116) 5.620 12.052 ( 4.232 -2.357 -0.731) 4.899 12.348 ( 2.801 0.411 1.592) 3.248 12.360 ( 3.174 -0.471 2.295) 3.945 13.773 ( -7.247 1.206 -0.362) 7.356 13.802 ( -6.026 -1.106 -1.250) 6.253 14.083 ( 2.181 1.055 3.815) 4.519 14.111 ( 0.018 -1.215 4.291) 4.460 14.315 ( 0.256 0.683 0.030) 0.730 14.331 ( -0.237 -0.560 0.081) 0.613 14.930 ( 4.297 2.593 -6.256) 8.021 14.994 ( 7.239 -2.466 -5.099) 9.192 16.555 ( -10.003 1.242 0.222) 10.082 16.584 ( -9.126 -1.049 1.456) 9.301 17.247 ( -2.674 1.697 0.420) 3.195 17.298 ( -1.028 -2.368 2.409) 3.531 17.923 ( 0.723 1.550 0.119) 1.715 17.960 ( 0.482 -1.456 -1.207) 1.952 18.527 ( -3.328 2.427 -0.514) 4.150 18.590 ( -1.707 -2.575 -0.173) 3.094 20.035 ( 12.180 2.090 1.447) 12.442 20.071 ( 9.186 -0.725 1.482) 9.333 20.246 ( -0.218 0.981 0.363) 1.069 20.269 ( 0.197 -0.806 0.702) 1.087 20.724 ( -3.322 1.123 -0.453) 3.536 20.752 ( -2.122 -1.108 -0.662) 2.484 21.161 ( -7.828 2.042 0.198) 8.093 21.224 ( -6.820 -2.801 0.409) 7.384 21.580 ( 1.946 2.960 0.293) 3.555 21.658 ( 2.901 -3.036 -0.289) 4.210 21.980 ( 0.007 1.724 -0.231) 1.740 22.050 ( -0.280 -4.305 -0.105) 4.315 22.700 ( 3.026 6.128 0.262) 6.840 22.823 ( 1.591 -3.973 0.269) 4.288 26.337 ( -10.272 2.944 -1.034) 10.736 26.434 ( -9.615 -5.059 -2.292) 11.104 26.975 ( -5.832 2.569 -0.220) 6.377 27.013 ( -5.194 -0.745 -0.040) 5.247 27.832 ( -0.107 0.955 -0.397) 1.039 27.874 ( 2.591 -2.681 0.960) 3.850 27.990 ( 0.521 1.315 0.544) 1.515 28.007 ( 1.265 -0.128 -0.188) 1.285 28.807 ( 19.604 0.800 0.780) 19.636 28.830 ( 21.663 -1.081 0.601) 21.699 29.119 ( -12.760 5.040 0.647) 13.734 29.230 ( -13.233 -3.803 1.613) 13.862 30.422 ( 4.403 9.688 0.559) 10.656 30.726 ( 2.938 -15.693 1.016) 15.998 31.840 ( -1.721 12.727 -1.689) 12.953 32.042 ( 1.133 -4.815 -0.530) 4.975 32.488 ( -6.951 5.465 0.106) 8.842 32.660 ( -9.976 -7.896 0.060) 12.723 35.487 ( 11.159 3.764 0.592) 11.791 35.590 ( 12.885 -4.636 0.865) 13.721 35.947 ( 14.746 4.319 -0.107) 15.366 36.044 ( 17.329 -3.657 -2.055) 17.829 37.639 ( 4.287 9.786 0.808) 10.714 37.859 ( 2.373 -7.733 0.649) 8.115 41.072 ( -0.879 2.769 1.415) 3.231 41.177 ( -1.039 -6.436 0.592) 6.546 41.815 ( -2.817 17.371 -2.232) 17.739 42.269 ( -5.629 -21.225 -3.140) 22.182 43.435 ( -12.670 18.121 -5.425) 22.767 43.780 ( -15.902 -10.987 -4.660) 19.882 ======================= Grid point 164 (96/100) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 3.698 2.593 -0.760) 4.580 1.644 ( 6.522 -1.375 -1.993) 6.957 1.902 ( 8.678 7.029 -7.833) 13.641 2.083 ( 4.726 -6.919 -4.904) 9.709 2.203 ( 3.625 4.997 2.516) 6.666 2.351 ( 1.536 -7.865 1.255) 8.112 2.524 ( 18.349 5.407 2.001) 19.234 2.602 ( 15.015 3.957 4.096) 16.059 2.724 ( 7.268 4.301 -1.879) 8.652 2.962 ( 5.878 -13.022 -5.364) 15.260 3.290 ( -0.922 -1.153 -0.216) 1.492 3.331 ( -3.820 -2.975 -2.679) 5.534 3.525 ( -1.978 7.339 0.152) 7.602 3.630 ( -3.944 4.738 -4.479) 7.620 3.681 ( -4.335 -3.580 2.408) 6.116 3.749 ( -7.755 -3.416 -4.849) 9.763 4.005 ( 17.170 0.876 3.210) 17.489 4.044 ( 12.687 -1.115 2.750) 13.029 4.251 ( 13.748 3.451 3.856) 14.689 4.310 ( 15.829 -1.783 0.984) 15.960 4.608 ( 14.816 5.304 3.319) 16.083 4.721 ( 15.544 -3.897 2.362) 16.198 5.208 ( -0.777 1.813 -8.838) 9.055 5.244 ( -1.543 -0.855 -10.628) 10.773 6.002 ( 18.334 1.548 -4.010) 18.831 6.078 ( 20.581 -4.939 -2.394) 21.300 6.387 ( 7.860 3.472 -6.545) 10.802 6.464 ( 1.935 -2.828 -8.839) 9.480 6.566 ( 20.577 5.058 2.166) 21.300 6.701 ( 19.954 -6.245 2.921) 21.112 7.219 ( 9.143 1.790 5.257) 10.698 7.263 ( 4.290 -1.517 6.988) 8.339 7.551 ( -7.899 3.977 1.070) 8.908 7.648 ( -9.563 -3.905 2.234) 10.568 8.687 ( -0.811 7.201 -1.017) 7.317 8.846 ( -1.117 -5.305 -1.329) 5.582 9.367 ( 7.686 1.735 -1.651) 8.050 9.431 ( 6.737 -3.219 -2.972) 8.037 10.057 ( 10.676 1.626 -5.704) 12.213 10.087 ( 10.646 -0.805 -4.658) 11.648 11.097 ( -2.942 0.816 11.707) 12.098 11.122 ( -2.164 -1.290 12.636) 12.885 11.279 ( 1.528 1.058 0.839) 2.039 11.300 ( 0.451 -0.684 0.718) 1.090 12.107 ( 6.998 1.538 -0.583) 7.188 12.144 ( 6.048 -1.361 -1.222) 6.319 12.417 ( 2.822 0.832 3.795) 4.801 12.440 ( 3.073 -0.979 5.300) 6.204 13.602 ( -9.952 1.550 -1.140) 10.137 13.642 ( -9.508 -1.690 -1.835) 9.830 14.131 ( 0.288 1.065 6.306) 6.401 14.159 ( 1.820 -1.151 5.078) 5.516 14.317 ( 0.181 0.922 0.217) 0.964 14.338 ( 1.054 -0.674 0.143) 1.260 15.036 ( 11.018 4.796 -9.031) 15.032 15.153 ( 12.904 -4.536 -7.246) 15.479 16.295 ( -17.033 1.973 0.429) 17.153 16.346 ( -16.166 -2.051 1.781) 16.392 17.187 ( -4.013 2.969 1.096) 5.111 17.266 ( -3.581 -3.339 2.426) 5.465 17.958 ( 2.013 0.882 0.381) 2.230 17.979 ( 2.291 -0.771 -1.252) 2.722 18.445 ( -5.069 2.973 -0.426) 5.892 18.521 ( -5.429 -3.124 -0.224) 6.268 20.197 ( 0.188 0.385 0.292) 0.518 20.216 ( -0.546 -1.112 0.696) 1.421 20.266 ( 1.690 2.387 1.434) 3.257 20.304 ( 4.279 -0.245 2.546) 4.985 20.643 ( -4.739 1.486 -0.868) 5.042 20.685 ( -4.490 -1.947 -0.591) 4.929 20.993 ( -7.387 3.408 0.512) 8.151 21.084 ( -5.672 -3.658 0.646) 6.781 21.614 ( 0.932 4.093 0.328) 4.210 21.715 ( 2.764 -3.711 -0.309) 4.638 21.975 ( -0.525 1.643 -0.412) 1.773 22.041 ( -0.753 -3.990 -0.243) 4.067 22.812 ( 9.281 4.176 0.673) 10.199 22.895 ( 6.515 -2.550 0.384) 7.006 26.139 ( -8.624 2.541 -2.364) 9.296 26.214 ( -10.816 -3.567 -3.771) 11.997 26.779 ( -15.287 2.262 -0.105) 15.454 26.824 ( -15.377 -1.374 -0.129) 15.438 27.725 ( -9.766 2.467 -0.825) 10.107 27.810 ( -10.114 -4.583 1.159) 11.164 27.995 ( 1.110 2.179 -0.340) 2.469 28.035 ( 1.821 -1.064 -0.463) 2.159 28.830 ( -16.177 4.732 0.567) 16.865 28.939 ( -16.562 -4.028 1.865) 17.146 29.381 ( 35.992 2.452 2.904) 36.192 29.448 ( 37.990 -2.945 4.730) 38.396 30.550 ( 8.999 9.236 0.889) 12.926 30.822 ( 6.902 -13.551 1.317) 15.264 31.773 ( -4.260 15.222 -3.243) 16.136 32.053 ( -0.346 -7.724 -1.633) 7.902 32.337 ( -7.699 1.692 0.335) 7.890 32.412 ( -13.962 -4.609 -1.290) 14.760 35.729 ( 12.865 4.950 -0.314) 13.787 35.870 ( 14.505 -6.703 0.264) 15.981 36.349 ( 25.709 6.362 2.251) 26.580 36.480 ( 28.173 -4.486 0.579) 28.533 37.785 ( 10.959 7.098 1.943) 13.201 37.945 ( 6.487 -5.623 2.115) 8.842 41.062 ( -1.172 2.603 2.833) 4.022 41.156 ( -1.704 -5.504 1.486) 5.950 41.732 ( -4.159 14.391 -3.417) 15.364 42.105 ( -9.144 -17.097 -5.105) 20.049 43.083 ( -19.747 14.002 -9.616) 26.047 43.351 ( -24.772 -8.574 -8.653) 27.605 ======================= Grid point 165 (97/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 7.998 2.045 -3.756) 9.070 1.755 ( 7.223 -2.566 -4.513) 8.895 2.046 ( 8.359 3.370 -3.190) 9.560 2.171 ( 5.706 -7.105 -2.558) 9.465 2.267 ( 3.566 3.668 -0.276) 5.123 2.369 ( 0.928 -4.622 -1.031) 4.826 2.764 ( 2.767 5.157 -1.601) 6.067 2.780 ( 4.720 3.975 -2.836) 6.791 2.865 ( 9.241 5.145 -1.264) 10.652 3.039 ( 4.420 -6.880 -6.423) 10.399 3.241 ( -4.070 0.926 -4.313) 6.002 3.312 ( -0.154 -1.833 3.542) 3.991 3.416 ( -2.535 1.597 -11.243) 11.635 3.518 ( -9.861 -4.792 -7.707) 13.401 3.583 ( 0.798 4.305 7.008) 8.263 3.678 ( 0.277 -2.955 9.436) 9.891 4.229 ( 6.550 2.317 2.775) 7.482 4.247 ( 6.103 0.877 2.940) 6.831 4.416 ( 2.566 1.839 0.440) 3.187 4.468 ( 0.748 -3.024 -1.687) 3.542 4.964 ( 19.463 4.312 5.157) 20.591 5.067 ( 16.490 -3.881 2.919) 17.190 5.138 ( 0.850 0.802 -7.824) 7.910 5.159 ( -0.275 -0.794 -8.542) 8.583 6.200 ( -3.696 -1.392 -2.911) 4.906 6.213 ( -4.201 -1.952 -5.946) 7.537 6.376 ( 0.459 5.486 -1.692) 5.759 6.521 ( 4.345 -6.811 -0.963) 8.136 6.921 ( 7.383 5.480 5.147) 10.537 7.059 ( 2.953 -5.928 4.862) 8.216 7.413 ( 18.472 5.149 -1.346) 19.224 7.504 ( 15.730 -2.851 -2.199) 16.137 7.690 ( 26.009 2.344 1.761) 26.174 7.745 ( 18.985 -2.196 2.302) 19.250 8.657 ( -3.312 5.536 0.515) 6.472 8.771 ( -6.462 -3.507 -0.916) 7.409 9.575 ( 15.395 0.895 -0.474) 15.428 9.609 ( 14.708 -1.807 -2.887) 15.098 10.295 ( 18.216 2.394 -6.021) 19.334 10.352 ( 19.810 -2.182 -7.724) 21.374 11.138 ( 0.993 1.449 11.992) 12.120 11.176 ( 0.699 -1.575 12.661) 12.777 11.327 ( 3.896 1.448 0.961) 4.266 11.370 ( 8.066 -2.029 1.312) 8.420 12.247 ( 9.078 1.819 -1.367) 9.359 12.287 ( 10.225 -1.373 -1.151) 10.381 12.487 ( 2.228 1.187 5.639) 6.178 12.520 ( 2.317 -1.471 7.401) 7.893 13.408 ( -9.426 1.505 -1.397) 9.647 13.448 ( -9.658 -1.657 -2.087) 10.019 14.153 ( -1.092 1.488 5.171) 5.491 14.191 ( -0.771 -1.572 3.536) 3.945 14.339 ( 2.321 1.442 0.195) 2.739 14.374 ( 2.881 -1.291 -0.022) 3.157 15.261 ( 16.708 5.943 -7.652) 19.314 15.406 ( 16.646 -5.617 -5.841) 18.514 15.960 ( -17.434 2.774 0.477) 17.660 16.030 ( -17.070 -2.809 1.697) 17.383 17.112 ( -4.157 3.062 0.749) 5.217 17.192 ( -4.944 -3.291 1.281) 6.076 17.962 ( -2.231 1.877 -0.662) 2.990 18.007 ( -0.863 -1.655 0.387) 1.906 18.334 ( -6.805 2.087 0.743) 7.156 18.390 ( -8.483 -2.342 0.731) 8.831 20.107 ( -11.237 1.278 0.187) 11.311 20.126 ( -8.269 -0.466 -0.089) 8.283 20.160 ( -11.005 1.850 0.431) 11.168 20.211 ( -14.885 -2.019 1.295) 15.077 20.547 ( -4.837 0.904 -0.656) 4.964 20.580 ( -6.273 -1.715 -0.557) 6.527 20.991 ( 5.257 4.071 1.270) 6.769 21.092 ( 4.962 -3.998 0.790) 6.421 21.610 ( -1.180 6.097 -0.293) 6.217 21.746 ( 0.691 -4.545 -0.538) 4.629 21.958 ( -0.891 1.363 -0.387) 1.674 22.014 ( -2.009 -3.318 -0.375) 3.897 23.075 ( 18.015 1.381 1.592) 18.137 23.098 ( 15.634 -0.475 -0.030) 15.641 26.012 ( -3.573 0.782 -3.043) 4.757 26.036 ( -5.111 -1.109 -3.809) 6.470 26.400 ( -24.383 1.823 0.065) 24.451 26.442 ( -24.371 -1.457 -0.046) 24.415 27.509 ( -11.788 1.743 -1.015) 11.959 27.571 ( -14.048 -3.269 -0.003) 14.423 28.014 ( 0.636 2.145 -0.412) 2.275 28.057 ( 0.624 -1.361 -0.485) 1.574 28.549 ( -13.526 4.168 0.543) 14.164 28.647 ( -14.901 -3.680 1.399) 15.412 30.057 ( 31.703 3.396 3.128) 32.038 30.159 ( 31.719 -4.958 6.165) 32.691 30.770 ( 13.368 8.448 1.461) 15.881 30.998 ( 10.769 -11.018 1.460) 15.476 31.657 ( -5.507 13.512 -4.065) 15.147 31.931 ( -11.172 -9.178 -5.728) 15.552 32.232 ( -2.668 1.235 0.737) 3.031 32.271 ( 0.202 -1.861 2.044) 2.772 35.930 ( 8.373 5.495 -1.213) 10.088 36.091 ( 8.703 -7.788 -0.848) 11.710 36.861 ( 25.627 9.045 3.261) 27.372 37.052 ( 29.490 -6.618 4.516) 30.559 38.063 ( 16.636 3.183 1.018) 16.968 38.132 ( 11.446 -2.312 6.220) 13.231 41.060 ( -0.646 2.092 4.154) 4.695 41.130 ( -1.861 -3.851 2.390) 4.900 41.640 ( -3.722 9.959 -3.032) 11.056 41.896 ( -10.007 -11.297 -5.321) 16.003 42.647 ( -20.174 8.724 -11.605) 24.855 42.820 ( -25.520 -5.668 -10.738) 28.261 ======================= Grid point 166 (98/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 9.092 0.820 -5.432) 10.623 1.867 ( 7.016 -1.129 -6.391) 9.557 2.159 ( 4.456 2.273 -1.056) 5.112 2.245 ( 2.548 -5.165 -0.507) 5.782 2.348 ( 5.161 0.308 -3.322) 6.146 2.388 ( 2.385 -2.788 -0.859) 3.768 2.692 ( -5.273 7.962 -4.293) 10.470 2.826 ( -1.620 -1.013 -1.016) 2.164 2.934 ( -0.980 1.318 -6.527) 6.730 3.010 ( -0.820 -2.204 -4.567) 5.137 3.137 ( -3.263 3.654 -9.602) 10.779 3.285 ( -8.179 -6.479 -8.625) 13.538 3.326 ( 4.882 6.476 -1.016) 8.173 3.465 ( 3.809 -4.807 -0.348) 6.142 3.727 ( 7.733 2.546 12.786) 15.158 3.777 ( 4.649 -1.712 10.744) 11.831 4.284 ( -1.293 3.407 1.929) 4.123 4.315 ( 0.660 2.682 -0.882) 2.899 4.391 ( -4.217 -3.453 -0.394) 5.464 4.414 ( -3.117 -3.170 -1.452) 4.677 5.062 ( -1.277 1.583 -4.868) 5.276 5.105 ( 1.655 -2.152 -4.365) 5.141 5.406 ( 19.962 3.280 4.005) 20.623 5.461 ( 17.651 -1.326 3.439) 18.031 6.056 ( -7.877 -0.054 -2.050) 8.140 6.080 ( -6.521 -1.996 -3.580) 7.702 6.245 ( -10.899 5.177 -2.081) 12.244 6.375 ( -13.371 -5.524 -0.040) 14.467 7.023 ( 3.554 4.191 4.528) 7.121 7.114 ( 2.902 -3.100 2.988) 5.192 7.768 ( 16.668 2.456 -1.062) 16.881 7.843 ( 16.484 -3.983 -1.898) 17.064 8.098 ( 14.285 2.476 0.717) 14.516 8.149 ( 16.501 -0.560 -1.041) 16.544 8.537 ( -9.687 2.694 1.031) 10.107 8.606 ( -9.917 -2.654 -0.122) 10.267 9.937 ( 21.437 0.963 0.860) 21.476 9.966 ( 22.493 -1.410 -0.621) 22.546 10.606 ( 13.173 3.389 -4.094) 14.205 10.684 ( 16.668 -2.867 -6.837) 18.243 11.213 ( 1.426 1.109 7.097) 7.324 11.242 ( 0.965 -1.197 7.773) 7.924 11.518 ( 17.293 4.697 1.085) 17.952 11.645 ( 19.979 -5.416 1.408) 20.747 12.457 ( 12.223 2.495 1.100) 12.523 12.511 ( 10.803 -1.753 -1.475) 11.043 12.564 ( 6.269 1.371 3.668) 7.391 12.606 ( 4.511 -1.886 7.669) 9.095 13.249 ( -6.599 0.936 -1.199) 6.772 13.272 ( -7.752 -0.933 -1.924) 8.042 14.136 ( -2.697 1.265 3.294) 4.441 14.168 ( -2.768 -1.272 2.016) 3.653 14.417 ( 5.976 1.507 -0.091) 6.164 14.454 ( 5.917 -1.479 -0.460) 6.117 15.566 ( 16.947 4.304 -4.332) 18.013 15.642 ( -2.308 -0.887 -1.190) 2.744 15.746 ( 7.680 -1.133 -1.411) 7.891 15.765 ( -9.702 -1.816 1.166) 9.939 17.051 ( -2.070 2.182 -0.368) 3.030 17.109 ( -3.488 -2.486 -0.364) 4.298 17.832 ( -11.919 2.637 -0.276) 12.211 17.897 ( -11.680 -2.533 0.460) 11.960 18.186 ( -10.082 0.831 2.307) 10.375 18.210 ( -11.535 -1.062 2.743) 11.904 19.826 ( -14.727 2.160 0.371) 14.890 19.877 ( -15.393 -1.875 0.932) 15.535 19.912 ( -14.772 1.268 -1.167) 14.872 19.945 ( -13.484 -1.236 -1.911) 13.674 20.453 ( -4.901 0.612 -0.349) 4.952 20.476 ( -3.668 -1.198 -0.509) 3.892 21.091 ( 3.662 3.531 0.911) 5.168 21.189 ( 3.766 -4.558 0.389) 5.925 21.582 ( -1.127 7.564 -0.719) 7.681 21.741 ( -0.625 -5.230 -0.664) 5.309 21.943 ( -0.466 0.638 -0.220) 0.820 21.972 ( -1.937 -1.751 -0.414) 2.644 23.467 ( 23.743 1.939 0.994) 23.842 23.511 ( 26.074 -1.536 0.693) 26.128 25.879 ( -27.769 1.510 -0.388) 27.812 25.919 ( -21.881 -1.696 -1.095) 21.974 25.981 ( -6.106 1.332 -1.886) 6.528 26.010 ( 0.044 -1.018 -2.180) 2.406 27.291 ( -10.612 0.747 -0.791) 10.668 27.318 ( -11.837 -1.472 -0.792) 11.955 28.014 ( -0.313 1.817 -0.243) 1.860 28.054 ( -0.625 -1.405 -0.353) 1.578 28.330 ( -9.838 2.794 0.370) 10.234 28.398 ( -11.867 -2.596 0.710) 12.168 30.546 ( 18.302 3.015 1.993) 18.655 30.640 ( 16.674 -4.869 3.686) 17.757 31.034 ( 12.673 7.239 1.618) 14.685 31.211 ( 9.974 -7.952 1.363) 12.829 31.563 ( -1.955 6.775 -2.926) 7.634 31.691 ( -9.473 -4.108 -5.569) 11.731 32.257 ( 3.849 3.431 1.208) 5.296 32.349 ( 5.414 -3.903 3.139) 7.375 36.033 ( 3.617 5.583 -1.295) 6.777 36.196 ( 3.396 -7.644 -1.067) 8.432 37.305 ( 19.462 11.217 2.554) 22.608 37.573 ( 22.239 -10.566 5.005) 25.125 38.355 ( 13.717 4.119 0.646) 14.337 38.432 ( 14.908 -2.246 7.774) 16.963 41.079 ( 0.513 0.960 4.887) 5.007 41.111 ( -1.315 -1.653 2.667) 3.402 41.573 ( -2.248 4.906 -1.206) 5.530 41.693 ( -8.828 -4.829 -3.952) 10.810 42.247 ( -15.926 3.544 -11.089) 19.727 42.327 ( -20.685 -2.910 -10.611) 23.429 ======================= Grid point 167 (99/100) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 4.675 0.375 -5.091) 6.922 1.968 ( 6.048 -0.703 -4.549) 7.600 2.214 ( 2.241 2.101 -0.331) 3.090 2.266 ( 0.022 -1.829 0.623) 1.932 2.392 ( 2.080 1.652 -2.753) 3.826 2.469 ( 4.032 -3.366 0.768) 5.308 2.570 ( -4.233 6.111 -3.716) 8.311 2.705 ( -7.389 -4.760 -4.106) 9.701 2.872 ( -1.149 5.151 -3.784) 6.494 2.978 ( -3.297 -2.940 -5.597) 7.130 3.090 ( 2.438 -0.496 -2.832) 3.770 3.111 ( -4.989 -1.849 -5.367) 7.557 3.442 ( 4.934 3.836 1.878) 6.526 3.515 ( 0.964 -2.066 0.773) 2.407 3.931 ( 7.074 -0.447 10.664) 12.805 3.944 ( 8.113 -1.587 9.385) 12.507 4.240 ( -3.723 1.796 -2.190) 4.678 4.262 ( -3.558 1.123 -2.342) 4.405 4.327 ( -3.359 -2.325 -0.824) 4.168 4.336 ( -3.307 -2.968 -1.065) 4.570 5.028 ( -0.644 5.663 -2.130) 6.085 5.127 ( 1.802 -2.486 -1.930) 3.627 5.722 ( 9.327 0.531 1.108) 9.407 5.728 ( 9.267 0.513 1.724) 9.440 5.885 ( -8.942 1.694 0.464) 9.113 5.941 ( -6.373 -2.803 -1.910) 7.220 6.111 ( -0.603 3.104 -1.194) 3.380 6.184 ( -5.072 -2.849 -0.614) 5.850 7.129 ( 5.528 2.685 3.130) 6.896 7.185 ( 3.011 -1.841 1.958) 4.036 7.970 ( 4.381 3.152 -1.920) 5.728 8.056 ( 7.156 -4.359 -1.634) 8.537 8.227 ( 0.307 1.457 0.600) 1.606 8.292 ( -1.909 -3.150 -2.258) 4.320 8.391 ( -1.278 3.096 1.615) 3.718 8.448 ( -5.090 -1.593 0.903) 5.410 10.296 ( 13.928 1.830 1.434) 14.121 10.346 ( 15.172 -2.185 1.014) 15.362 10.727 ( 2.940 5.724 -2.266) 6.822 10.863 ( 5.569 -5.181 -2.853) 8.123 11.249 ( 0.326 1.446 2.038) 2.520 11.283 ( 0.615 -1.345 2.821) 3.185 11.906 ( 18.718 5.128 0.277) 19.410 12.035 ( 17.315 -5.177 0.941) 18.096 12.582 ( 0.868 0.533 4.543) 4.655 12.589 ( 1.782 -0.137 0.768) 1.945 12.803 ( 13.823 1.391 -1.008) 13.929 12.851 ( 13.636 -2.343 2.151) 14.002 13.147 ( -3.967 0.693 -1.629) 4.344 13.157 ( -2.934 -0.185 -0.564) 2.993 14.093 ( -2.584 0.989 1.782) 3.291 14.118 ( -3.098 -0.998 1.389) 3.539 14.541 ( 6.113 1.540 -0.258) 6.309 14.579 ( 6.577 -1.423 -0.788) 6.775 15.556 ( -0.860 2.123 0.677) 2.389 15.613 ( -1.765 -2.523 0.836) 3.190 15.909 ( 14.426 3.728 -1.466) 14.972 15.989 ( 11.643 -2.742 -0.987) 12.002 17.040 ( 1.451 1.163 -1.883) 2.646 17.075 ( 0.453 -1.601 -1.445) 2.204 17.537 ( -16.860 2.505 0.064) 17.046 17.600 ( -17.400 -2.446 0.275) 17.573 17.977 ( -12.284 0.462 2.934) 12.638 17.992 ( -12.439 -0.731 3.552) 12.957 19.619 ( -7.638 1.489 -0.474) 7.796 19.651 ( -9.991 1.495 -0.828) 10.136 19.660 ( -8.941 -1.823 -0.898) 9.170 19.685 ( -9.831 -1.106 -0.949) 9.938 20.383 ( -2.351 1.554 -0.141) 2.822 20.426 ( -1.659 -1.849 -0.289) 2.501 21.135 ( 0.969 3.235 0.348) 3.395 21.231 ( 0.944 -5.003 0.060) 5.092 21.566 ( -0.341 7.833 -0.496) 7.856 21.727 ( -0.473 -5.465 -0.381) 5.498 21.937 ( -0.192 0.072 -0.141) 0.249 21.943 ( -0.842 -0.435 -0.251) 0.981 23.962 ( 26.987 2.794 0.656) 27.139 24.030 ( 27.155 -2.593 0.635) 27.286 25.327 ( -28.544 2.469 -0.383) 28.653 25.391 ( -27.817 -2.620 0.057) 27.940 25.992 ( 2.394 2.041 -1.629) 3.543 26.040 ( 2.357 -1.784 -1.453) 3.294 27.117 ( -6.848 0.722 -0.331) 6.893 27.138 ( -6.674 -0.896 -0.661) 6.766 28.007 ( -0.260 1.261 -0.040) 1.288 28.036 ( -1.038 -1.050 -0.172) 1.486 28.189 ( -5.087 1.212 0.198) 5.233 28.219 ( -6.955 -1.209 0.189) 7.061 30.776 ( 6.417 2.263 0.663) 6.837 30.849 ( 5.425 -3.861 1.500) 6.826 31.227 ( 6.841 5.629 0.511) 8.873 31.344 ( 3.271 -3.806 0.276) 5.026 31.552 ( -2.768 0.259 -2.910) 4.024 31.568 ( 2.441 -1.080 -0.778) 2.780 32.351 ( 4.444 4.709 1.011) 6.553 32.465 ( 4.587 -4.384 2.244) 6.730 36.069 ( 1.090 5.528 -0.768) 5.687 36.228 ( 0.871 -7.297 -0.660) 7.378 37.600 ( 10.437 12.130 1.384) 16.062 37.911 ( 11.441 -13.520 2.749) 17.924 38.577 ( 8.434 6.767 1.624) 10.934 38.696 ( 9.141 -3.442 4.149) 10.612 41.109 ( -0.132 0.217 1.991) 2.007 41.121 ( 1.412 -0.763 3.893) 4.211 41.538 ( -5.392 0.856 -1.553) 5.676 41.544 ( -1.271 0.460 0.573) 1.469 41.957 ( -10.699 0.312 -7.298) 12.955 41.975 ( -10.309 -1.041 -8.135) 13.174 ======================= Grid point 168 (100/100) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -0.000 0.673 0.000) 0.673 2.015 ( -0.000 -1.570 0.000) 1.570 2.247 ( -0.000 1.504 0.000) 1.504 2.259 ( -0.000 0.533 0.000) 0.533 2.399 ( -0.000 5.709 0.000) 5.709 2.521 ( 0.000 2.538 0.000) 2.538 2.525 ( -0.000 -3.865 -0.000) 3.865 2.600 ( -0.000 -4.054 0.000) 4.054 2.851 ( -0.000 2.603 0.000) 2.603 2.913 ( -0.000 -2.037 0.000) 2.037 3.062 ( -0.000 1.313 0.000) 1.313 3.116 ( -0.000 -3.035 0.000) 3.035 3.496 ( -0.000 1.340 0.000) 1.340 3.519 ( -0.000 -0.858 0.000) 0.858 4.100 ( -0.000 -0.115 0.000) 0.115 4.108 ( -0.000 -0.385 -0.000) 0.385 4.112 ( 0.000 0.337 0.000) 0.337 4.172 ( -0.000 -5.161 0.000) 5.161 4.295 ( 0.000 -0.145 -0.000) 0.145 4.298 ( -0.000 0.216 0.000) 0.216 5.017 ( -0.000 7.930 0.000) 7.930 5.141 ( -0.000 -2.288 0.000) 2.288 5.770 ( -0.000 1.832 0.000) 1.832 5.801 ( -0.000 1.601 -0.000) 1.601 5.835 ( -0.000 -0.764 -0.000) 0.764 5.858 ( -0.000 -4.542 0.000) 4.542 6.133 ( -0.000 1.473 0.000) 1.473 6.150 ( -0.000 -0.055 0.000) 0.055 7.208 ( -0.000 1.090 0.000) 1.090 7.223 ( -0.000 -0.367 0.000) 0.367 7.969 ( -0.000 5.011 0.000) 5.011 8.103 ( -0.000 -6.271 0.000) 6.271 8.222 ( -0.000 -0.160 0.000) 0.160 8.241 ( -0.000 -1.376 0.000) 1.376 8.413 ( -0.000 0.501 0.000) 0.501 8.413 ( 0.000 0.343 -0.000) 0.343 10.434 ( -0.000 2.143 0.000) 2.143 10.495 ( -0.000 -2.737 0.000) 2.737 10.744 ( -0.000 6.842 0.000) 6.842 10.905 ( -0.000 -6.016 0.000) 6.016 11.255 ( -0.000 1.751 0.000) 1.751 11.293 ( -0.000 -1.347 0.000) 1.347 12.096 ( -0.000 4.682 0.000) 4.682 12.212 ( -0.000 -4.617 0.000) 4.617 12.602 ( -0.000 0.092 0.000) 0.092 12.603 ( -0.000 -0.102 0.000) 0.102 12.946 ( -0.000 1.263 -0.000) 1.263 12.993 ( -0.000 -2.666 -0.000) 2.666 13.113 ( -0.000 1.526 0.000) 1.526 13.134 ( -0.000 -0.335 0.000) 0.335 14.078 ( -0.000 0.015 -0.000) 0.015 14.079 ( 0.000 -0.028 0.000) 0.028 14.603 ( -0.000 1.825 0.000) 1.825 14.646 ( -0.000 -1.620 0.000) 1.620 15.574 ( -0.000 1.715 0.000) 1.715 15.618 ( -0.000 -1.828 0.000) 1.828 16.059 ( -0.000 2.170 0.000) 2.170 16.105 ( -0.000 -1.515 0.000) 1.515 17.062 ( 0.000 0.798 -0.000) 0.798 17.087 ( -0.000 -1.211 0.000) 1.211 17.344 ( -0.000 2.313 0.000) 2.313 17.401 ( -0.000 -2.160 0.000) 2.160 17.846 ( 0.000 0.064 0.000) 0.064 17.852 ( -0.000 -0.471 0.000) 0.471 19.524 ( -0.000 0.495 0.000) 0.495 19.545 ( -0.000 -1.120 0.000) 1.120 19.574 ( -0.000 1.929 0.000) 1.929 19.613 ( -0.000 -1.309 0.000) 1.309 20.361 ( -0.000 1.813 0.000) 1.813 20.409 ( -0.000 -2.049 0.000) 2.049 21.143 ( -0.000 3.133 0.000) 3.133 21.239 ( -0.000 -5.076 0.000) 5.076 21.562 ( -0.000 7.793 0.000) 7.793 21.722 ( -0.000 -5.510 0.000) 5.510 21.933 ( -0.000 0.121 0.000) 0.121 21.937 ( -0.000 -0.229 0.000) 0.229 24.332 ( -0.000 2.036 0.000) 2.036 24.378 ( 0.000 -1.650 0.000) 1.650 24.958 ( -0.000 2.565 0.000) 2.565 25.027 ( -0.000 -2.948 0.000) 2.948 26.015 ( -0.000 1.946 0.000) 1.946 26.061 ( -0.000 -1.705 0.000) 1.705 27.050 ( -0.000 0.834 0.000) 0.834 27.071 ( -0.000 -0.842 0.000) 0.842 28.005 ( -0.000 0.773 0.000) 0.773 28.023 ( -0.000 -0.689 0.000) 0.689 28.142 ( -0.000 0.368 0.000) 0.368 28.151 ( -0.000 -0.356 0.000) 0.356 30.832 ( -0.000 1.984 0.000) 1.984 30.898 ( -0.000 -3.486 0.000) 3.486 31.292 ( -0.000 4.244 0.000) 4.244 31.366 ( -0.000 -1.982 0.000) 1.982 31.526 ( -0.000 2.195 0.000) 2.195 31.601 ( -0.000 -3.785 0.000) 3.785 32.400 ( -0.000 4.981 0.000) 4.981 32.517 ( -0.000 -4.383 0.000) 4.383 36.077 ( -0.000 5.488 0.000) 5.488 36.233 ( -0.000 -7.150 0.000) 7.150 37.702 ( -0.000 12.339 0.000) 12.339 38.026 ( -0.000 -14.401 0.000) 14.401 38.663 ( -0.000 7.560 0.000) 7.560 38.794 ( -0.000 -3.753 0.000) 3.753 41.116 ( -0.000 0.884 0.000) 0.884 41.149 ( -0.000 -1.849 0.000) 1.849 41.478 ( -0.000 3.190 0.000) 3.190 41.537 ( -0.000 -1.562 0.000) 1.562 41.824 ( -0.000 1.194 0.000) 1.194 41.863 ( -0.000 -1.808 0.000) 1.808 =================== 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 3/31104 10.0 263.873 119.325 365.451 0.000 -21.285 0.000 3/31104 20.0 74.051 25.679 57.808 0.000 0.802 0.000 3/31104 30.0 32.910 11.356 21.937 0.000 0.668 0.000 3/31104 40.0 19.429 6.799 12.326 0.000 0.573 0.000 3/31104 50.0 13.519 4.738 8.403 0.000 0.501 0.000 3/31104 60.0 10.369 3.605 6.352 0.000 0.439 0.000 3/31104 70.0 8.461 2.902 5.109 0.000 0.389 0.000 3/31104 80.0 7.197 2.429 4.281 0.000 0.348 0.000 3/31104 90.0 6.302 2.091 3.692 0.000 0.314 0.000 3/31104 100.0 5.636 1.838 3.252 0.000 0.286 0.000 3/31104 110.0 5.120 1.642 2.912 0.000 0.262 0.000 3/31104 120.0 4.709 1.485 2.640 0.000 0.241 0.000 3/31104 130.0 4.372 1.357 2.418 0.000 0.223 0.000 3/31104 140.0 4.092 1.250 2.233 0.000 0.207 0.000 3/31104 150.0 3.855 1.160 2.076 0.000 0.192 0.000 3/31104 160.0 3.651 1.083 1.942 0.000 0.179 0.000 3/31104 170.0 3.474 1.016 1.825 0.000 0.168 0.000 3/31104 180.0 3.319 0.957 1.722 0.000 0.158 0.000 3/31104 190.0 3.182 0.906 1.631 0.000 0.148 0.000 3/31104 200.0 3.060 0.860 1.550 0.000 0.140 0.000 3/31104 210.0 2.951 0.819 1.477 0.000 0.133 0.000 3/31104 220.0 2.851 0.782 1.412 0.000 0.126 0.000 3/31104 230.0 2.761 0.749 1.352 0.000 0.120 0.000 3/31104 240.0 2.679 0.719 1.298 0.000 0.114 0.000 3/31104 250.0 2.603 0.692 1.248 0.000 0.109 0.000 3/31104 260.0 2.533 0.667 1.202 0.000 0.104 0.000 3/31104 270.0 2.468 0.644 1.160 0.000 0.100 0.000 3/31104 280.0 2.408 0.623 1.121 0.000 0.096 0.000 3/31104 290.0 2.351 0.603 1.084 0.000 0.092 0.000 3/31104 300.0 2.298 0.585 1.051 0.000 0.089 0.000 3/31104 310.0 2.247 0.568 1.019 0.000 0.086 0.000 3/31104 320.0 2.200 0.553 0.990 0.000 0.083 0.000 3/31104 330.0 2.155 0.538 0.962 0.000 0.080 0.000 3/31104 340.0 2.112 0.525 0.936 0.000 0.078 0.000 3/31104 350.0 2.072 0.512 0.912 0.000 0.075 0.000 3/31104 360.0 2.033 0.500 0.889 0.000 0.073 0.000 3/31104 370.0 1.996 0.489 0.867 0.000 0.071 0.000 3/31104 380.0 1.960 0.478 0.846 0.000 0.069 0.000 3/31104 390.0 1.926 0.468 0.827 0.000 0.068 0.000 3/31104 400.0 1.893 0.458 0.808 0.000 0.066 0.000 3/31104 410.0 1.861 0.449 0.791 0.000 0.064 0.000 3/31104 420.0 1.831 0.441 0.774 0.000 0.063 0.000 3/31104 430.0 1.802 0.432 0.758 0.000 0.061 0.000 3/31104 440.0 1.773 0.424 0.743 0.000 0.060 0.000 3/31104 450.0 1.746 0.417 0.728 0.000 0.059 0.000 3/31104 460.0 1.719 0.410 0.714 0.000 0.058 0.000 3/31104 470.0 1.694 0.403 0.701 0.000 0.056 0.000 3/31104 480.0 1.669 0.396 0.688 0.000 0.055 0.000 3/31104 490.0 1.644 0.390 0.676 0.000 0.054 0.000 3/31104 500.0 1.621 0.384 0.664 0.000 0.053 0.000 3/31104 510.0 1.598 0.378 0.653 0.000 0.052 0.000 3/31104 520.0 1.576 0.372 0.642 0.000 0.051 0.000 3/31104 530.0 1.555 0.367 0.631 0.000 0.051 0.000 3/31104 540.0 1.534 0.362 0.621 0.000 0.050 0.000 3/31104 550.0 1.513 0.357 0.611 0.000 0.049 0.000 3/31104 560.0 1.493 0.352 0.602 0.000 0.048 0.000 3/31104 570.0 1.474 0.347 0.593 0.000 0.047 0.000 3/31104 580.0 1.455 0.342 0.584 0.000 0.047 0.000 3/31104 590.0 1.437 0.338 0.575 0.000 0.046 0.000 3/31104 600.0 1.419 0.333 0.567 0.000 0.045 0.000 3/31104 610.0 1.402 0.329 0.559 0.000 0.045 0.000 3/31104 620.0 1.384 0.325 0.551 0.000 0.044 0.000 3/31104 630.0 1.368 0.321 0.543 0.000 0.043 0.000 3/31104 640.0 1.352 0.317 0.536 0.000 0.043 0.000 3/31104 650.0 1.336 0.313 0.529 0.000 0.042 0.000 3/31104 660.0 1.320 0.310 0.522 0.000 0.042 0.000 3/31104 670.0 1.305 0.306 0.515 0.000 0.041 0.000 3/31104 680.0 1.290 0.303 0.509 0.000 0.041 0.000 3/31104 690.0 1.276 0.299 0.502 0.000 0.040 0.000 3/31104 700.0 1.261 0.296 0.496 0.000 0.040 0.000 3/31104 710.0 1.247 0.293 0.490 0.000 0.039 0.000 3/31104 720.0 1.234 0.290 0.484 0.000 0.039 0.000 3/31104 730.0 1.220 0.286 0.478 0.000 0.038 0.000 3/31104 740.0 1.207 0.283 0.473 0.000 0.038 0.000 3/31104 750.0 1.195 0.280 0.467 0.000 0.037 0.000 3/31104 760.0 1.182 0.278 0.462 0.000 0.037 0.000 3/31104 770.0 1.170 0.275 0.457 0.000 0.036 0.000 3/31104 780.0 1.158 0.272 0.452 0.000 0.036 0.000 3/31104 790.0 1.146 0.269 0.447 0.000 0.036 0.000 3/31104 800.0 1.134 0.267 0.442 0.000 0.035 0.000 3/31104 810.0 1.123 0.264 0.437 0.000 0.035 0.000 3/31104 820.0 1.112 0.261 0.432 0.000 0.034 0.000 3/31104 830.0 1.101 0.259 0.428 0.000 0.034 0.000 3/31104 840.0 1.090 0.256 0.423 0.000 0.034 0.000 3/31104 850.0 1.080 0.254 0.419 0.000 0.033 0.000 3/31104 860.0 1.070 0.252 0.415 0.000 0.033 0.000 3/31104 870.0 1.059 0.249 0.411 0.000 0.033 0.000 3/31104 880.0 1.050 0.247 0.407 0.000 0.032 0.000 3/31104 890.0 1.040 0.245 0.403 0.000 0.032 0.000 3/31104 900.0 1.030 0.243 0.399 0.000 0.032 0.000 3/31104 910.0 1.021 0.240 0.395 0.000 0.032 0.000 3/31104 920.0 1.012 0.238 0.391 0.000 0.031 0.000 3/31104 930.0 1.002 0.236 0.387 0.000 0.031 0.000 3/31104 940.0 0.993 0.234 0.384 0.000 0.031 0.000 3/31104 950.0 0.985 0.232 0.380 0.000 0.030 0.000 3/31104 960.0 0.976 0.230 0.377 0.000 0.030 0.000 3/31104 970.0 0.968 0.228 0.373 0.000 0.030 0.000 3/31104 980.0 0.959 0.226 0.370 0.000 0.030 0.000 3/31104 990.0 0.951 0.225 0.367 0.000 0.029 0.000 3/31104 1000.0 0.943 0.223 0.363 0.000 0.029 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m1238.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:37:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|