----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:45:04]------------------------- 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/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.706387690070635 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -6.599849273617687 0.000000000000000 6.956178151098781 Atomic positions (fractional): *1 Ba 0.89132486357531 0.21608749228600 0.35282018149974 137.327 2 Ba 0.89132486357531 0.28391250771400 0.85282018149974 137.327 3 Ba 0.10867513642470 0.78391250771400 0.64717981850026 137.327 4 Ba 0.10867513642470 0.71608749228600 0.14717981850026 137.327 *5 H 0.47925729991777 0.43995605389113 0.12257832258489 1.008 6 H 0.47925729991777 0.06004394610887 0.62257832258489 1.008 7 H 0.52074270008223 0.56004394610887 0.87742167741511 1.008 8 H 0.52074270008223 0.93995605389113 0.37742167741511 1.008 *9 H 0.42312931652825 0.37476371083413 0.94944374691499 1.008 10 H 0.42312931652825 0.12523628916588 0.44944374691499 1.008 11 H 0.57687068347175 0.62523628916588 0.05055625308501 1.008 12 H 0.57687068347175 0.87476371083412 0.55055625308501 1.008 *13 H 0.48978212800919 0.36449915294792 0.39614247435175 1.008 14 H 0.48978212800919 0.13550084705208 0.89614247435175 1.008 15 H 0.51021787199081 0.63550084705208 0.60385752564825 1.008 16 H 0.51021787199081 0.86449915294792 0.10385752564825 1.008 *17 H 0.76393522742005 0.43722985047482 0.51201029853479 1.008 18 H 0.76393522742005 0.06277014952518 0.01201029853479 1.008 19 H 0.23606477257995 0.56277014952518 0.48798970146521 1.008 20 H 0.23606477257995 0.93722985047482 0.98798970146521 1.008 *21 Cl 0.08281567881482 0.41764801019599 0.21606135776375 35.453 22 Cl 0.08281567881482 0.08235198980401 0.71606135776375 35.453 23 Cl 0.91718432118518 0.58235198980401 0.78393864223625 35.453 24 Cl 0.91718432118518 0.91764801019599 0.28393864223625 35.453 *25 Cl 0.34175561314477 0.40055550923426 0.70319557505472 35.453 26 Cl 0.34175561314477 0.09944449076574 0.20319557505472 35.453 27 Cl 0.65824438685523 0.59944449076574 0.29680442494528 35.453 28 Cl 0.65824438685523 0.90055550923426 0.79680442494528 35.453 *29 O 0.43293007415732 0.35875207472633 0.05693422124268 15.999 30 O 0.43293007415732 0.14124792527367 0.55693422124268 15.999 31 O 0.56706992584268 0.64124792527367 0.94306577875732 15.999 32 O 0.56706992584268 0.85875207472633 0.44306577875732 15.999 *33 O 0.69412917511671 0.35214956925671 0.49147637140975 15.999 34 O 0.69412917511671 0.14785043074329 0.99147637140975 15.999 35 O 0.30587082488329 0.64785043074329 0.50852362859025 15.999 36 O 0.30587082488329 0.85214956925671 0.00852362859025 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.706387690070635 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -6.599849273617687 0.000000000000000 6.956178151098781 Atomic positions (fractional): *1 Ba 0.89132486357531 0.21608749228600 0.35282018149974 137.327 > 1 2 Ba 0.89132486357531 0.28391250771400 0.85282018149974 137.327 > 2 3 Ba 0.10867513642470 0.78391250771400 0.64717981850026 137.327 > 3 4 Ba 0.10867513642470 0.71608749228600 0.14717981850026 137.327 > 4 *5 H 0.47925729991777 0.43995605389113 0.12257832258489 1.008 > 5 6 H 0.47925729991777 0.06004394610887 0.62257832258489 1.008 > 6 7 H 0.52074270008223 0.56004394610887 0.87742167741511 1.008 > 7 8 H 0.52074270008223 0.93995605389113 0.37742167741511 1.008 > 8 *9 H 0.42312931652825 0.37476371083413 0.94944374691499 1.008 > 9 10 H 0.42312931652825 0.12523628916588 0.44944374691499 1.008 > 10 11 H 0.57687068347175 0.62523628916588 0.05055625308501 1.008 > 11 12 H 0.57687068347175 0.87476371083412 0.55055625308501 1.008 > 12 *13 H 0.48978212800919 0.36449915294792 0.39614247435175 1.008 > 13 14 H 0.48978212800919 0.13550084705208 0.89614247435175 1.008 > 14 15 H 0.51021787199081 0.63550084705208 0.60385752564825 1.008 > 15 16 H 0.51021787199081 0.86449915294792 0.10385752564825 1.008 > 16 *17 H 0.76393522742005 0.43722985047482 0.51201029853479 1.008 > 17 18 H 0.76393522742005 0.06277014952518 0.01201029853479 1.008 > 18 19 H 0.23606477257995 0.56277014952518 0.48798970146521 1.008 > 19 20 H 0.23606477257995 0.93722985047482 0.98798970146521 1.008 > 20 *21 Cl 0.08281567881482 0.41764801019599 0.21606135776375 35.453 > 21 22 Cl 0.08281567881482 0.08235198980401 0.71606135776375 35.453 > 22 23 Cl 0.91718432118518 0.58235198980401 0.78393864223625 35.453 > 23 24 Cl 0.91718432118518 0.91764801019599 0.28393864223625 35.453 > 24 *25 Cl 0.34175561314477 0.40055550923426 0.70319557505472 35.453 > 25 26 Cl 0.34175561314477 0.09944449076574 0.20319557505472 35.453 > 26 27 Cl 0.65824438685523 0.59944449076574 0.29680442494528 35.453 > 27 28 Cl 0.65824438685523 0.90055550923426 0.79680442494528 35.453 > 28 *29 O 0.43293007415732 0.35875207472633 0.05693422124268 15.999 > 29 30 O 0.43293007415732 0.14124792527367 0.55693422124268 15.999 > 30 31 O 0.56706992584268 0.64124792527367 0.94306577875732 15.999 > 31 32 O 0.56706992584268 0.85875207472633 0.44306577875732 15.999 > 32 *33 O 0.69412917511671 0.35214956925671 0.49147637140975 15.999 > 33 34 O 0.69412917511671 0.14785043074329 0.99147637140975 15.999 > 34 35 O 0.30587082488329 0.64785043074329 0.50852362859025 15.999 > 35 36 O 0.30587082488329 0.85214956925671 0.00852362859025 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.412775380141269 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -13.199698547235373 0.000000000000000 13.912356302197562 Atomic positions (fractional): *1 Ba 0.44566243178765 0.21608749228600 0.17641009074987 137.327 > 1 2 Ba 0.94566243178765 0.21608749228600 0.17641009074987 137.327 > 1 3 Ba 0.44566243178765 0.21608749228600 0.67641009074987 137.327 > 1 4 Ba 0.94566243178765 0.21608749228600 0.67641009074987 137.327 > 1 5 Ba 0.44566243178765 0.28391250771400 0.42641009074987 137.327 > 2 6 Ba 0.94566243178765 0.28391250771400 0.42641009074987 137.327 > 2 7 Ba 0.44566243178765 0.28391250771400 0.92641009074987 137.327 > 2 8 Ba 0.94566243178765 0.28391250771400 0.92641009074987 137.327 > 2 9 Ba 0.05433756821235 0.78391250771400 0.32358990925013 137.327 > 3 10 Ba 0.55433756821235 0.78391250771400 0.32358990925013 137.327 > 3 11 Ba 0.05433756821235 0.78391250771400 0.82358990925013 137.327 > 3 12 Ba 0.55433756821235 0.78391250771400 0.82358990925013 137.327 > 3 13 Ba 0.05433756821235 0.71608749228600 0.07358990925013 137.327 > 4 14 Ba 0.55433756821235 0.71608749228600 0.07358990925013 137.327 > 4 15 Ba 0.05433756821235 0.71608749228600 0.57358990925013 137.327 > 4 16 Ba 0.55433756821235 0.71608749228600 0.57358990925013 137.327 > 4 *17 H 0.23962864995889 0.43995605389113 0.06128916129244 1.008 > 5 18 H 0.73962864995889 0.43995605389113 0.06128916129244 1.008 > 5 19 H 0.23962864995889 0.43995605389113 0.56128916129244 1.008 > 5 20 H 0.73962864995889 0.43995605389113 0.56128916129244 1.008 > 5 21 H 0.23962864995889 0.06004394610887 0.31128916129244 1.008 > 6 22 H 0.73962864995889 0.06004394610887 0.31128916129244 1.008 > 6 23 H 0.23962864995889 0.06004394610887 0.81128916129244 1.008 > 6 24 H 0.73962864995889 0.06004394610887 0.81128916129244 1.008 > 6 25 H 0.26037135004111 0.56004394610887 0.43871083870756 1.008 > 7 26 H 0.76037135004111 0.56004394610887 0.43871083870756 1.008 > 7 27 H 0.26037135004111 0.56004394610887 0.93871083870756 1.008 > 7 28 H 0.76037135004111 0.56004394610887 0.93871083870756 1.008 > 7 29 H 0.26037135004111 0.93995605389113 0.18871083870756 1.008 > 8 30 H 0.76037135004111 0.93995605389113 0.18871083870756 1.008 > 8 31 H 0.26037135004111 0.93995605389113 0.68871083870756 1.008 > 8 32 H 0.76037135004111 0.93995605389113 0.68871083870756 1.008 > 8 *33 H 0.21156465826412 0.37476371083413 0.47472187345750 1.008 > 9 34 H 0.71156465826412 0.37476371083413 0.47472187345750 1.008 > 9 35 H 0.21156465826412 0.37476371083413 0.97472187345750 1.008 > 9 36 H 0.71156465826412 0.37476371083413 0.97472187345750 1.008 > 9 37 H 0.21156465826412 0.12523628916588 0.22472187345750 1.008 > 10 38 H 0.71156465826412 0.12523628916588 0.22472187345750 1.008 > 10 39 H 0.21156465826412 0.12523628916588 0.72472187345750 1.008 > 10 40 H 0.71156465826412 0.12523628916588 0.72472187345750 1.008 > 10 41 H 0.28843534173588 0.62523628916588 0.02527812654250 1.008 > 11 42 H 0.78843534173588 0.62523628916588 0.02527812654250 1.008 > 11 43 H 0.28843534173588 0.62523628916588 0.52527812654250 1.008 > 11 44 H 0.78843534173588 0.62523628916588 0.52527812654250 1.008 > 11 45 H 0.28843534173588 0.87476371083412 0.27527812654250 1.008 > 12 46 H 0.78843534173588 0.87476371083412 0.27527812654250 1.008 > 12 47 H 0.28843534173588 0.87476371083412 0.77527812654250 1.008 > 12 48 H 0.78843534173588 0.87476371083412 0.77527812654250 1.008 > 12 *49 H 0.24489106400460 0.36449915294792 0.19807123717588 1.008 > 13 50 H 0.74489106400460 0.36449915294792 0.19807123717588 1.008 > 13 51 H 0.24489106400460 0.36449915294792 0.69807123717588 1.008 > 13 52 H 0.74489106400460 0.36449915294792 0.69807123717588 1.008 > 13 53 H 0.24489106400460 0.13550084705208 0.44807123717588 1.008 > 14 54 H 0.74489106400460 0.13550084705208 0.44807123717588 1.008 > 14 55 H 0.24489106400460 0.13550084705208 0.94807123717588 1.008 > 14 56 H 0.74489106400460 0.13550084705208 0.94807123717588 1.008 > 14 57 H 0.25510893599540 0.63550084705208 0.30192876282412 1.008 > 15 58 H 0.75510893599540 0.63550084705208 0.30192876282412 1.008 > 15 59 H 0.25510893599540 0.63550084705208 0.80192876282412 1.008 > 15 60 H 0.75510893599540 0.63550084705208 0.80192876282412 1.008 > 15 61 H 0.25510893599540 0.86449915294792 0.05192876282412 1.008 > 16 62 H 0.75510893599540 0.86449915294792 0.05192876282412 1.008 > 16 63 H 0.25510893599540 0.86449915294792 0.55192876282412 1.008 > 16 64 H 0.75510893599540 0.86449915294792 0.55192876282412 1.008 > 16 *65 H 0.38196761371003 0.43722985047482 0.25600514926740 1.008 > 17 66 H 0.88196761371003 0.43722985047482 0.25600514926740 1.008 > 17 67 H 0.38196761371003 0.43722985047482 0.75600514926740 1.008 > 17 68 H 0.88196761371003 0.43722985047482 0.75600514926740 1.008 > 17 69 H 0.38196761371003 0.06277014952518 0.00600514926740 1.008 > 18 70 H 0.88196761371003 0.06277014952518 0.00600514926740 1.008 > 18 71 H 0.38196761371003 0.06277014952518 0.50600514926740 1.008 > 18 72 H 0.88196761371003 0.06277014952518 0.50600514926740 1.008 > 18 73 H 0.11803238628997 0.56277014952518 0.24399485073260 1.008 > 19 74 H 0.61803238628997 0.56277014952518 0.24399485073260 1.008 > 19 75 H 0.11803238628997 0.56277014952518 0.74399485073260 1.008 > 19 76 H 0.61803238628997 0.56277014952518 0.74399485073260 1.008 > 19 77 H 0.11803238628997 0.93722985047482 0.49399485073260 1.008 > 20 78 H 0.61803238628997 0.93722985047482 0.49399485073260 1.008 > 20 79 H 0.11803238628997 0.93722985047482 0.99399485073260 1.008 > 20 80 H 0.61803238628997 0.93722985047482 0.99399485073260 1.008 > 20 *81 Cl 0.04140783940741 0.41764801019599 0.10803067888187 35.453 > 21 82 Cl 0.54140783940741 0.41764801019599 0.10803067888187 35.453 > 21 83 Cl 0.04140783940741 0.41764801019599 0.60803067888188 35.453 > 21 84 Cl 0.54140783940741 0.41764801019599 0.60803067888188 35.453 > 21 85 Cl 0.04140783940741 0.08235198980401 0.35803067888188 35.453 > 22 86 Cl 0.54140783940741 0.08235198980401 0.35803067888188 35.453 > 22 87 Cl 0.04140783940741 0.08235198980401 0.85803067888188 35.453 > 22 88 Cl 0.54140783940741 0.08235198980401 0.85803067888188 35.453 > 22 89 Cl 0.45859216059259 0.58235198980401 0.39196932111812 35.453 > 23 90 Cl 0.95859216059259 0.58235198980401 0.39196932111812 35.453 > 23 91 Cl 0.45859216059259 0.58235198980401 0.89196932111812 35.453 > 23 92 Cl 0.95859216059259 0.58235198980401 0.89196932111812 35.453 > 23 93 Cl 0.45859216059259 0.91764801019599 0.14196932111812 35.453 > 24 94 Cl 0.95859216059259 0.91764801019599 0.14196932111812 35.453 > 24 95 Cl 0.45859216059259 0.91764801019599 0.64196932111812 35.453 > 24 96 Cl 0.95859216059259 0.91764801019599 0.64196932111812 35.453 > 24 *97 Cl 0.17087780657238 0.40055550923426 0.35159778752736 35.453 > 25 98 Cl 0.67087780657238 0.40055550923426 0.35159778752736 35.453 > 25 99 Cl 0.17087780657238 0.40055550923426 0.85159778752736 35.453 > 25 100 Cl 0.67087780657238 0.40055550923426 0.85159778752736 35.453 > 25 101 Cl 0.17087780657238 0.09944449076574 0.10159778752736 35.453 > 26 102 Cl 0.67087780657238 0.09944449076574 0.10159778752736 35.453 > 26 103 Cl 0.17087780657238 0.09944449076574 0.60159778752736 35.453 > 26 104 Cl 0.67087780657238 0.09944449076574 0.60159778752736 35.453 > 26 105 Cl 0.32912219342762 0.59944449076574 0.14840221247264 35.453 > 27 106 Cl 0.82912219342762 0.59944449076574 0.14840221247264 35.453 > 27 107 Cl 0.32912219342762 0.59944449076574 0.64840221247264 35.453 > 27 108 Cl 0.82912219342762 0.59944449076574 0.64840221247264 35.453 > 27 109 Cl 0.32912219342762 0.90055550923426 0.39840221247264 35.453 > 28 110 Cl 0.82912219342762 0.90055550923426 0.39840221247264 35.453 > 28 111 Cl 0.32912219342762 0.90055550923426 0.89840221247264 35.453 > 28 112 Cl 0.82912219342762 0.90055550923426 0.89840221247264 35.453 > 28 *113 O 0.21646503707866 0.35875207472633 0.02846711062134 15.999 > 29 114 O 0.71646503707866 0.35875207472633 0.02846711062134 15.999 > 29 115 O 0.21646503707866 0.35875207472633 0.52846711062134 15.999 > 29 116 O 0.71646503707866 0.35875207472633 0.52846711062134 15.999 > 29 117 O 0.21646503707866 0.14124792527367 0.27846711062134 15.999 > 30 118 O 0.71646503707866 0.14124792527367 0.27846711062134 15.999 > 30 119 O 0.21646503707866 0.14124792527367 0.77846711062134 15.999 > 30 120 O 0.71646503707866 0.14124792527367 0.77846711062134 15.999 > 30 121 O 0.28353496292134 0.64124792527367 0.47153288937866 15.999 > 31 122 O 0.78353496292134 0.64124792527367 0.47153288937866 15.999 > 31 123 O 0.28353496292134 0.64124792527367 0.97153288937866 15.999 > 31 124 O 0.78353496292134 0.64124792527367 0.97153288937866 15.999 > 31 125 O 0.28353496292134 0.85875207472633 0.22153288937866 15.999 > 32 126 O 0.78353496292134 0.85875207472633 0.22153288937866 15.999 > 32 127 O 0.28353496292134 0.85875207472633 0.72153288937866 15.999 > 32 128 O 0.78353496292134 0.85875207472633 0.72153288937866 15.999 > 32 *129 O 0.34706458755836 0.35214956925671 0.24573818570487 15.999 > 33 130 O 0.84706458755836 0.35214956925671 0.24573818570487 15.999 > 33 131 O 0.34706458755836 0.35214956925671 0.74573818570487 15.999 > 33 132 O 0.84706458755836 0.35214956925671 0.74573818570487 15.999 > 33 133 O 0.34706458755836 0.14785043074329 0.49573818570487 15.999 > 34 134 O 0.84706458755836 0.14785043074329 0.49573818570487 15.999 > 34 135 O 0.34706458755836 0.14785043074329 0.99573818570487 15.999 > 34 136 O 0.84706458755836 0.14785043074329 0.99573818570487 15.999 > 34 137 O 0.15293541244164 0.64785043074329 0.25426181429513 15.999 > 35 138 O 0.65293541244164 0.64785043074329 0.25426181429513 15.999 > 35 139 O 0.15293541244164 0.64785043074329 0.75426181429513 15.999 > 35 140 O 0.65293541244164 0.64785043074329 0.75426181429513 15.999 > 35 141 O 0.15293541244164 0.85214956925671 0.00426181429513 15.999 > 36 142 O 0.65293541244164 0.85214956925671 0.00426181429513 15.999 > 36 143 O 0.15293541244164 0.85214956925671 0.50426181429513 15.999 > 36 144 O 0.65293541244164 0.85214956925671 0.50426181429513 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9241118 0.0000000 -0.0269488 0.0000000 2.9550192 0.0000000 -0.0269488 0.0000000 3.0474584 -------------------------- Born effective charges -------------------------- 1 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 2 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 3 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 4 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 5 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 6 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 7 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 8 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 9 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 10 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 11 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 12 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 13 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 14 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 15 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 16 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 17 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 18 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 19 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 20 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 21 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 22 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 23 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 24 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 25 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 26 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 27 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 28 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 29 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 30 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 31 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 32 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 33 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 34 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 35 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 36 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.817 Solver_block: 200 / 1120 - Time: 1.612 Solver_block: 300 / 1120 - Time: 1.614 Solver_block: 400 / 1120 - Time: 1.622 Solver_block: 500 / 1120 - Time: 1.618 Solver_block: 600 / 1120 - Time: 1.618 Solver_block: 700 / 1120 - Time: 1.616 Solver_block: 800 / 1120 - Time: 1.612 Solver_block: 900 / 1120 - Time: 1.614 Solver_block: 1000 / 1120 - Time: 1.616 Solver_block: 1100 / 1120 - Time: 1.617 Solver_block: 1120 / 1120 - Time: 0.486 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.969 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:46:24]------------------------- 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.706387690070635 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -6.599849273617687 0.000000000000000 6.956178151098781 Atomic positions (fractional): 1 Ba 0.89132486357531 0.21608749228600 0.35282018149974 137.327 2 Ba 0.89132486357531 0.28391250771400 0.85282018149974 137.327 3 Ba 0.10867513642470 0.78391250771400 0.64717981850026 137.327 4 Ba 0.10867513642470 0.71608749228600 0.14717981850026 137.327 5 H 0.47925729991777 0.43995605389113 0.12257832258489 1.008 6 H 0.47925729991777 0.06004394610887 0.62257832258489 1.008 7 H 0.52074270008223 0.56004394610887 0.87742167741511 1.008 8 H 0.52074270008223 0.93995605389113 0.37742167741511 1.008 9 H 0.42312931652825 0.37476371083413 0.94944374691499 1.008 10 H 0.42312931652825 0.12523628916588 0.44944374691499 1.008 11 H 0.57687068347175 0.62523628916588 0.05055625308501 1.008 12 H 0.57687068347175 0.87476371083412 0.55055625308501 1.008 13 H 0.48978212800919 0.36449915294792 0.39614247435175 1.008 14 H 0.48978212800919 0.13550084705208 0.89614247435175 1.008 15 H 0.51021787199081 0.63550084705208 0.60385752564825 1.008 16 H 0.51021787199081 0.86449915294792 0.10385752564825 1.008 17 H 0.76393522742005 0.43722985047482 0.51201029853479 1.008 18 H 0.76393522742005 0.06277014952518 0.01201029853479 1.008 19 H 0.23606477257995 0.56277014952518 0.48798970146521 1.008 20 H 0.23606477257995 0.93722985047482 0.98798970146521 1.008 21 Cl 0.08281567881482 0.41764801019599 0.21606135776375 35.453 22 Cl 0.08281567881482 0.08235198980401 0.71606135776375 35.453 23 Cl 0.91718432118518 0.58235198980401 0.78393864223625 35.453 24 Cl 0.91718432118518 0.91764801019599 0.28393864223625 35.453 25 Cl 0.34175561314477 0.40055550923426 0.70319557505472 35.453 26 Cl 0.34175561314477 0.09944449076574 0.20319557505472 35.453 27 Cl 0.65824438685523 0.59944449076574 0.29680442494528 35.453 28 Cl 0.65824438685523 0.90055550923426 0.79680442494528 35.453 29 O 0.43293007415732 0.35875207472633 0.05693422124268 15.999 30 O 0.43293007415732 0.14124792527367 0.55693422124268 15.999 31 O 0.56706992584268 0.64124792527367 0.94306577875732 15.999 32 O 0.56706992584268 0.85875207472633 0.44306577875732 15.999 33 O 0.69412917511671 0.35214956925671 0.49147637140975 15.999 34 O 0.69412917511671 0.14785043074329 0.99147637140975 15.999 35 O 0.30587082488329 0.64785043074329 0.50852362859025 15.999 36 O 0.30587082488329 0.85214956925671 0.00852362859025 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.412775380141269 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -13.199698547235373 0.000000000000000 13.912356302197562 Atomic positions (fractional): 1 Ba 0.44566243178765 0.21608749228600 0.17641009074987 137.327 > 1 2 Ba 0.94566243178765 0.21608749228600 0.17641009074987 137.327 > 1 3 Ba 0.44566243178765 0.21608749228600 0.67641009074987 137.327 > 1 4 Ba 0.94566243178765 0.21608749228600 0.67641009074987 137.327 > 1 5 Ba 0.44566243178765 0.28391250771400 0.42641009074987 137.327 > 5 6 Ba 0.94566243178765 0.28391250771400 0.42641009074987 137.327 > 5 7 Ba 0.44566243178765 0.28391250771400 0.92641009074987 137.327 > 5 8 Ba 0.94566243178765 0.28391250771400 0.92641009074987 137.327 > 5 9 Ba 0.05433756821235 0.78391250771400 0.32358990925013 137.327 > 9 10 Ba 0.55433756821235 0.78391250771400 0.32358990925013 137.327 > 9 11 Ba 0.05433756821235 0.78391250771400 0.82358990925013 137.327 > 9 12 Ba 0.55433756821235 0.78391250771400 0.82358990925013 137.327 > 9 13 Ba 0.05433756821235 0.71608749228600 0.07358990925013 137.327 > 13 14 Ba 0.55433756821235 0.71608749228600 0.07358990925013 137.327 > 13 15 Ba 0.05433756821235 0.71608749228600 0.57358990925013 137.327 > 13 16 Ba 0.55433756821235 0.71608749228600 0.57358990925013 137.327 > 13 17 H 0.23962864995889 0.43995605389113 0.06128916129244 1.008 > 17 18 H 0.73962864995889 0.43995605389113 0.06128916129244 1.008 > 17 19 H 0.23962864995889 0.43995605389113 0.56128916129244 1.008 > 17 20 H 0.73962864995889 0.43995605389113 0.56128916129244 1.008 > 17 21 H 0.23962864995889 0.06004394610887 0.31128916129244 1.008 > 21 22 H 0.73962864995889 0.06004394610887 0.31128916129244 1.008 > 21 23 H 0.23962864995889 0.06004394610887 0.81128916129244 1.008 > 21 24 H 0.73962864995889 0.06004394610887 0.81128916129244 1.008 > 21 25 H 0.26037135004111 0.56004394610887 0.43871083870756 1.008 > 25 26 H 0.76037135004111 0.56004394610887 0.43871083870756 1.008 > 25 27 H 0.26037135004111 0.56004394610887 0.93871083870756 1.008 > 25 28 H 0.76037135004111 0.56004394610887 0.93871083870756 1.008 > 25 29 H 0.26037135004111 0.93995605389113 0.18871083870756 1.008 > 29 30 H 0.76037135004111 0.93995605389113 0.18871083870756 1.008 > 29 31 H 0.26037135004111 0.93995605389113 0.68871083870756 1.008 > 29 32 H 0.76037135004111 0.93995605389113 0.68871083870756 1.008 > 29 33 H 0.21156465826412 0.37476371083413 0.47472187345750 1.008 > 33 34 H 0.71156465826412 0.37476371083413 0.47472187345750 1.008 > 33 35 H 0.21156465826412 0.37476371083413 0.97472187345750 1.008 > 33 36 H 0.71156465826412 0.37476371083413 0.97472187345750 1.008 > 33 37 H 0.21156465826412 0.12523628916588 0.22472187345750 1.008 > 37 38 H 0.71156465826412 0.12523628916588 0.22472187345750 1.008 > 37 39 H 0.21156465826412 0.12523628916588 0.72472187345750 1.008 > 37 40 H 0.71156465826412 0.12523628916588 0.72472187345750 1.008 > 37 41 H 0.28843534173588 0.62523628916588 0.02527812654250 1.008 > 41 42 H 0.78843534173588 0.62523628916588 0.02527812654250 1.008 > 41 43 H 0.28843534173588 0.62523628916588 0.52527812654250 1.008 > 41 44 H 0.78843534173588 0.62523628916588 0.52527812654250 1.008 > 41 45 H 0.28843534173588 0.87476371083412 0.27527812654250 1.008 > 45 46 H 0.78843534173588 0.87476371083412 0.27527812654250 1.008 > 45 47 H 0.28843534173588 0.87476371083412 0.77527812654250 1.008 > 45 48 H 0.78843534173588 0.87476371083412 0.77527812654250 1.008 > 45 49 H 0.24489106400460 0.36449915294792 0.19807123717588 1.008 > 49 50 H 0.74489106400460 0.36449915294792 0.19807123717588 1.008 > 49 51 H 0.24489106400460 0.36449915294792 0.69807123717588 1.008 > 49 52 H 0.74489106400460 0.36449915294792 0.69807123717588 1.008 > 49 53 H 0.24489106400460 0.13550084705208 0.44807123717588 1.008 > 53 54 H 0.74489106400460 0.13550084705208 0.44807123717588 1.008 > 53 55 H 0.24489106400460 0.13550084705208 0.94807123717588 1.008 > 53 56 H 0.74489106400460 0.13550084705208 0.94807123717588 1.008 > 53 57 H 0.25510893599540 0.63550084705208 0.30192876282412 1.008 > 57 58 H 0.75510893599540 0.63550084705208 0.30192876282412 1.008 > 57 59 H 0.25510893599540 0.63550084705208 0.80192876282412 1.008 > 57 60 H 0.75510893599540 0.63550084705208 0.80192876282412 1.008 > 57 61 H 0.25510893599540 0.86449915294792 0.05192876282412 1.008 > 61 62 H 0.75510893599540 0.86449915294792 0.05192876282412 1.008 > 61 63 H 0.25510893599540 0.86449915294792 0.55192876282412 1.008 > 61 64 H 0.75510893599540 0.86449915294792 0.55192876282412 1.008 > 61 65 H 0.38196761371003 0.43722985047482 0.25600514926740 1.008 > 65 66 H 0.88196761371003 0.43722985047482 0.25600514926740 1.008 > 65 67 H 0.38196761371003 0.43722985047482 0.75600514926740 1.008 > 65 68 H 0.88196761371003 0.43722985047482 0.75600514926740 1.008 > 65 69 H 0.38196761371003 0.06277014952518 0.00600514926740 1.008 > 69 70 H 0.88196761371003 0.06277014952518 0.00600514926740 1.008 > 69 71 H 0.38196761371003 0.06277014952518 0.50600514926740 1.008 > 69 72 H 0.88196761371003 0.06277014952518 0.50600514926740 1.008 > 69 73 H 0.11803238628997 0.56277014952518 0.24399485073260 1.008 > 73 74 H 0.61803238628997 0.56277014952518 0.24399485073260 1.008 > 73 75 H 0.11803238628997 0.56277014952518 0.74399485073260 1.008 > 73 76 H 0.61803238628997 0.56277014952518 0.74399485073260 1.008 > 73 77 H 0.11803238628997 0.93722985047482 0.49399485073260 1.008 > 77 78 H 0.61803238628997 0.93722985047482 0.49399485073260 1.008 > 77 79 H 0.11803238628997 0.93722985047482 0.99399485073260 1.008 > 77 80 H 0.61803238628997 0.93722985047482 0.99399485073260 1.008 > 77 81 Cl 0.04140783940741 0.41764801019599 0.10803067888187 35.453 > 81 82 Cl 0.54140783940741 0.41764801019599 0.10803067888187 35.453 > 81 83 Cl 0.04140783940741 0.41764801019599 0.60803067888188 35.453 > 81 84 Cl 0.54140783940741 0.41764801019599 0.60803067888188 35.453 > 81 85 Cl 0.04140783940741 0.08235198980401 0.35803067888188 35.453 > 85 86 Cl 0.54140783940741 0.08235198980401 0.35803067888188 35.453 > 85 87 Cl 0.04140783940741 0.08235198980401 0.85803067888188 35.453 > 85 88 Cl 0.54140783940741 0.08235198980401 0.85803067888188 35.453 > 85 89 Cl 0.45859216059259 0.58235198980401 0.39196932111812 35.453 > 89 90 Cl 0.95859216059259 0.58235198980401 0.39196932111812 35.453 > 89 91 Cl 0.45859216059259 0.58235198980401 0.89196932111812 35.453 > 89 92 Cl 0.95859216059259 0.58235198980401 0.89196932111812 35.453 > 89 93 Cl 0.45859216059259 0.91764801019599 0.14196932111812 35.453 > 93 94 Cl 0.95859216059259 0.91764801019599 0.14196932111812 35.453 > 93 95 Cl 0.45859216059259 0.91764801019599 0.64196932111812 35.453 > 93 96 Cl 0.95859216059259 0.91764801019599 0.64196932111812 35.453 > 93 97 Cl 0.17087780657238 0.40055550923426 0.35159778752736 35.453 > 97 98 Cl 0.67087780657238 0.40055550923426 0.35159778752736 35.453 > 97 99 Cl 0.17087780657238 0.40055550923426 0.85159778752736 35.453 > 97 100 Cl 0.67087780657238 0.40055550923426 0.85159778752736 35.453 > 97 101 Cl 0.17087780657238 0.09944449076574 0.10159778752736 35.453 > 101 102 Cl 0.67087780657238 0.09944449076574 0.10159778752736 35.453 > 101 103 Cl 0.17087780657238 0.09944449076574 0.60159778752736 35.453 > 101 104 Cl 0.67087780657238 0.09944449076574 0.60159778752736 35.453 > 101 105 Cl 0.32912219342762 0.59944449076574 0.14840221247264 35.453 > 105 106 Cl 0.82912219342762 0.59944449076574 0.14840221247264 35.453 > 105 107 Cl 0.32912219342762 0.59944449076574 0.64840221247264 35.453 > 105 108 Cl 0.82912219342762 0.59944449076574 0.64840221247264 35.453 > 105 109 Cl 0.32912219342762 0.90055550923426 0.39840221247264 35.453 > 109 110 Cl 0.82912219342762 0.90055550923426 0.39840221247264 35.453 > 109 111 Cl 0.32912219342762 0.90055550923426 0.89840221247264 35.453 > 109 112 Cl 0.82912219342762 0.90055550923426 0.89840221247264 35.453 > 109 113 O 0.21646503707866 0.35875207472633 0.02846711062134 15.999 > 113 114 O 0.71646503707866 0.35875207472633 0.02846711062134 15.999 > 113 115 O 0.21646503707866 0.35875207472633 0.52846711062134 15.999 > 113 116 O 0.71646503707866 0.35875207472633 0.52846711062134 15.999 > 113 117 O 0.21646503707866 0.14124792527367 0.27846711062134 15.999 > 117 118 O 0.71646503707866 0.14124792527367 0.27846711062134 15.999 > 117 119 O 0.21646503707866 0.14124792527367 0.77846711062134 15.999 > 117 120 O 0.71646503707866 0.14124792527367 0.77846711062134 15.999 > 117 121 O 0.28353496292134 0.64124792527367 0.47153288937866 15.999 > 121 122 O 0.78353496292134 0.64124792527367 0.47153288937866 15.999 > 121 123 O 0.28353496292134 0.64124792527367 0.97153288937866 15.999 > 121 124 O 0.78353496292134 0.64124792527367 0.97153288937866 15.999 > 121 125 O 0.28353496292134 0.85875207472633 0.22153288937866 15.999 > 125 126 O 0.78353496292134 0.85875207472633 0.22153288937866 15.999 > 125 127 O 0.28353496292134 0.85875207472633 0.72153288937866 15.999 > 125 128 O 0.78353496292134 0.85875207472633 0.72153288937866 15.999 > 125 129 O 0.34706458755836 0.35214956925671 0.24573818570487 15.999 > 129 130 O 0.84706458755836 0.35214956925671 0.24573818570487 15.999 > 129 131 O 0.34706458755836 0.35214956925671 0.74573818570487 15.999 > 129 132 O 0.84706458755836 0.35214956925671 0.74573818570487 15.999 > 129 133 O 0.34706458755836 0.14785043074329 0.49573818570487 15.999 > 133 134 O 0.84706458755836 0.14785043074329 0.49573818570487 15.999 > 133 135 O 0.34706458755836 0.14785043074329 0.99573818570487 15.999 > 133 136 O 0.84706458755836 0.14785043074329 0.99573818570487 15.999 > 133 137 O 0.15293541244164 0.64785043074329 0.25426181429513 15.999 > 137 138 O 0.65293541244164 0.64785043074329 0.25426181429513 15.999 > 137 139 O 0.15293541244164 0.64785043074329 0.75426181429513 15.999 > 137 140 O 0.65293541244164 0.64785043074329 0.75426181429513 15.999 > 137 141 O 0.15293541244164 0.85214956925671 0.00426181429513 15.999 > 141 142 O 0.65293541244164 0.85214956925671 0.00426181429513 15.999 > 141 143 O 0.15293541244164 0.85214956925671 0.50426181429513 15.999 > 141 144 O 0.65293541244164 0.85214956925671 0.50426181429513 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9241118 0.0000000 -0.0269488 0.0000000 2.9550192 0.0000000 -0.0269488 0.0000000 3.0474584 -------------------------- Born effective charges -------------------------- 1 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 2 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 3 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 4 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 5 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 6 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 7 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 8 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 9 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 10 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 11 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 12 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 13 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 14 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 15 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 16 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 17 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 18 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 19 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 20 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 21 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 22 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 23 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 24 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 25 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 26 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 27 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 28 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 29 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 30 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 31 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 32 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 33 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 34 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 35 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 36 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 ---------------------------------------------------------------------------- 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:47:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:47:26]------------------------- 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.706387690070635 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -6.599849273617687 0.000000000000000 6.956178151098781 Atomic positions (fractional): 1 Ba 0.89132486357531 0.21608749228600 0.35282018149974 137.327 2 Ba 0.89132486357531 0.28391250771400 0.85282018149974 137.327 3 Ba 0.10867513642470 0.78391250771400 0.64717981850026 137.327 4 Ba 0.10867513642470 0.71608749228600 0.14717981850026 137.327 5 H 0.47925729991777 0.43995605389113 0.12257832258489 1.008 6 H 0.47925729991777 0.06004394610887 0.62257832258489 1.008 7 H 0.52074270008223 0.56004394610887 0.87742167741511 1.008 8 H 0.52074270008223 0.93995605389113 0.37742167741511 1.008 9 H 0.42312931652825 0.37476371083413 0.94944374691499 1.008 10 H 0.42312931652825 0.12523628916588 0.44944374691499 1.008 11 H 0.57687068347175 0.62523628916588 0.05055625308501 1.008 12 H 0.57687068347175 0.87476371083412 0.55055625308501 1.008 13 H 0.48978212800919 0.36449915294792 0.39614247435175 1.008 14 H 0.48978212800919 0.13550084705208 0.89614247435175 1.008 15 H 0.51021787199081 0.63550084705208 0.60385752564825 1.008 16 H 0.51021787199081 0.86449915294792 0.10385752564825 1.008 17 H 0.76393522742005 0.43722985047482 0.51201029853479 1.008 18 H 0.76393522742005 0.06277014952518 0.01201029853479 1.008 19 H 0.23606477257995 0.56277014952518 0.48798970146521 1.008 20 H 0.23606477257995 0.93722985047482 0.98798970146521 1.008 21 Cl 0.08281567881482 0.41764801019599 0.21606135776375 35.453 22 Cl 0.08281567881482 0.08235198980401 0.71606135776375 35.453 23 Cl 0.91718432118518 0.58235198980401 0.78393864223625 35.453 24 Cl 0.91718432118518 0.91764801019599 0.28393864223625 35.453 25 Cl 0.34175561314477 0.40055550923426 0.70319557505472 35.453 26 Cl 0.34175561314477 0.09944449076574 0.20319557505472 35.453 27 Cl 0.65824438685523 0.59944449076574 0.29680442494528 35.453 28 Cl 0.65824438685523 0.90055550923426 0.79680442494528 35.453 29 O 0.43293007415732 0.35875207472633 0.05693422124268 15.999 30 O 0.43293007415732 0.14124792527367 0.55693422124268 15.999 31 O 0.56706992584268 0.64124792527367 0.94306577875732 15.999 32 O 0.56706992584268 0.85875207472633 0.44306577875732 15.999 33 O 0.69412917511671 0.35214956925671 0.49147637140975 15.999 34 O 0.69412917511671 0.14785043074329 0.99147637140975 15.999 35 O 0.30587082488329 0.64785043074329 0.50852362859025 15.999 36 O 0.30587082488329 0.85214956925671 0.00852362859025 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.412775380141269 0.000000000000000 0.000000000000000 b 0.000000000000000 10.821740070000001 0.000000000000000 c -13.199698547235373 0.000000000000000 13.912356302197562 Atomic positions (fractional): 1 Ba 0.44566243178765 0.21608749228600 0.17641009074987 137.327 > 1 2 Ba 0.94566243178765 0.21608749228600 0.17641009074987 137.327 > 1 3 Ba 0.44566243178765 0.21608749228600 0.67641009074987 137.327 > 1 4 Ba 0.94566243178765 0.21608749228600 0.67641009074987 137.327 > 1 5 Ba 0.44566243178765 0.28391250771400 0.42641009074987 137.327 > 5 6 Ba 0.94566243178765 0.28391250771400 0.42641009074987 137.327 > 5 7 Ba 0.44566243178765 0.28391250771400 0.92641009074987 137.327 > 5 8 Ba 0.94566243178765 0.28391250771400 0.92641009074987 137.327 > 5 9 Ba 0.05433756821235 0.78391250771400 0.32358990925013 137.327 > 9 10 Ba 0.55433756821235 0.78391250771400 0.32358990925013 137.327 > 9 11 Ba 0.05433756821235 0.78391250771400 0.82358990925013 137.327 > 9 12 Ba 0.55433756821235 0.78391250771400 0.82358990925013 137.327 > 9 13 Ba 0.05433756821235 0.71608749228600 0.07358990925013 137.327 > 13 14 Ba 0.55433756821235 0.71608749228600 0.07358990925013 137.327 > 13 15 Ba 0.05433756821235 0.71608749228600 0.57358990925013 137.327 > 13 16 Ba 0.55433756821235 0.71608749228600 0.57358990925013 137.327 > 13 17 H 0.23962864995889 0.43995605389113 0.06128916129244 1.008 > 17 18 H 0.73962864995889 0.43995605389113 0.06128916129244 1.008 > 17 19 H 0.23962864995889 0.43995605389113 0.56128916129244 1.008 > 17 20 H 0.73962864995889 0.43995605389113 0.56128916129244 1.008 > 17 21 H 0.23962864995889 0.06004394610887 0.31128916129244 1.008 > 21 22 H 0.73962864995889 0.06004394610887 0.31128916129244 1.008 > 21 23 H 0.23962864995889 0.06004394610887 0.81128916129244 1.008 > 21 24 H 0.73962864995889 0.06004394610887 0.81128916129244 1.008 > 21 25 H 0.26037135004111 0.56004394610887 0.43871083870756 1.008 > 25 26 H 0.76037135004111 0.56004394610887 0.43871083870756 1.008 > 25 27 H 0.26037135004111 0.56004394610887 0.93871083870756 1.008 > 25 28 H 0.76037135004111 0.56004394610887 0.93871083870756 1.008 > 25 29 H 0.26037135004111 0.93995605389113 0.18871083870756 1.008 > 29 30 H 0.76037135004111 0.93995605389113 0.18871083870756 1.008 > 29 31 H 0.26037135004111 0.93995605389113 0.68871083870756 1.008 > 29 32 H 0.76037135004111 0.93995605389113 0.68871083870756 1.008 > 29 33 H 0.21156465826412 0.37476371083413 0.47472187345750 1.008 > 33 34 H 0.71156465826412 0.37476371083413 0.47472187345750 1.008 > 33 35 H 0.21156465826412 0.37476371083413 0.97472187345750 1.008 > 33 36 H 0.71156465826412 0.37476371083413 0.97472187345750 1.008 > 33 37 H 0.21156465826412 0.12523628916588 0.22472187345750 1.008 > 37 38 H 0.71156465826412 0.12523628916588 0.22472187345750 1.008 > 37 39 H 0.21156465826412 0.12523628916588 0.72472187345750 1.008 > 37 40 H 0.71156465826412 0.12523628916588 0.72472187345750 1.008 > 37 41 H 0.28843534173588 0.62523628916588 0.02527812654250 1.008 > 41 42 H 0.78843534173588 0.62523628916588 0.02527812654250 1.008 > 41 43 H 0.28843534173588 0.62523628916588 0.52527812654250 1.008 > 41 44 H 0.78843534173588 0.62523628916588 0.52527812654250 1.008 > 41 45 H 0.28843534173588 0.87476371083412 0.27527812654250 1.008 > 45 46 H 0.78843534173588 0.87476371083412 0.27527812654250 1.008 > 45 47 H 0.28843534173588 0.87476371083412 0.77527812654250 1.008 > 45 48 H 0.78843534173588 0.87476371083412 0.77527812654250 1.008 > 45 49 H 0.24489106400460 0.36449915294792 0.19807123717588 1.008 > 49 50 H 0.74489106400460 0.36449915294792 0.19807123717588 1.008 > 49 51 H 0.24489106400460 0.36449915294792 0.69807123717588 1.008 > 49 52 H 0.74489106400460 0.36449915294792 0.69807123717588 1.008 > 49 53 H 0.24489106400460 0.13550084705208 0.44807123717588 1.008 > 53 54 H 0.74489106400460 0.13550084705208 0.44807123717588 1.008 > 53 55 H 0.24489106400460 0.13550084705208 0.94807123717588 1.008 > 53 56 H 0.74489106400460 0.13550084705208 0.94807123717588 1.008 > 53 57 H 0.25510893599540 0.63550084705208 0.30192876282412 1.008 > 57 58 H 0.75510893599540 0.63550084705208 0.30192876282412 1.008 > 57 59 H 0.25510893599540 0.63550084705208 0.80192876282412 1.008 > 57 60 H 0.75510893599540 0.63550084705208 0.80192876282412 1.008 > 57 61 H 0.25510893599540 0.86449915294792 0.05192876282412 1.008 > 61 62 H 0.75510893599540 0.86449915294792 0.05192876282412 1.008 > 61 63 H 0.25510893599540 0.86449915294792 0.55192876282412 1.008 > 61 64 H 0.75510893599540 0.86449915294792 0.55192876282412 1.008 > 61 65 H 0.38196761371003 0.43722985047482 0.25600514926740 1.008 > 65 66 H 0.88196761371003 0.43722985047482 0.25600514926740 1.008 > 65 67 H 0.38196761371003 0.43722985047482 0.75600514926740 1.008 > 65 68 H 0.88196761371003 0.43722985047482 0.75600514926740 1.008 > 65 69 H 0.38196761371003 0.06277014952518 0.00600514926740 1.008 > 69 70 H 0.88196761371003 0.06277014952518 0.00600514926740 1.008 > 69 71 H 0.38196761371003 0.06277014952518 0.50600514926740 1.008 > 69 72 H 0.88196761371003 0.06277014952518 0.50600514926740 1.008 > 69 73 H 0.11803238628997 0.56277014952518 0.24399485073260 1.008 > 73 74 H 0.61803238628997 0.56277014952518 0.24399485073260 1.008 > 73 75 H 0.11803238628997 0.56277014952518 0.74399485073260 1.008 > 73 76 H 0.61803238628997 0.56277014952518 0.74399485073260 1.008 > 73 77 H 0.11803238628997 0.93722985047482 0.49399485073260 1.008 > 77 78 H 0.61803238628997 0.93722985047482 0.49399485073260 1.008 > 77 79 H 0.11803238628997 0.93722985047482 0.99399485073260 1.008 > 77 80 H 0.61803238628997 0.93722985047482 0.99399485073260 1.008 > 77 81 Cl 0.04140783940741 0.41764801019599 0.10803067888187 35.453 > 81 82 Cl 0.54140783940741 0.41764801019599 0.10803067888187 35.453 > 81 83 Cl 0.04140783940741 0.41764801019599 0.60803067888188 35.453 > 81 84 Cl 0.54140783940741 0.41764801019599 0.60803067888188 35.453 > 81 85 Cl 0.04140783940741 0.08235198980401 0.35803067888188 35.453 > 85 86 Cl 0.54140783940741 0.08235198980401 0.35803067888188 35.453 > 85 87 Cl 0.04140783940741 0.08235198980401 0.85803067888188 35.453 > 85 88 Cl 0.54140783940741 0.08235198980401 0.85803067888188 35.453 > 85 89 Cl 0.45859216059259 0.58235198980401 0.39196932111812 35.453 > 89 90 Cl 0.95859216059259 0.58235198980401 0.39196932111812 35.453 > 89 91 Cl 0.45859216059259 0.58235198980401 0.89196932111812 35.453 > 89 92 Cl 0.95859216059259 0.58235198980401 0.89196932111812 35.453 > 89 93 Cl 0.45859216059259 0.91764801019599 0.14196932111812 35.453 > 93 94 Cl 0.95859216059259 0.91764801019599 0.14196932111812 35.453 > 93 95 Cl 0.45859216059259 0.91764801019599 0.64196932111812 35.453 > 93 96 Cl 0.95859216059259 0.91764801019599 0.64196932111812 35.453 > 93 97 Cl 0.17087780657238 0.40055550923426 0.35159778752736 35.453 > 97 98 Cl 0.67087780657238 0.40055550923426 0.35159778752736 35.453 > 97 99 Cl 0.17087780657238 0.40055550923426 0.85159778752736 35.453 > 97 100 Cl 0.67087780657238 0.40055550923426 0.85159778752736 35.453 > 97 101 Cl 0.17087780657238 0.09944449076574 0.10159778752736 35.453 > 101 102 Cl 0.67087780657238 0.09944449076574 0.10159778752736 35.453 > 101 103 Cl 0.17087780657238 0.09944449076574 0.60159778752736 35.453 > 101 104 Cl 0.67087780657238 0.09944449076574 0.60159778752736 35.453 > 101 105 Cl 0.32912219342762 0.59944449076574 0.14840221247264 35.453 > 105 106 Cl 0.82912219342762 0.59944449076574 0.14840221247264 35.453 > 105 107 Cl 0.32912219342762 0.59944449076574 0.64840221247264 35.453 > 105 108 Cl 0.82912219342762 0.59944449076574 0.64840221247264 35.453 > 105 109 Cl 0.32912219342762 0.90055550923426 0.39840221247264 35.453 > 109 110 Cl 0.82912219342762 0.90055550923426 0.39840221247264 35.453 > 109 111 Cl 0.32912219342762 0.90055550923426 0.89840221247264 35.453 > 109 112 Cl 0.82912219342762 0.90055550923426 0.89840221247264 35.453 > 109 113 O 0.21646503707866 0.35875207472633 0.02846711062134 15.999 > 113 114 O 0.71646503707866 0.35875207472633 0.02846711062134 15.999 > 113 115 O 0.21646503707866 0.35875207472633 0.52846711062134 15.999 > 113 116 O 0.71646503707866 0.35875207472633 0.52846711062134 15.999 > 113 117 O 0.21646503707866 0.14124792527367 0.27846711062134 15.999 > 117 118 O 0.71646503707866 0.14124792527367 0.27846711062134 15.999 > 117 119 O 0.21646503707866 0.14124792527367 0.77846711062134 15.999 > 117 120 O 0.71646503707866 0.14124792527367 0.77846711062134 15.999 > 117 121 O 0.28353496292134 0.64124792527367 0.47153288937866 15.999 > 121 122 O 0.78353496292134 0.64124792527367 0.47153288937866 15.999 > 121 123 O 0.28353496292134 0.64124792527367 0.97153288937866 15.999 > 121 124 O 0.78353496292134 0.64124792527367 0.97153288937866 15.999 > 121 125 O 0.28353496292134 0.85875207472633 0.22153288937866 15.999 > 125 126 O 0.78353496292134 0.85875207472633 0.22153288937866 15.999 > 125 127 O 0.28353496292134 0.85875207472633 0.72153288937866 15.999 > 125 128 O 0.78353496292134 0.85875207472633 0.72153288937866 15.999 > 125 129 O 0.34706458755836 0.35214956925671 0.24573818570487 15.999 > 129 130 O 0.84706458755836 0.35214956925671 0.24573818570487 15.999 > 129 131 O 0.34706458755836 0.35214956925671 0.74573818570487 15.999 > 129 132 O 0.84706458755836 0.35214956925671 0.74573818570487 15.999 > 129 133 O 0.34706458755836 0.14785043074329 0.49573818570487 15.999 > 133 134 O 0.84706458755836 0.14785043074329 0.49573818570487 15.999 > 133 135 O 0.34706458755836 0.14785043074329 0.99573818570487 15.999 > 133 136 O 0.84706458755836 0.14785043074329 0.99573818570487 15.999 > 133 137 O 0.15293541244164 0.64785043074329 0.25426181429513 15.999 > 137 138 O 0.65293541244164 0.64785043074329 0.25426181429513 15.999 > 137 139 O 0.15293541244164 0.64785043074329 0.75426181429513 15.999 > 137 140 O 0.65293541244164 0.64785043074329 0.75426181429513 15.999 > 137 141 O 0.15293541244164 0.85214956925671 0.00426181429513 15.999 > 141 142 O 0.65293541244164 0.85214956925671 0.00426181429513 15.999 > 141 143 O 0.15293541244164 0.85214956925671 0.50426181429513 15.999 > 141 144 O 0.65293541244164 0.85214956925671 0.50426181429513 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9241118 0.0000000 -0.0269488 0.0000000 2.9550192 0.0000000 -0.0269488 0.0000000 3.0474584 -------------------------- Born effective charges -------------------------- 1 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 2 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 3 Ba 2.5966823 0.0512587 0.0136183 -0.0044590 2.6083705 -0.0195170 0.0016544 -0.0263965 2.6777364 4 Ba 2.5966823 -0.0512587 0.0136183 0.0044590 2.6083705 0.0195170 0.0016544 0.0263965 2.6777364 5 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 6 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 7 H 0.3346347 -0.0590652 0.0153959 -0.0940358 0.8923494 0.4416648 -0.0057492 0.4430605 0.6117654 8 H 0.3346347 0.0590652 0.0153959 0.0940358 0.8923494 -0.4416648 -0.0057492 -0.4430605 0.6117654 9 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 10 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 11 H 0.6577796 0.0195744 -0.4744396 0.0209702 0.2330845 -0.0848534 -0.4900622 -0.0805332 1.0204821 12 H 0.6577796 -0.0195744 -0.4744396 -0.0209702 0.2330845 0.0848534 -0.4900622 0.0805332 1.0204821 13 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 14 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 15 H 0.8731752 -0.1165715 0.4954407 -0.1327892 0.3278706 -0.1137825 0.4965622 -0.0958173 0.7164481 16 H 0.8731752 0.1165715 0.4954407 0.1327892 0.3278706 0.1137825 0.4965622 0.0958173 0.7164481 17 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 18 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 19 H 0.4395950 0.0723108 -0.0961259 0.1058992 0.6199059 0.0230060 -0.0925948 -0.0450177 0.5987930 20 H 0.4395950 -0.0723108 -0.0961259 -0.1058992 0.6199059 -0.0230060 -0.0925948 0.0450177 0.5987930 21 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 22 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 23 Cl -1.1861853 -0.0413993 0.0568155 -0.0665514 -1.2918765 -0.0083512 0.0613661 0.0370674 -1.2724203 24 Cl -1.1861853 0.0413993 0.0568155 0.0665514 -1.2918765 0.0083512 0.0613661 -0.0370674 -1.2724203 25 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 26 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 27 Cl -1.1350741 -0.0046631 0.0543800 0.0121750 -1.1745649 -0.1542464 0.0160155 -0.1508069 -1.4032046 28 Cl -1.1350741 0.0046631 0.0543800 -0.0121750 -1.1745649 0.1542464 0.0160155 0.1508069 -1.4032046 29 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 30 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 31 O -1.2448598 0.0140701 0.0514106 0.0644487 -1.1656513 -0.1020949 0.1022235 -0.1117492 -1.5774544 32 O -1.2448598 -0.0140701 0.0514106 -0.0644487 -1.1656513 0.1020949 0.1022235 0.1117492 -1.5774544 33 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 34 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 35 O -1.3357477 0.0644063 -0.1164955 0.0599255 -1.0494881 0.0233211 -0.0894155 0.0602418 -1.3721457 36 O -1.3357477 -0.0644063 -0.1164955 -0.0599255 -1.0494881 -0.0233211 -0.0894155 -0.0602418 -1.3721457 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.886 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 17.266 ( 0.000 0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 19.940 ( 0.000 0.000 0.000) 0.000 20.098 ( 0.000 0.000 0.000) 0.000 20.131 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 0.000) 0.000 21.311 ( 0.000 0.000 0.000) 0.000 21.423 ( 0.000 0.000 0.000) 0.000 22.038 ( 0.000 0.000 0.000) 0.000 22.061 ( 0.000 0.000 0.000) 0.000 22.881 ( 0.000 0.000 0.000) 0.000 23.005 ( 0.000 0.000 0.000) 0.000 23.105 ( 0.000 0.000 0.000) 0.000 23.242 ( 0.000 0.000 0.000) 0.000 45.563 ( 0.000 0.000 0.000) 0.000 45.713 ( 0.000 0.000 0.000) 0.000 46.589 ( 0.000 0.000 0.000) 0.000 46.691 ( 0.000 0.000 0.000) 0.000 46.704 ( 0.000 0.000 0.000) 0.000 46.886 ( 0.000 0.000 0.000) 0.000 47.519 ( 0.000 0.000 0.000) 0.000 47.658 ( 0.000 0.000 0.000) 0.000 95.589 ( 0.000 0.000 0.000) 0.000 95.700 ( 0.000 0.000 0.000) 0.000 95.746 ( 0.000 0.000 0.000) 0.000 95.910 ( 0.000 0.000 0.000) 0.000 96.021 ( 0.000 0.000 0.000) 0.000 96.118 ( 0.000 0.000 0.000) 0.000 96.189 ( 0.000 0.000 0.000) 0.000 96.204 ( 0.000 0.000 0.000) 0.000 98.430 ( 0.000 0.000 0.000) 0.000 98.598 ( 0.000 0.000 0.000) 0.000 99.115 ( 0.000 0.000 0.000) 0.000 99.480 ( 0.000 0.000 0.000) 0.000 104.727 ( 0.000 0.000 0.000) 0.000 104.751 ( 0.000 0.000 0.000) 0.000 104.757 ( 0.000 0.000 0.000) 0.000 105.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 1.041 0.000 23.024) 23.047 0.383 ( 15.608 0.000 9.876) 18.470 0.828 ( 23.789 0.000 22.365) 32.651 0.963 ( 7.917 0.000 9.749) 12.559 1.368 ( 2.320 0.000 1.256) 2.638 1.515 ( 4.821 0.000 5.621) 7.405 1.766 ( 4.208 0.000 0.579) 4.248 2.179 ( -4.469 0.000 -1.145) 4.614 2.245 ( -1.341 0.000 -1.702) 2.167 2.357 ( -3.229 0.000 -0.549) 3.275 2.438 ( 2.689 0.000 -3.219) 4.194 2.612 ( -3.996 0.000 -3.108) 5.062 2.692 ( -3.169 0.000 -0.315) 3.185 2.785 ( 1.061 0.000 -1.947) 2.217 2.899 ( -1.924 0.000 -0.987) 2.162 2.918 ( -1.305 0.000 -2.869) 3.152 2.982 ( 0.543 0.000 -1.871) 1.948 2.996 ( 4.140 0.000 -6.668) 7.849 3.055 ( 0.213 0.000 3.247) 3.254 3.339 ( -5.751 0.000 -0.009) 5.751 3.378 ( -1.789 0.000 -1.439) 2.296 3.499 ( 1.968 0.000 -0.219) 1.981 3.607 ( 0.780 0.000 -1.844) 2.002 3.620 ( -1.935 0.000 -4.259) 4.678 3.657 ( 0.319 0.000 2.011) 2.036 3.801 ( 1.875 0.000 -6.596) 6.858 3.834 ( -2.542 0.000 1.650) 3.031 3.896 ( -7.841 0.000 8.795) 11.782 3.903 ( 1.764 0.000 -1.755) 2.488 3.990 ( -1.360 0.000 1.287) 1.873 4.245 ( -1.788 0.000 -0.986) 2.042 4.290 ( 0.679 0.000 -1.737) 1.865 4.387 ( -5.683 0.000 11.659) 12.970 4.394 ( 1.889 0.000 1.879) 2.665 4.608 ( 6.951 0.000 -8.060) 10.643 4.824 ( 0.029 0.000 -1.640) 1.640 5.523 ( 0.387 0.000 -1.732) 1.775 5.753 ( 1.143 0.000 -1.393) 1.802 5.791 ( -0.104 0.000 0.372) 0.386 5.814 ( -2.542 0.000 1.778) 3.102 5.899 ( 2.146 0.000 -1.882) 2.854 5.909 ( -1.176 0.000 1.922) 2.253 5.953 ( -0.666 0.000 1.323) 1.481 6.105 ( 0.861 0.000 -0.777) 1.160 6.162 ( 2.826 0.000 2.464) 3.749 6.203 ( -2.997 0.000 -0.285) 3.011 6.509 ( -3.143 0.000 1.276) 3.392 6.700 ( -3.086 0.000 0.519) 3.129 6.811 ( -2.227 0.000 -1.054) 2.463 6.814 ( 6.099 0.000 -6.568) 8.963 7.065 ( -9.313 0.000 10.383) 13.948 7.224 ( 1.083 0.000 -0.879) 1.395 7.638 ( 1.277 0.000 -0.040) 1.278 7.652 ( -0.044 0.000 -1.481) 1.482 7.698 ( 0.511 0.000 -1.187) 1.292 7.724 ( -1.825 0.000 1.124) 2.143 7.776 ( -2.247 0.000 0.575) 2.319 7.954 ( -1.245 0.000 -1.445) 1.908 8.088 ( 2.099 0.000 1.393) 2.519 8.293 ( -0.034 0.000 0.788) 0.788 13.268 ( -3.972 0.000 -3.010) 4.983 13.443 ( -4.821 0.000 0.895) 4.903 13.630 ( -3.341 0.000 0.706) 3.415 13.860 ( -21.501 0.000 30.856) 37.608 15.780 ( -6.603 0.000 -0.216) 6.607 15.878 ( -3.040 0.000 3.562) 4.683 16.075 ( 6.499 0.000 5.167) 8.302 16.332 ( 1.254 0.000 -3.254) 3.487 16.750 ( 0.367 0.000 0.338) 0.499 17.266 ( 0.203 0.000 -0.205) 0.288 18.177 ( 3.441 0.000 -2.480) 4.241 18.704 ( 3.633 0.000 0.871) 3.736 19.947 ( 0.938 0.000 -0.063) 0.940 20.096 ( 0.839 0.000 -1.145) 1.420 20.253 ( 1.370 0.000 -1.011) 1.703 20.353 ( -0.033 0.000 0.676) 0.677 21.320 ( 0.234 0.000 0.938) 0.967 21.415 ( -1.550 0.000 0.445) 1.613 22.045 ( 0.139 0.000 0.583) 0.599 22.566 ( -17.755 0.000 16.265) 24.079 23.019 ( 1.132 0.000 0.741) 1.353 23.080 ( 9.797 0.000 -14.233) 17.279 23.115 ( 0.362 0.000 0.824) 0.900 23.257 ( 3.114 0.000 -1.885) 3.640 45.562 ( -0.231 0.000 0.184) 0.295 45.721 ( 0.144 0.000 -0.451) 0.473 46.575 ( -1.722 0.000 0.769) 1.886 46.698 ( -0.940 0.000 0.053) 0.941 46.729 ( 2.937 0.000 1.140) 3.151 46.985 ( -3.719 0.000 1.626) 4.059 47.528 ( 1.225 0.000 -0.026) 1.225 47.672 ( 1.364 0.000 0.571) 1.479 95.623 ( 2.209 0.000 2.259) 3.159 95.695 ( 0.548 0.000 -1.475) 1.573 95.915 ( 0.372 0.000 0.243) 0.445 96.000 ( 2.664 0.000 -5.297) 5.929 96.062 ( 9.313 0.000 -9.733) 13.471 96.124 ( -0.923 0.000 1.706) 1.939 96.214 ( 2.027 0.000 1.308) 2.412 96.903 ( -8.887 0.000 4.269) 9.859 98.427 ( -0.083 0.000 -0.337) 0.347 98.611 ( 1.007 0.000 0.838) 1.310 99.134 ( 0.288 0.000 2.226) 2.244 99.581 ( -20.976 0.000 18.596) 28.032 104.727 ( -0.194 0.000 0.263) 0.327 104.742 ( -0.976 0.000 0.439) 1.071 104.771 ( 1.488 0.000 -0.330) 1.524 105.066 ( -0.992 0.000 -2.163) 2.379 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 1.926 0.000 20.925) 21.013 0.736 ( 13.610 0.000 8.843) 16.231 1.042 ( 3.759 0.000 4.592) 5.934 1.355 ( -1.184 0.000 -0.401) 1.250 1.618 ( 18.760 0.000 20.976) 28.141 1.815 ( 13.594 0.000 13.143) 18.909 1.861 ( 9.609 0.000 3.253) 10.145 2.015 ( -7.560 0.000 -10.353) 12.819 2.110 ( -8.388 0.000 -6.598) 10.672 2.230 ( -1.711 0.000 -12.670) 12.785 2.436 ( -2.692 0.000 3.647) 4.533 2.535 ( -4.870 0.000 4.532) 6.653 2.692 ( 0.507 0.000 2.303) 2.358 2.793 ( 2.719 0.000 -0.132) 2.722 2.822 ( -4.016 0.000 -3.256) 5.170 2.861 ( -0.707 0.000 -3.065) 3.145 2.960 ( 3.206 0.000 -5.647) 6.494 2.971 ( 1.559 0.000 -0.397) 1.609 3.130 ( 0.998 0.000 3.258) 3.408 3.220 ( -6.871 0.000 -2.840) 7.434 3.304 ( -4.002 0.000 -2.555) 4.748 3.479 ( -1.143 0.000 -4.935) 5.066 3.562 ( -1.682 0.000 1.526) 2.271 3.579 ( 0.597 0.000 -4.262) 4.303 3.673 ( -0.334 0.000 1.701) 1.734 3.741 ( 2.896 0.000 -6.375) 7.002 3.842 ( -1.026 0.000 1.434) 1.763 3.886 ( -5.609 0.000 4.538) 7.215 3.912 ( 1.166 0.000 1.602) 1.981 4.010 ( -1.865 0.000 4.779) 5.130 4.196 ( -1.924 0.000 -1.776) 2.618 4.279 ( 1.936 0.000 -2.797) 3.401 4.448 ( -0.991 0.000 2.362) 2.561 4.450 ( 2.468 0.000 0.744) 2.578 4.607 ( 2.126 0.000 -0.505) 2.185 4.797 ( 0.421 0.000 -2.304) 2.342 5.512 ( 1.232 0.000 -1.168) 1.698 5.765 ( 2.366 0.000 -0.429) 2.404 5.790 ( -2.211 0.000 0.815) 2.356 5.794 ( -0.362 0.000 0.440) 0.570 5.909 ( -1.919 0.000 1.480) 2.424 5.929 ( 3.366 0.000 -0.451) 3.396 5.977 ( 0.881 0.000 1.330) 1.596 6.077 ( 0.945 0.000 -5.320) 5.404 6.161 ( -4.782 0.000 3.263) 5.789 6.249 ( 3.191 0.000 2.880) 4.298 6.468 ( -5.330 0.000 1.540) 5.548 6.659 ( -3.140 0.000 0.673) 3.211 6.748 ( -3.677 0.000 -1.308) 3.903 6.808 ( 0.995 0.000 -1.715) 1.982 7.067 ( -2.920 0.000 2.449) 3.811 7.234 ( 2.468 0.000 -1.589) 2.935 7.618 ( -0.711 0.000 -2.445) 2.547 7.660 ( 1.020 0.000 0.594) 1.180 7.691 ( 1.553 0.000 -2.089) 2.603 7.712 ( -1.220 0.000 0.581) 1.352 7.749 ( -2.712 0.000 0.991) 2.888 7.907 ( -1.388 0.000 -1.980) 2.418 8.126 ( 0.817 0.000 0.217) 0.845 8.308 ( 0.157 0.000 0.951) 0.964 13.154 ( -6.058 0.000 -1.509) 6.243 13.374 ( -4.764 0.000 -0.029) 4.764 13.576 ( -4.043 0.000 -0.181) 4.047 14.015 ( -4.201 0.000 17.565) 18.060 15.687 ( -5.170 0.000 -0.420) 5.187 15.886 ( -5.367 0.000 6.491) 8.422 16.268 ( 8.045 0.000 6.278) 10.204 16.313 ( 4.173 0.000 -4.441) 6.094 16.767 ( 0.981 0.000 0.744) 1.231 17.269 ( 0.638 0.000 -0.239) 0.681 18.202 ( 2.904 0.000 -0.801) 3.012 18.787 ( 4.957 0.000 1.230) 5.107 19.962 ( 1.280 0.000 -0.397) 1.340 20.090 ( 1.006 0.000 -1.748) 2.017 20.262 ( 0.941 0.000 -0.266) 0.978 20.363 ( -0.039 0.000 0.696) 0.697 21.338 ( 0.047 0.000 1.074) 1.075 21.391 ( -2.498 0.000 0.647) 2.581 22.050 ( -0.216 0.000 -0.129) 0.252 22.510 ( -10.113 0.000 5.271) 11.404 23.027 ( 2.240 0.000 -5.572) 6.006 23.054 ( 1.756 0.000 0.898) 1.973 23.134 ( -0.083 0.000 1.423) 1.426 23.267 ( 2.022 0.000 -2.291) 3.056 45.560 ( -0.429 0.000 0.213) 0.479 45.715 ( -0.339 0.000 -0.174) 0.381 46.572 ( -0.974 0.000 1.661) 1.926 46.676 ( -2.092 0.000 0.145) 2.097 46.784 ( 2.217 0.000 0.644) 2.309 46.938 ( -2.636 0.000 -1.337) 2.955 47.553 ( 1.947 0.000 0.081) 1.948 47.713 ( 2.363 0.000 1.165) 2.635 95.672 ( 0.127 0.000 -2.510) 2.513 95.704 ( 3.086 0.000 2.975) 4.287 95.925 ( 0.274 0.000 0.227) 0.356 95.962 ( 1.981 0.000 -4.654) 5.058 96.058 ( 2.783 0.000 -3.588) 4.541 96.135 ( -1.187 0.000 1.953) 2.285 96.283 ( 3.310 0.000 2.515) 4.157 96.804 ( -7.550 0.000 -0.549) 7.570 98.419 ( -0.170 0.000 -0.530) 0.557 98.651 ( 1.967 0.000 1.593) 2.531 99.182 ( 0.379 0.000 3.772) 3.791 99.515 ( -11.163 0.000 6.308) 12.822 104.728 ( -0.402 0.000 0.466) 0.615 104.737 ( -0.585 0.000 0.451) 0.739 104.788 ( 1.421 0.000 -0.295) 1.451 105.009 ( -1.331 0.000 -3.125) 3.396 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.337 0.000 15.904) 15.960 1.028 ( 10.059 0.000 6.987) 12.248 1.141 ( 2.453 0.000 2.454) 3.470 1.353 ( -0.426 0.000 2.836) 2.868 1.696 ( -9.339 0.000 -14.460) 17.213 1.847 ( 2.698 0.000 0.862) 2.832 1.859 ( -8.254 0.000 -9.707) 12.742 2.002 ( -3.106 0.000 -12.432) 12.814 2.125 ( 12.508 0.000 10.597) 16.394 2.400 ( 19.628 0.000 19.420) 27.611 2.464 ( -4.243 0.000 6.973) 8.163 2.564 ( -2.766 0.000 6.518) 7.081 2.720 ( -2.622 0.000 -3.213) 4.147 2.737 ( 1.697 0.000 1.642) 2.361 2.790 ( -0.419 0.000 -5.498) 5.514 2.863 ( 3.403 0.000 -0.191) 3.408 2.952 ( 3.110 0.000 -2.212) 3.817 2.993 ( 1.780 0.000 0.118) 1.784 3.076 ( -5.298 0.000 -3.927) 6.595 3.152 ( -1.196 0.000 1.747) 2.117 3.206 ( -4.502 0.000 -1.979) 4.918 3.389 ( -2.459 0.000 -2.823) 3.744 3.505 ( -1.254 0.000 -4.696) 4.861 3.559 ( -0.851 0.000 0.082) 0.855 3.713 ( 3.251 0.000 -4.064) 5.204 3.732 ( 1.915 0.000 4.611) 4.993 3.830 ( -0.476 0.000 -0.427) 0.640 3.867 ( -3.958 0.000 2.831) 4.866 3.984 ( 1.793 0.000 3.946) 4.334 4.056 ( -1.254 0.000 4.676) 4.841 4.141 ( -1.553 0.000 -2.344) 2.812 4.268 ( 1.593 0.000 -2.530) 2.990 4.407 ( -1.877 0.000 -4.078) 4.490 4.471 ( 2.104 0.000 -2.588) 3.335 4.662 ( 0.911 0.000 3.886) 3.992 4.790 ( 1.466 0.000 -0.253) 1.488 5.530 ( 1.859 0.000 0.303) 1.883 5.780 ( 0.543 0.000 0.180) 0.572 5.791 ( -0.778 0.000 0.419) 0.884 5.819 ( 3.066 0.000 1.661) 3.487 5.897 ( -1.325 0.000 0.356) 1.372 5.956 ( 1.050 0.000 -1.285) 1.660 6.006 ( 0.368 0.000 1.275) 1.327 6.029 ( 1.957 0.000 -2.636) 3.283 6.139 ( -4.353 0.000 2.764) 5.156 6.327 ( 2.431 0.000 2.060) 3.186 6.386 ( -6.629 0.000 -0.565) 6.653 6.636 ( -1.052 0.000 0.764) 1.300 6.677 ( -3.877 0.000 -0.443) 3.902 6.799 ( -0.983 0.000 0.635) 1.170 7.039 ( -2.222 0.000 -1.179) 2.516 7.250 ( 2.959 0.000 -2.066) 3.609 7.571 ( -1.147 0.000 -1.864) 2.189 7.673 ( 0.461 0.000 -2.688) 2.728 7.689 ( 0.659 0.000 1.670) 1.795 7.707 ( -0.653 0.000 0.646) 0.919 7.735 ( -0.690 0.000 0.886) 1.123 7.866 ( -0.592 0.000 -1.518) 1.629 8.111 ( -1.521 0.000 -1.431) 2.088 8.320 ( 0.053 0.000 0.474) 0.477 13.063 ( -5.630 0.000 1.108) 5.738 13.309 ( -3.066 0.000 -0.738) 3.154 13.519 ( -2.548 0.000 -0.411) 2.581 14.212 ( 0.890 0.000 12.875) 12.906 15.617 ( -3.363 0.000 -0.397) 3.386 15.900 ( -5.328 0.000 6.752) 8.601 16.342 ( 6.223 0.000 -2.498) 6.706 16.476 ( 7.110 0.000 6.408) 9.571 16.800 ( 1.609 0.000 1.106) 1.952 17.278 ( 1.025 0.000 -0.202) 1.045 18.240 ( 2.706 0.000 0.186) 2.712 18.874 ( 4.074 0.000 1.213) 4.250 19.971 ( 1.013 0.000 -0.766) 1.271 20.075 ( 0.378 0.000 -1.773) 1.813 20.272 ( 0.701 0.000 -0.036) 0.702 20.370 ( 0.086 0.000 0.300) 0.312 21.348 ( -0.243 0.000 0.596) 0.644 21.365 ( -2.141 0.000 0.755) 2.270 22.026 ( -1.219 0.000 -1.859) 2.223 22.421 ( -7.304 0.000 1.100) 7.387 22.994 ( 0.721 0.000 -2.215) 2.329 23.091 ( 1.809 0.000 0.446) 1.863 23.150 ( -0.804 0.000 1.792) 1.964 23.253 ( 0.654 0.000 -2.407) 2.494 45.555 ( -0.513 0.000 0.102) 0.523 45.707 ( -0.465 0.000 -0.097) 0.475 46.591 ( -0.089 0.000 2.084) 2.085 46.643 ( -2.686 0.000 0.447) 2.723 46.805 ( 0.503 0.000 -0.673) 0.841 46.872 ( -2.006 0.000 -2.913) 3.537 47.585 ( 1.920 0.000 0.192) 1.930 47.769 ( 2.516 0.000 1.422) 2.890 95.631 ( -0.575 0.000 -2.488) 2.553 95.779 ( 2.270 0.000 1.365) 2.648 95.922 ( -0.674 0.000 -0.415) 0.792 95.940 ( 1.870 0.000 -2.006) 2.743 96.045 ( 1.047 0.000 -2.238) 2.471 96.145 ( -0.549 0.000 1.401) 1.505 96.374 ( 3.444 0.000 2.893) 4.498 96.675 ( -6.761 0.000 -1.912) 7.026 98.409 ( -0.165 0.000 -0.446) 0.475 98.710 ( 2.386 0.000 1.826) 3.005 99.245 ( 0.271 0.000 4.088) 4.097 99.438 ( -6.908 0.000 2.091) 7.217 104.728 ( -0.550 0.000 0.522) 0.759 104.736 ( -0.275 0.000 0.366) 0.457 104.804 ( 1.123 0.000 -0.235) 1.147 104.948 ( -0.915 0.000 -2.847) 2.991 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.344 0.000 6.002) 6.151 1.187 ( 1.527 0.000 -0.484) 1.602 1.188 ( 1.796 0.000 0.538) 1.875 1.429 ( -2.279 0.000 -5.109) 5.594 1.441 ( 1.525 0.000 7.231) 7.390 1.626 ( -5.640 0.000 -7.637) 9.494 1.819 ( -1.991 0.000 -7.353) 7.618 1.866 ( 0.892 0.000 -1.525) 1.767 2.420 ( 8.762 0.000 7.566) 11.577 2.509 ( -1.812 0.000 6.192) 6.452 2.614 ( -1.774 0.000 4.116) 4.482 2.660 ( -1.212 0.000 -0.810) 1.458 2.697 ( 1.737 0.000 -5.303) 5.580 2.776 ( 0.415 0.000 0.349) 0.542 2.809 ( -1.389 0.000 -5.516) 5.688 2.826 ( 2.917 0.000 6.466) 7.093 2.972 ( 1.890 0.000 -0.696) 2.014 3.005 ( 3.291 0.000 1.356) 3.560 3.052 ( 2.335 0.000 0.992) 2.537 3.125 ( -2.280 0.000 -0.458) 2.326 3.194 ( 0.798 0.000 3.587) 3.674 3.342 ( -1.128 0.000 0.406) 1.198 3.425 ( -1.736 0.000 -3.008) 3.473 3.545 ( -0.228 0.000 -0.608) 0.649 3.722 ( 3.539 0.000 -1.583) 3.877 3.828 ( 1.073 0.000 1.175) 1.591 3.832 ( 0.863 0.000 3.760) 3.858 3.840 ( -3.543 0.000 0.940) 3.666 4.044 ( 1.227 0.000 0.615) 1.373 4.084 ( -1.514 0.000 -2.125) 2.609 4.097 ( -0.089 0.000 2.375) 2.377 4.230 ( -1.998 0.000 -3.606) 4.122 4.332 ( -0.505 0.000 -1.863) 1.930 4.461 ( 1.782 0.000 -2.192) 2.825 4.720 ( 0.468 0.000 2.508) 2.552 4.823 ( 1.518 0.000 1.010) 1.823 5.565 ( 1.397 0.000 0.702) 1.563 5.784 ( -0.793 0.000 0.280) 0.841 5.804 ( 1.986 0.000 0.358) 2.018 5.882 ( -0.707 0.000 -0.188) 0.732 5.888 ( 3.372 0.000 0.245) 3.381 5.955 ( -0.510 0.000 1.336) 1.429 6.022 ( -0.050 0.000 0.695) 0.696 6.040 ( 0.992 0.000 0.022) 0.993 6.113 ( -1.867 0.000 0.821) 2.040 6.263 ( -6.274 0.000 -2.625) 6.801 6.376 ( 1.250 0.000 0.976) 1.585 6.625 ( -2.699 0.000 0.154) 2.703 6.646 ( 0.781 0.000 0.500) 0.927 6.807 ( -0.733 0.000 2.498) 2.603 6.971 ( -2.431 0.000 -3.022) 3.878 7.259 ( 1.945 0.000 -1.761) 2.624 7.539 ( -0.661 0.000 -0.573) 0.875 7.640 ( -0.440 0.000 -1.512) 1.574 7.708 ( -0.345 0.000 0.346) 0.489 7.722 ( 0.988 0.000 0.863) 1.311 7.747 ( 0.391 0.000 0.943) 1.021 7.847 ( 0.065 0.000 -0.763) 0.766 8.056 ( -2.258 0.000 -1.610) 2.773 8.323 ( -0.106 0.000 0.046) 0.116 13.015 ( -3.372 0.000 1.487) 3.686 13.266 ( -1.366 0.000 -0.656) 1.515 13.493 ( -0.805 0.000 0.061) 0.807 14.379 ( 1.508 0.000 7.298) 7.452 15.576 ( -1.581 0.000 -0.199) 1.594 15.917 ( -2.884 0.000 4.171) 5.071 16.410 ( 4.510 0.000 -0.223) 4.515 16.638 ( 4.069 0.000 4.056) 5.745 16.840 ( 1.416 0.000 0.948) 1.704 17.291 ( 0.849 0.000 -0.165) 0.865 18.281 ( 1.818 0.000 0.572) 1.906 18.936 ( 2.126 0.000 0.842) 2.286 19.971 ( 0.493 0.000 -0.677) 0.837 20.054 ( -0.204 0.000 -1.213) 1.230 20.280 ( 0.372 0.000 0.009) 0.373 20.375 ( 0.195 0.000 0.048) 0.201 21.350 ( -0.219 0.000 0.171) 0.278 21.353 ( -0.849 0.000 0.749) 1.133 21.969 ( -1.646 0.000 -2.404) 2.913 22.340 ( -4.111 0.000 -0.120) 4.113 22.982 ( 0.272 0.000 -0.729) 0.779 23.118 ( 1.238 0.000 0.035) 1.239 23.161 ( -0.809 0.000 1.404) 1.621 23.226 ( -0.040 0.000 -1.688) 1.689 45.549 ( -0.365 0.000 0.004) 0.365 45.699 ( -0.320 0.000 -0.052) 0.324 46.615 ( -1.928 0.000 0.677) 2.044 46.624 ( 0.464 0.000 1.895) 1.950 46.786 ( -0.590 0.000 -1.428) 1.545 46.806 ( -1.153 0.000 -2.655) 2.895 47.611 ( 1.176 0.000 0.157) 1.187 47.819 ( 1.607 0.000 0.980) 1.883 95.593 ( -0.600 0.000 -1.469) 1.587 95.806 ( 0.924 0.000 -0.494) 1.048 95.897 ( -1.120 0.000 -0.760) 1.354 95.962 ( 1.641 0.000 0.847) 1.847 96.026 ( 0.274 0.000 -1.795) 1.816 96.157 ( 0.086 0.000 0.760) 0.765 96.454 ( 2.223 0.000 1.952) 2.958 96.565 ( -4.309 0.000 -1.471) 4.553 98.403 ( -0.075 0.000 -0.201) 0.215 98.764 ( 1.691 0.000 1.218) 2.085 99.298 ( 0.110 0.000 2.740) 2.742 99.377 ( -3.407 0.000 0.505) 3.444 104.727 ( -0.442 0.000 0.350) 0.564 104.738 ( -0.096 0.000 0.202) 0.223 104.814 ( 0.629 0.000 -0.133) 0.643 104.906 ( -0.349 0.000 -1.652) 1.688 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.454 ( -0.000 0.000 -0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.592 ( -0.000 0.000 -0.000) 0.000 2.642 ( 0.000 0.000 -0.000) 0.000 2.663 ( -0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.784 ( -0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 4.050 ( -0.000 0.000 -0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 -0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 -0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.142 ( -0.000 0.000 -0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 8.023 ( -0.000 0.000 -0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 13.489 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.926 ( 0.000 0.000 0.000) 0.000 16.446 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 17.296 ( 0.000 0.000 0.000) 0.000 18.301 ( 0.000 0.000 0.000) 0.000 18.958 ( 0.000 0.000 0.000) 0.000 19.970 ( 0.000 0.000 0.000) 0.000 20.042 ( 0.000 0.000 0.000) 0.000 20.283 ( 0.000 0.000 0.000) 0.000 20.377 ( 0.000 0.000 0.000) 0.000 21.349 ( 0.000 0.000 0.000) 0.000 21.354 ( 0.000 0.000 0.000) 0.000 21.935 ( 0.000 0.000 0.000) 0.000 22.307 ( 0.000 0.000 0.000) 0.000 22.979 ( 0.000 0.000 0.000) 0.000 23.128 ( 0.000 0.000 0.000) 0.000 23.165 ( 0.000 0.000 0.000) 0.000 23.212 ( 0.000 0.000 -0.000) 0.000 45.546 ( 0.000 0.000 0.000) 0.000 45.696 ( 0.000 0.000 0.000) 0.000 46.606 ( 0.000 0.000 0.000) 0.000 46.645 ( 0.000 0.000 0.000) 0.000 46.766 ( 0.000 0.000 0.000) 0.000 46.776 ( 0.000 0.000 0.000) 0.000 47.621 ( 0.000 0.000 0.000) 0.000 47.839 ( 0.000 0.000 0.000) 0.000 95.577 ( 0.000 0.000 0.000) 0.000 95.808 ( 0.000 0.000 0.000) 0.000 95.881 ( 0.000 0.000 0.000) 0.000 95.993 ( 0.000 0.000 0.000) 0.000 96.006 ( 0.000 0.000 0.000) 0.000 96.164 ( 0.000 0.000 0.000) 0.000 96.486 ( 0.000 0.000 0.000) 0.000 96.520 ( 0.000 0.000 0.000) 0.000 98.401 ( 0.000 0.000 0.000) 0.000 98.787 ( 0.000 0.000 0.000) 0.000 99.319 ( 0.000 0.000 0.000) 0.000 99.355 ( 0.000 0.000 0.000) 0.000 104.726 ( 0.000 0.000 0.000) 0.000 104.738 ( 0.000 0.000 0.000) 0.000 104.818 ( 0.000 0.000 0.000) 0.000 104.892 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 0.000 16.024 0.000) 16.024 0.372 ( 0.000 19.641 0.000) 19.641 0.689 ( 0.000 34.297 0.000) 34.297 0.868 ( 0.000 -1.418 0.000) 1.418 1.239 ( 0.000 -5.382 0.000) 5.382 1.464 ( 0.000 -1.615 0.000) 1.615 1.644 ( 0.000 -7.315 0.000) 7.315 2.209 ( 0.000 -3.077 0.000) 3.077 2.293 ( 0.000 1.690 0.000) 1.690 2.395 ( 0.000 -5.601 0.000) 5.601 2.457 ( 0.000 3.616 0.000) 3.616 2.657 ( 0.000 -4.863 0.000) 4.863 2.687 ( 0.000 -0.632 0.000) 0.632 2.854 ( 0.000 1.131 0.000) 1.131 2.871 ( 0.000 -6.668 0.000) 6.668 2.948 ( 0.000 2.277 0.000) 2.277 2.974 ( 0.000 2.471 0.000) 2.471 2.980 ( 0.000 -0.801 0.000) 0.801 3.036 ( 0.000 -1.561 0.000) 1.561 3.117 ( 0.000 -1.195 0.000) 1.195 3.503 ( 0.000 2.148 0.000) 2.148 3.580 ( 0.000 -1.762 0.000) 1.762 3.596 ( 0.000 -0.095 0.000) 0.095 3.661 ( 0.000 2.132 0.000) 2.132 3.765 ( 0.000 -2.844 0.000) 2.844 3.792 ( 0.000 -2.538 0.000) 2.538 3.902 ( 0.000 0.636 0.000) 0.636 3.904 ( 0.000 2.593 0.000) 2.593 3.954 ( 0.000 4.660 0.000) 4.660 4.022 ( 0.000 3.175 0.000) 3.175 4.121 ( 0.000 -0.928 0.000) 0.928 4.325 ( 0.000 -3.596 0.000) 3.596 4.353 ( 0.000 3.715 0.000) 3.715 4.631 ( 0.000 4.095 0.000) 4.095 4.777 ( 0.000 -5.384 0.000) 5.384 4.963 ( 0.000 -2.881 0.000) 2.881 5.559 ( 0.000 2.515 0.000) 2.515 5.752 ( 0.000 -1.493 0.000) 1.493 5.780 ( 0.000 -0.125 0.000) 0.125 5.816 ( 0.000 -0.602 0.000) 0.602 5.870 ( 0.000 -1.399 0.000) 1.399 5.895 ( 0.000 -0.564 0.000) 0.564 5.992 ( 0.000 3.608 0.000) 3.608 6.109 ( 0.000 -0.907 0.000) 0.907 6.181 ( 0.000 -0.086 0.000) 0.086 6.213 ( 0.000 -0.491 0.000) 0.491 6.262 ( 0.000 2.905 0.000) 2.905 6.496 ( 0.000 -2.980 0.000) 2.980 6.726 ( 0.000 0.434 0.000) 0.434 6.812 ( 0.000 -2.130 0.000) 2.130 6.969 ( 0.000 3.950 0.000) 3.950 7.251 ( 0.000 -3.600 0.000) 3.600 7.620 ( 0.000 -0.323 0.000) 0.323 7.654 ( 0.000 -0.677 0.000) 0.677 7.750 ( 0.000 1.568 0.000) 1.568 7.765 ( 0.000 0.422 0.000) 0.422 7.801 ( 0.000 1.104 0.000) 1.104 7.879 ( 0.000 -0.859 0.000) 0.859 8.076 ( 0.000 2.263 0.000) 2.263 8.268 ( 0.000 -2.179 0.000) 2.179 13.297 ( 0.000 -0.076 0.000) 0.076 13.381 ( 0.000 5.016 0.000) 5.016 13.436 ( 0.000 -3.782 0.000) 3.782 13.725 ( 0.000 -3.161 0.000) 3.161 15.803 ( 0.000 -1.629 0.000) 1.629 15.933 ( 0.000 -2.454 0.000) 2.454 16.011 ( 0.000 7.690 0.000) 7.690 16.325 ( 0.000 -2.572 0.000) 2.572 16.792 ( 0.000 4.912 0.000) 4.912 17.209 ( 0.000 -5.762 0.000) 5.762 18.236 ( 0.000 7.048 0.000) 7.048 18.662 ( 0.000 -4.005 0.000) 4.005 19.949 ( 0.000 0.935 0.000) 0.935 20.059 ( 0.000 -2.641 0.000) 2.641 20.175 ( 0.000 3.092 0.000) 3.092 20.347 ( 0.000 -2.091 0.000) 2.091 21.320 ( 0.000 0.996 0.000) 0.996 21.410 ( 0.000 -1.365 0.000) 1.365 22.045 ( 0.000 0.175 0.000) 0.175 22.060 ( 0.000 -0.157 0.000) 0.157 22.905 ( 0.000 2.445 0.000) 2.445 23.027 ( 0.000 2.378 0.000) 2.378 23.090 ( 0.000 -2.292 0.000) 2.292 23.220 ( 0.000 -2.283 0.000) 2.283 45.681 ( 0.000 0.019 0.000) 0.019 45.707 ( 0.000 -0.628 0.000) 0.628 46.610 ( 0.000 2.239 0.000) 2.239 46.724 ( 0.000 2.001 0.000) 2.001 46.780 ( 0.000 -1.894 0.000) 1.894 46.871 ( 0.000 -1.581 0.000) 1.581 47.532 ( 0.000 1.337 0.000) 1.337 47.644 ( 0.000 -1.438 0.000) 1.438 95.596 ( 0.000 0.816 0.000) 0.816 95.680 ( 0.000 -1.658 0.000) 1.658 95.767 ( 0.000 1.792 0.000) 1.792 95.890 ( 0.000 -1.948 0.000) 1.948 96.037 ( 0.000 1.425 0.000) 1.425 96.110 ( 0.000 -0.798 0.000) 0.798 96.221 ( 0.000 1.662 0.000) 1.662 96.345 ( 0.000 -1.514 0.000) 1.514 98.447 ( 0.000 1.728 0.000) 1.728 98.582 ( 0.000 -1.631 0.000) 1.631 99.488 ( 0.000 0.875 0.000) 0.875 99.557 ( 0.000 -0.832 0.000) 0.832 104.729 ( 0.000 0.251 0.000) 0.251 104.749 ( 0.000 -0.232 0.000) 0.232 105.032 ( 0.000 0.077 0.000) 0.077 105.038 ( 0.000 -0.065 0.000) 0.065 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.744 11.094 17.312) 20.575 0.566 ( 10.304 14.119 9.086) 19.700 0.918 ( 2.711 -0.557 3.905) 4.787 1.072 ( 22.823 18.811 20.406) 35.933 1.314 ( 3.159 -5.405 3.609) 7.226 1.491 ( 3.282 -1.554 3.514) 5.053 1.678 ( 3.968 -7.641 0.700) 8.638 2.179 ( -2.891 -1.346 -2.088) 3.812 2.266 ( -1.917 0.895 -2.066) 2.957 2.349 ( -3.943 -1.531 -0.652) 4.279 2.465 ( 0.861 1.050 -2.468) 2.817 2.630 ( 0.434 0.090 -0.532) 0.693 2.644 ( -5.005 -2.536 -2.286) 6.058 2.782 ( 0.510 -0.204 -2.230) 2.296 2.903 ( 0.192 -4.387 -1.322) 4.586 2.924 ( 1.148 -0.455 -2.113) 2.447 2.931 ( -2.822 1.943 -1.244) 3.646 2.998 ( 2.466 0.238 -3.876) 4.600 3.061 ( 0.474 0.575 3.195) 3.281 3.197 ( -0.696 -5.125 4.830) 7.077 3.511 ( 1.323 1.102 -1.492) 2.278 3.571 ( -1.952 4.643 -2.201) 5.497 3.594 ( -1.051 -0.834 -0.767) 1.545 3.630 ( 1.727 3.297 -7.362) 8.250 3.677 ( -1.022 1.170 -0.852) 1.772 3.805 ( -3.483 -0.770 0.101) 3.568 3.859 ( -1.886 4.156 -4.506) 6.413 3.875 ( 0.954 -1.786 -1.629) 2.599 3.915 ( -6.586 0.349 5.196) 8.396 4.037 ( -2.260 4.829 4.491) 6.971 4.126 ( 1.073 -5.769 -0.930) 5.941 4.333 ( -0.727 2.083 -0.475) 2.257 4.359 ( 0.952 -1.748 1.883) 2.740 4.555 ( -9.544 8.077 1.548) 12.599 4.645 ( 3.423 3.764 -11.887) 12.930 4.768 ( -0.052 -5.283 -1.268) 5.433 5.547 ( 0.385 2.552 -1.623) 3.048 5.749 ( 0.693 -1.555 -0.824) 1.892 5.779 ( 0.274 -0.177 -0.314) 0.452 5.810 ( -2.400 -0.413 1.794) 3.025 5.865 ( 1.059 -1.545 -1.280) 2.269 5.905 ( 0.475 -0.653 0.585) 0.997 6.003 ( -0.468 3.432 0.889) 3.576 6.115 ( 0.008 0.129 0.295) 0.322 6.155 ( 1.891 0.680 0.431) 2.056 6.238 ( -1.059 2.894 1.128) 3.282 6.483 ( -2.534 -3.149 1.179) 4.210 6.592 ( 0.780 -12.097 7.679) 14.350 6.745 ( 2.535 -1.837 0.887) 3.253 6.793 ( -1.204 -1.804 -1.260) 2.508 7.017 ( -0.117 0.823 4.817) 4.888 7.230 ( -0.610 -1.931 -1.275) 2.394 7.624 ( -0.037 -0.648 0.361) 0.743 7.653 ( 0.777 -0.064 -1.085) 1.336 7.713 ( 1.243 1.184 -3.694) 4.073 7.750 ( -2.018 0.504 0.958) 2.290 7.794 ( -1.921 2.566 0.853) 3.317 7.922 ( 0.624 -2.214 0.006) 2.300 8.104 ( 1.602 1.734 1.482) 2.787 8.273 ( 0.087 -2.142 0.732) 2.265 13.310 ( -3.943 4.288 -3.102) 6.600 13.401 ( -3.698 -2.690 4.995) 6.772 13.609 ( 2.219 -3.849 4.479) 6.309 13.688 ( -9.776 -10.227 17.136) 22.221 15.778 ( -3.805 0.727 1.122) 4.033 15.908 ( -6.823 1.029 4.954) 8.495 16.089 ( 7.774 2.193 1.508) 8.217 16.310 ( 1.277 -2.384 -3.054) 4.079 16.797 ( 0.214 4.907 0.497) 4.937 17.213 ( -0.354 -5.575 0.595) 5.618 18.249 ( 3.206 7.147 -1.970) 8.077 18.675 ( 2.910 -3.551 0.193) 4.596 19.957 ( 0.927 1.092 0.142) 1.440 20.082 ( 1.181 -1.931 -0.573) 2.335 20.228 ( 2.671 -0.473 0.802) 2.829 20.345 ( -0.104 -1.479 0.225) 1.499 21.328 ( 0.190 0.892 0.833) 1.235 21.405 ( -1.147 -1.022 0.431) 1.596 22.052 ( 0.161 0.891 1.161) 1.473 22.352 ( -1.027 -15.360 15.718) 22.001 22.976 ( 8.861 -2.353 -3.539) 9.827 23.040 ( 0.668 2.138 0.963) 2.438 23.101 ( 1.067 -1.970 0.077) 2.242 23.227 ( 1.393 -2.446 -0.318) 2.832 45.619 ( -2.054 3.464 -1.541) 4.312 45.712 ( 0.176 -0.906 -0.357) 0.989 46.594 ( -3.149 1.683 0.473) 3.601 46.716 ( -2.060 -0.968 0.755) 2.398 46.732 ( 2.432 2.844 -0.370) 3.760 46.946 ( 0.598 -3.212 1.459) 3.578 47.540 ( 1.048 1.325 0.118) 1.694 47.657 ( 1.291 -1.519 0.536) 2.064 95.632 ( 2.291 0.973 2.208) 3.328 95.697 ( 0.510 0.018 -0.989) 1.113 95.896 ( 1.199 -1.727 -0.348) 2.131 95.945 ( 9.953 -5.691 -5.683) 12.797 96.058 ( 2.426 0.876 0.623) 2.653 96.120 ( -0.742 -0.545 2.068) 2.264 96.226 ( 1.144 1.524 0.875) 2.097 96.554 ( 2.025 -17.726 14.906) 23.248 98.442 ( 0.009 1.827 -0.441) 1.880 98.594 ( 0.943 -1.827 0.652) 2.157 99.321 ( -2.225 10.149 -7.827) 13.008 99.560 ( -14.269 -2.023 12.215) 18.892 104.727 ( -0.345 0.255 0.172) 0.462 104.749 ( -0.022 -0.181 -0.094) 0.205 104.878 ( -3.612 7.041 -3.773) 8.767 105.051 ( -0.840 -1.431 -1.878) 2.506 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 1.775 5.435 18.547) 19.408 0.845 ( 10.281 10.077 7.958) 16.449 1.031 ( 2.966 -1.374 5.225) 6.163 1.355 ( 0.128 -0.280 0.571) 0.649 1.666 ( 6.593 -1.665 9.167) 11.414 1.729 ( 14.758 -5.459 12.059) 19.825 1.795 ( 13.559 -0.418 9.448) 16.532 2.036 ( -5.811 1.434 -8.939) 10.758 2.126 ( -8.052 0.513 -8.200) 11.503 2.256 ( 1.497 1.865 -6.795) 7.204 2.442 ( -3.948 0.020 4.563) 6.034 2.552 ( -5.484 0.083 2.990) 6.246 2.692 ( 3.546 1.053 2.487) 4.458 2.776 ( 1.463 -0.778 -1.205) 2.049 2.841 ( -1.347 0.698 -3.862) 4.149 2.874 ( -1.563 -0.073 -2.323) 2.801 2.936 ( 2.291 -0.630 -1.333) 2.724 2.988 ( 2.444 1.402 -1.740) 3.311 3.114 ( 0.004 -1.322 2.553) 2.875 3.181 ( -4.505 -2.637 -0.661) 5.262 3.393 ( -5.626 6.776 -6.724) 11.080 3.495 ( -1.375 2.250 -4.177) 4.940 3.537 ( -1.818 -1.493 -2.108) 3.159 3.624 ( 0.528 3.362 0.438) 3.431 3.676 ( -0.164 0.610 0.736) 0.970 3.745 ( 1.114 -0.049 -4.782) 4.910 3.821 ( -1.961 -1.556 1.974) 3.188 3.870 ( 0.084 -2.878 0.593) 2.939 3.887 ( -2.520 -0.218 1.012) 2.725 4.079 ( -2.246 5.706 6.019) 8.593 4.118 ( 0.153 -6.439 -1.135) 6.541 4.309 ( 1.175 2.984 -2.845) 4.287 4.413 ( 0.952 -3.478 2.479) 4.376 4.504 ( -1.399 4.235 -1.153) 4.606 4.591 ( 1.197 -2.031 -1.563) 2.829 4.743 ( 0.298 -5.141 -2.015) 5.530 5.536 ( 1.114 2.553 -1.144) 3.011 5.753 ( 0.415 -2.868 -0.099) 2.899 5.787 ( 1.402 0.905 0.102) 1.672 5.791 ( -2.099 0.206 1.148) 2.401 5.880 ( 1.209 -1.825 0.310) 2.212 5.917 ( 1.062 -0.924 -0.427) 1.470 6.015 ( 0.764 2.738 0.477) 2.882 6.102 ( 0.871 1.923 -3.515) 4.100 6.155 ( -3.243 0.193 2.088) 3.862 6.278 ( 1.220 2.457 3.163) 4.187 6.449 ( -4.887 -1.837 1.858) 5.542 6.606 ( -3.346 -5.253 1.888) 6.508 6.740 ( -2.823 -0.599 -0.627) 2.953 6.789 ( 1.429 -1.850 -0.307) 2.358 7.058 ( -0.850 0.004 1.647) 1.853 7.212 ( 0.957 -2.403 -1.642) 3.064 7.624 ( -0.681 0.120 -0.349) 0.775 7.642 ( 0.778 -0.342 -1.278) 1.535 7.697 ( 1.675 0.643 -2.294) 2.912 7.734 ( -1.388 -0.350 0.706) 1.597 7.770 ( -1.941 3.381 0.210) 3.904 7.899 ( -1.051 -0.871 -1.728) 2.202 8.139 ( 0.645 1.369 0.351) 1.553 8.288 ( 0.212 -2.043 0.901) 2.243 13.185 ( -7.114 3.198 -1.719) 7.987 13.379 ( -5.242 0.254 0.386) 5.263 13.560 ( -2.589 -1.094 0.895) 2.949 13.914 ( -0.107 -9.423 16.624) 19.109 15.725 ( -4.807 3.840 0.734) 6.196 15.891 ( -5.814 0.255 5.840) 8.244 16.256 ( 7.832 -1.003 5.094) 9.397 16.296 ( 4.245 -1.656 -3.866) 5.975 16.814 ( 0.828 4.843 0.885) 4.992 17.216 ( 0.153 -5.368 0.248) 5.376 18.276 ( 3.182 7.409 -0.992) 8.124 18.744 ( 4.600 -4.661 0.850) 6.604 19.974 ( 1.263 1.314 -0.274) 1.843 20.082 ( 0.919 -0.990 -1.457) 1.986 20.261 ( 1.384 0.169 0.065) 1.396 20.351 ( 0.108 -1.363 0.488) 1.452 21.343 ( -0.095 0.571 0.930) 1.096 21.388 ( -1.980 -0.356 0.619) 2.104 22.066 ( -0.385 1.902 0.613) 2.035 22.420 ( -6.530 -8.640 5.592) 12.188 23.011 ( 2.941 -0.470 -3.001) 4.228 23.070 ( 1.058 1.609 1.270) 2.307 23.119 ( 0.743 -1.538 0.517) 1.784 23.242 ( 1.888 -2.445 -1.623) 3.490 45.589 ( -0.805 2.625 -0.285) 2.760 45.706 ( -0.238 -0.917 -0.255) 0.981 46.562 ( -2.633 -0.205 1.382) 2.980 46.690 ( -3.391 -1.104 1.171) 3.754 46.778 ( 3.036 1.703 -0.280) 3.492 46.943 ( -0.312 -0.206 -1.343) 1.394 47.565 ( 1.792 1.322 0.258) 2.242 47.696 ( 2.228 -1.769 1.084) 3.044 95.678 ( 0.188 0.677 -2.263) 2.370 95.707 ( 2.643 0.184 2.255) 3.479 95.911 ( 1.480 -1.051 -0.345) 1.848 95.948 ( 2.800 -1.390 -4.316) 5.329 96.087 ( 1.157 2.632 -0.560) 2.929 96.141 ( -0.357 0.640 1.964) 2.096 96.280 ( 2.545 -0.056 2.380) 3.485 96.658 ( -3.449 -12.706 3.199) 13.549 98.438 ( 0.111 2.153 -0.326) 2.180 98.629 ( 1.781 -2.335 1.381) 3.246 99.256 ( -1.551 6.328 1.111) 6.609 99.499 ( -9.630 -1.802 4.947) 10.975 104.726 ( -0.419 0.154 0.421) 0.614 104.745 ( -0.217 0.110 -0.076) 0.255 104.827 ( -0.125 3.799 -1.035) 3.940 104.996 ( -1.352 -1.338 -2.976) 3.532 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 1.325 2.105 14.255) 14.470 1.082 ( 7.614 5.417 5.979) 11.094 1.134 ( 2.291 -0.723 3.332) 4.107 1.374 ( 0.174 2.044 2.721) 3.407 1.690 ( -7.165 -1.540 -10.392) 12.716 1.792 ( 0.864 -4.536 -0.308) 4.628 1.842 ( -5.623 -3.529 -10.965) 12.818 1.883 ( -1.127 -6.137 -4.855) 7.907 2.238 ( 9.754 7.833 5.997) 13.872 2.420 ( 12.841 1.620 13.605) 18.778 2.481 ( -0.378 1.488 9.064) 9.193 2.546 ( -3.844 -1.581 5.218) 6.671 2.730 ( -0.649 0.604 -3.886) 3.986 2.758 ( 1.737 1.675 -0.314) 2.433 2.806 ( 0.299 1.391 -3.177) 3.481 2.864 ( 3.262 0.040 0.291) 3.275 2.949 ( 1.628 0.456 -0.727) 1.840 3.015 ( 2.267 1.799 -0.319) 2.912 3.078 ( -4.082 0.038 -2.992) 5.062 3.116 ( -2.015 -3.350 1.310) 4.123 3.247 ( -4.913 4.464 -2.783) 7.198 3.412 ( -2.054 2.446 -2.823) 4.263 3.470 ( -1.677 -2.306 -3.515) 4.526 3.621 ( -0.627 4.740 -0.171) 4.784 3.698 ( 2.315 -1.942 -3.166) 4.376 3.737 ( 1.578 0.214 3.548) 3.889 3.820 ( -1.000 -1.504 1.565) 2.390 3.853 ( -2.105 -0.239 0.201) 2.129 3.928 ( 1.693 -3.555 3.217) 5.085 4.089 ( -0.731 -4.015 -1.338) 4.294 4.144 ( -0.442 5.879 4.264) 7.276 4.291 ( 1.473 2.241 -2.248) 3.499 4.419 ( -2.009 0.122 -3.431) 3.978 4.450 ( 1.326 -1.175 -2.983) 3.469 4.626 ( 0.701 -3.570 3.084) 4.770 4.737 ( 1.126 -5.316 0.010) 5.434 5.553 ( 1.759 2.333 0.284) 2.935 5.754 ( -0.063 -3.110 0.077) 3.112 5.793 ( 0.021 0.807 1.361) 1.582 5.830 ( 2.544 0.991 1.271) 3.012 5.895 ( -0.120 -0.480 0.636) 0.806 5.925 ( 1.310 -1.886 -0.897) 2.465 6.031 ( 1.704 1.175 -1.269) 2.428 6.061 ( -0.099 3.274 -2.086) 3.883 6.134 ( -4.333 -0.199 2.675) 5.096 6.313 ( -1.446 -1.877 -0.104) 2.372 6.401 ( -3.637 1.745 2.042) 4.521 6.587 ( -1.701 -4.122 1.077) 4.587 6.695 ( -2.248 1.294 -0.100) 2.596 6.795 ( -0.714 -0.665 0.764) 1.239 7.041 ( -1.666 0.468 -1.203) 2.108 7.207 ( 1.583 -3.934 -1.867) 4.633 7.592 ( -0.366 1.778 -2.044) 2.734 7.654 ( 0.586 -1.641 0.864) 1.945 7.681 ( -0.231 0.822 -1.289) 1.546 7.732 ( -0.610 -0.397 0.938) 1.187 7.753 ( -0.166 2.855 -0.316) 2.877 7.862 ( -0.599 -0.601 -1.489) 1.714 8.126 ( -1.299 1.734 -1.153) 2.454 8.299 ( -0.012 -2.206 0.361) 2.236 13.073 ( -6.208 1.222 0.256) 6.332 13.273 ( -5.980 -3.617 -1.888) 7.239 13.584 ( 1.039 6.689 2.715) 7.293 14.139 ( 2.286 -7.483 12.463) 14.716 15.666 ( -3.452 4.833 -0.108) 5.940 15.892 ( -5.155 -1.021 5.640) 7.709 16.334 ( 5.890 -0.506 -1.539) 6.109 16.450 ( 6.853 -2.669 5.838) 9.390 16.846 ( 1.514 4.711 1.185) 5.088 17.226 ( 0.720 -5.302 0.126) 5.352 18.316 ( 2.951 7.606 0.044) 8.158 18.822 ( 3.914 -5.467 0.985) 6.795 19.983 ( 0.887 1.254 -0.747) 1.708 20.069 ( 0.266 -0.747 -1.614) 1.798 20.278 ( 0.899 0.638 0.043) 1.104 20.359 ( 0.266 -1.188 0.248) 1.242 21.349 ( -0.548 0.162 0.538) 0.784 21.369 ( -1.617 0.193 0.569) 1.725 22.049 ( -1.432 2.614 -1.162) 3.199 22.368 ( -6.020 -5.396 1.297) 8.188 23.005 ( 0.788 1.263 -1.468) 2.091 23.102 ( 1.184 1.110 0.770) 1.796 23.134 ( -0.120 -1.598 0.960) 1.868 23.234 ( 0.787 -1.920 -2.169) 3.001 45.577 ( -0.532 2.191 -0.074) 2.256 45.699 ( -0.349 -0.904 -0.186) 0.987 46.551 ( -1.756 -2.039 1.578) 3.119 46.651 ( -3.704 -2.091 0.970) 4.363 46.802 ( 1.674 2.302 -1.225) 3.099 46.909 ( -0.493 2.009 -2.355) 3.134 47.597 ( 1.830 1.400 0.351) 2.331 47.749 ( 2.373 -2.135 1.318) 3.453 95.641 ( -0.518 1.065 -2.384) 2.662 95.755 ( 1.238 -2.223 0.120) 2.547 95.928 ( 0.828 0.257 -0.516) 1.009 95.938 ( 2.484 -0.202 -1.486) 2.902 96.081 ( -0.554 3.972 -0.658) 4.064 96.164 ( 0.123 1.878 1.446) 2.373 96.359 ( 2.837 -1.502 2.711) 4.202 96.601 ( -5.013 -7.367 -0.819) 8.948 98.436 ( 0.152 2.933 -0.134) 2.940 98.682 ( 2.136 -2.965 1.681) 4.022 99.274 ( -0.680 2.833 3.065) 4.229 99.426 ( -6.218 -1.291 1.806) 6.603 104.726 ( -0.404 0.069 0.502) 0.648 104.741 ( -0.223 0.158 -0.019) 0.274 104.822 ( 0.531 1.902 -0.417) 2.019 104.938 ( -0.899 -1.070 -2.634) 2.982 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.922 0.445 5.314) 5.411 1.180 ( 0.824 -0.627 0.307) 1.080 1.213 ( 1.623 2.852 0.469) 3.315 1.419 ( -2.035 -0.498 1.175) 2.402 1.487 ( 0.397 3.667 -1.511) 3.986 1.614 ( -5.005 -0.913 -6.430) 8.199 1.759 ( -0.479 -5.221 -4.594) 6.971 1.844 ( 0.215 -2.885 -0.987) 3.056 2.431 ( 4.040 0.754 5.349) 6.746 2.537 ( 2.359 2.455 3.820) 5.117 2.567 ( -2.294 -2.947 3.344) 5.013 2.672 ( -0.223 -0.491 0.037) 0.541 2.706 ( -0.000 1.417 -3.061) 3.373 2.766 ( 2.120 0.284 2.172) 3.048 2.826 ( -1.026 1.589 -4.682) 5.050 2.885 ( 3.675 4.003 4.539) 7.081 2.963 ( 1.393 -0.733 -0.286) 1.600 3.004 ( 0.652 1.102 -1.250) 1.790 3.079 ( 3.414 1.303 1.896) 4.117 3.139 ( -0.283 -3.565 3.165) 4.776 3.167 ( -2.042 3.341 -0.692) 3.976 3.370 ( -1.502 2.388 0.889) 2.958 3.402 ( -0.830 -1.426 -2.811) 3.259 3.615 ( 0.035 5.826 -0.073) 5.826 3.692 ( 2.361 -3.915 -1.907) 4.953 3.811 ( -0.864 -1.147 2.170) 2.602 3.827 ( -0.816 -0.228 1.466) 1.693 3.851 ( 1.227 1.107 2.190) 2.744 3.988 ( 1.161 -3.484 1.723) 4.056 4.049 ( -0.816 -3.058 -2.279) 3.900 4.178 ( 0.218 5.844 0.435) 5.864 4.284 ( -1.435 4.697 -1.348) 5.093 4.319 ( -1.090 -0.866 -3.145) 3.440 4.444 ( 1.633 -1.465 -1.342) 2.572 4.674 ( 0.442 -4.611 2.118) 5.094 4.768 ( 1.266 -5.690 1.132) 5.938 5.587 ( 1.449 2.281 0.728) 2.798 5.757 ( 0.036 -2.352 0.318) 2.373 5.827 ( 1.316 1.620 1.791) 2.750 5.866 ( 1.337 -0.200 -0.681) 1.513 5.899 ( 0.338 -0.367 -0.414) 0.648 5.956 ( 1.427 0.363 2.270) 2.705 6.023 ( 0.130 -0.932 -1.133) 1.473 6.047 ( -0.108 1.774 -0.224) 1.791 6.105 ( -2.344 -0.676 0.773) 2.559 6.227 ( -5.496 -3.078 -2.398) 6.741 6.409 ( 0.173 2.744 1.078) 2.953 6.582 ( -0.908 -3.160 0.652) 3.352 6.677 ( -0.387 2.103 0.343) 2.166 6.800 ( -0.872 -0.881 1.870) 2.244 6.983 ( -2.056 1.360 -2.526) 3.530 7.203 ( 1.068 -5.068 -1.460) 5.381 7.566 ( -0.107 2.124 -1.054) 2.373 7.659 ( 0.139 1.585 -0.916) 1.836 7.676 ( -0.419 -1.514 1.122) 1.930 7.745 ( 0.410 -0.085 1.188) 1.260 7.750 ( 0.355 1.381 -0.512) 1.515 7.839 ( -0.196 -0.923 -0.980) 1.360 8.082 ( -1.766 2.767 -1.249) 3.512 8.299 ( -0.169 -2.483 -0.030) 2.489 13.010 ( -3.428 -0.265 0.980) 3.575 13.176 ( -3.315 -6.438 -1.606) 7.418 13.640 ( 1.302 12.415 2.102) 12.659 14.316 ( 2.045 -6.733 7.139) 10.024 15.625 ( -1.681 4.870 -0.171) 5.155 15.897 ( -2.695 -2.217 3.293) 4.798 16.407 ( 4.087 0.187 0.364) 4.108 16.603 ( 3.846 -3.644 3.814) 6.528 16.886 ( 1.406 4.617 0.991) 4.927 17.239 ( 0.758 -5.101 0.083) 5.158 18.358 ( 1.945 7.727 0.486) 7.983 18.881 ( 2.126 -5.787 0.751) 6.210 19.981 ( 0.355 0.997 -0.701) 1.269 20.048 ( -0.250 -0.672 -1.150) 1.355 20.289 ( 0.478 0.886 0.042) 1.007 20.366 ( 0.292 -0.981 0.053) 1.025 21.347 ( -0.326 -0.005 0.417) 0.529 21.358 ( -0.717 0.181 0.261) 0.784 22.000 ( -1.701 3.255 -1.870) 4.122 22.300 ( -3.652 -4.084 -0.079) 5.479 22.998 ( 0.214 1.716 -0.553) 1.816 23.124 ( 0.982 0.714 0.058) 1.215 23.143 ( -0.557 -1.845 0.999) 2.171 23.212 ( 0.079 -1.415 -1.507) 2.068 45.570 ( -0.324 2.109 -0.059) 2.134 45.692 ( -0.246 -0.870 -0.108) 0.911 46.553 ( -0.754 -3.240 1.370) 3.597 46.611 ( -2.666 -3.433 0.136) 4.349 46.804 ( 1.037 3.533 -0.795) 3.767 46.866 ( -0.859 3.339 -2.173) 4.075 47.625 ( 1.143 1.514 0.254) 1.914 47.796 ( 1.520 -2.455 0.908) 3.027 95.604 ( -0.580 1.216 -1.452) 1.981 95.755 ( 0.092 -3.795 -0.855) 3.891 95.924 ( 0.422 1.254 -0.863) 1.580 95.971 ( 1.862 0.007 0.554) 1.943 96.059 ( -0.889 4.495 -0.764) 4.645 96.183 ( 0.253 2.469 0.770) 2.598 96.429 ( 1.752 -2.562 1.977) 3.680 96.517 ( -3.457 -4.886 -1.329) 6.131 98.438 ( 0.132 3.710 0.019) 3.712 98.731 ( 1.505 -3.482 1.155) 3.965 99.308 ( -0.261 0.979 2.294) 2.508 99.372 ( -3.066 -0.621 0.507) 3.169 104.727 ( -0.325 0.087 0.338) 0.476 104.738 ( -0.104 0.000 -0.013) 0.105 104.825 ( 0.399 1.133 -0.177) 1.215 104.899 ( -0.334 -0.732 -1.487) 1.691 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.356 0.512 0.088) 0.630 1.153 ( 0.356 1.137 -0.088) 1.195 1.221 ( 0.000 1.706 0.000) 1.706 1.453 ( -0.000 -3.369 -0.000) 3.369 1.456 ( 0.000 0.485 0.000) 0.485 1.557 ( 0.000 1.794 0.000) 1.794 1.724 ( 0.000 -2.013 0.000) 2.013 1.832 ( 0.000 -2.178 0.000) 2.178 2.519 ( 0.000 -3.085 0.000) 3.085 2.539 ( 0.000 -3.364 -0.000) 3.364 2.594 ( 0.000 1.325 0.000) 1.325 2.667 ( 0.000 0.154 0.000) 0.154 2.712 ( 0.000 3.983 0.000) 3.983 2.736 ( 0.000 0.858 0.000) 0.858 2.805 ( 0.000 1.706 0.000) 1.706 2.912 ( 0.000 6.366 0.000) 6.366 2.972 ( 0.000 -0.591 0.000) 0.591 3.027 ( 0.000 -1.199 0.000) 1.199 3.130 ( 0.000 0.636 0.000) 0.636 3.150 ( 0.000 3.890 0.000) 3.890 3.169 ( 0.000 -5.508 0.000) 5.508 3.365 ( 0.000 -1.841 0.000) 1.841 3.387 ( 0.000 3.290 0.000) 3.290 3.615 ( 0.000 6.515 0.000) 6.515 3.707 ( 0.000 -6.417 0.000) 6.417 3.792 ( 0.000 1.558 0.000) 1.558 3.864 ( 0.000 -1.341 -0.000) 1.341 3.869 ( 0.000 1.480 0.000) 1.480 4.013 ( 0.000 -2.739 -0.000) 2.739 4.017 ( 0.000 -2.538 0.000) 2.538 4.179 ( 0.000 4.882 -0.000) 4.882 4.229 ( -0.000 4.942 0.000) 4.942 4.313 ( 0.000 -0.366 0.000) 0.366 4.451 ( 0.000 -0.773 0.000) 0.773 4.693 ( 0.000 -4.981 0.000) 4.981 4.788 ( 0.000 -5.810 0.000) 5.810 5.605 ( 0.000 2.373 0.000) 2.373 5.760 ( 0.000 -1.804 0.000) 1.804 5.864 ( 0.000 3.177 0.000) 3.177 5.866 ( 0.000 -0.697 -0.000) 0.697 5.900 ( 0.000 -1.474 0.000) 1.474 5.963 ( 0.000 0.932 -0.000) 0.932 6.040 ( 0.000 1.066 0.000) 1.066 6.047 ( 0.000 -1.036 -0.000) 1.036 6.110 ( -0.000 -2.926 0.000) 2.926 6.130 ( 0.000 -1.687 0.000) 1.687 6.419 ( 0.000 2.532 0.000) 2.532 6.578 ( 0.000 -2.308 0.000) 2.308 6.680 ( 0.000 1.888 0.000) 1.888 6.814 ( 0.000 -2.034 0.000) 2.034 6.939 ( 0.000 2.568 0.000) 2.568 7.200 ( 0.000 -5.423 0.000) 5.423 7.558 ( 0.000 2.100 0.000) 2.100 7.654 ( 0.000 3.017 0.000) 3.017 7.680 ( 0.000 -2.144 0.000) 2.144 7.749 ( 0.000 0.759 0.000) 0.759 7.763 ( 0.000 0.080 0.000) 0.080 7.828 ( 0.000 -1.575 0.000) 1.575 8.057 ( 0.000 3.484 -0.000) 3.484 8.297 ( 0.000 -2.598 0.000) 2.598 12.993 ( 0.000 -0.669 0.000) 0.669 13.138 ( 0.000 -7.504 0.000) 7.504 13.667 ( 0.000 14.381 0.000) 14.381 14.384 ( 0.000 -6.504 0.000) 6.504 15.611 ( 0.000 4.823 0.000) 4.823 15.901 ( 0.000 -2.723 0.000) 2.723 16.444 ( 0.000 0.287 0.000) 0.287 16.660 ( 0.000 -4.004 0.000) 4.004 16.906 ( 0.000 4.604 0.000) 4.604 17.246 ( 0.000 -4.930 0.000) 4.930 18.378 ( 0.000 7.752 0.000) 7.752 18.903 ( 0.000 -5.828 0.000) 5.828 19.978 ( 0.000 0.853 0.000) 0.853 20.036 ( 0.000 -0.645 0.000) 0.645 20.293 ( 0.000 0.978 0.000) 0.978 20.368 ( 0.000 -0.901 0.000) 0.901 21.350 ( 0.000 0.080 0.000) 0.080 21.353 ( 0.000 -0.092 0.000) 0.092 21.969 ( 0.000 3.624 0.000) 3.624 22.271 ( 0.000 -3.766 0.000) 3.766 22.995 ( 0.000 1.756 0.000) 1.756 23.132 ( 0.000 0.521 -0.000) 0.521 23.146 ( 0.000 -1.978 0.000) 1.978 23.201 ( 0.000 -1.147 -0.000) 1.147 45.567 ( 0.000 2.110 0.000) 2.110 45.689 ( 0.000 -0.855 0.000) 0.855 46.563 ( 0.000 -3.313 0.000) 3.313 46.584 ( 0.000 -4.347 0.000) 4.347 46.813 ( 0.000 3.782 0.000) 3.782 46.835 ( 0.000 4.083 0.000) 4.083 47.635 ( 0.000 1.569 0.000) 1.569 47.814 ( 0.000 -2.580 0.000) 2.580 95.589 ( 0.000 1.238 0.000) 1.238 95.748 ( 0.000 -4.179 0.000) 4.179 95.920 ( 0.000 1.926 0.000) 1.926 95.993 ( 0.000 -1.153 0.000) 1.153 96.043 ( 0.000 5.374 0.000) 5.374 96.191 ( 0.000 2.555 0.000) 2.555 96.459 ( 0.000 -2.783 -0.000) 2.783 96.478 ( 0.000 -4.313 0.000) 4.313 98.439 ( 0.000 4.028 0.000) 4.028 98.752 ( 0.000 -3.683 0.000) 3.683 99.323 ( 0.000 0.410 0.000) 0.410 99.352 ( 0.000 -0.328 0.000) 0.328 104.727 ( 0.000 0.121 0.000) 0.121 104.738 ( 0.000 -0.098 0.000) 0.098 104.827 ( 0.000 0.925 0.000) 0.925 104.886 ( 0.000 -0.585 0.000) 0.585 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 13.094 0.000) 13.094 0.715 ( 0.000 17.205 0.000) 17.205 0.771 ( 0.000 -7.355 0.000) 7.355 0.983 ( 0.000 -9.883 0.000) 9.883 1.397 ( 0.000 21.503 0.000) 21.503 1.443 ( 0.000 -0.026 0.000) 0.026 1.538 ( 0.000 3.139 0.000) 3.139 1.969 ( 0.000 -23.359 0.000) 23.359 2.321 ( 0.000 0.976 0.000) 0.976 2.329 ( 0.000 -0.609 0.000) 0.609 2.516 ( 0.000 2.625 0.000) 2.625 2.571 ( 0.000 -3.753 0.000) 3.753 2.699 ( 0.000 2.135 0.000) 2.135 2.761 ( 0.000 -4.636 0.000) 4.636 2.892 ( 0.000 2.843 0.000) 2.843 2.946 ( 0.000 -2.704 0.000) 2.704 2.989 ( 0.000 1.971 0.000) 1.971 3.016 ( 0.000 -1.003 0.000) 1.003 3.028 ( 0.000 3.099 0.000) 3.099 3.082 ( 0.000 -2.549 0.000) 2.549 3.538 ( 0.000 1.143 0.000) 1.143 3.554 ( 0.000 -0.974 0.000) 0.974 3.621 ( 0.000 3.141 0.000) 3.141 3.691 ( 0.000 -2.433 0.000) 2.433 3.707 ( 0.000 0.456 0.000) 0.456 3.747 ( 0.000 -2.394 0.000) 2.394 3.916 ( 0.000 0.802 0.000) 0.802 3.926 ( 0.000 -0.006 0.000) 0.006 4.037 ( 0.000 3.829 0.000) 3.829 4.088 ( 0.000 -1.143 0.000) 1.143 4.123 ( 0.000 5.490 0.000) 5.490 4.237 ( 0.000 -5.788 0.000) 5.788 4.451 ( 0.000 6.836 0.000) 6.836 4.595 ( 0.000 -7.878 0.000) 7.878 4.779 ( 0.000 5.712 0.000) 5.712 4.887 ( 0.000 -5.254 0.000) 5.254 5.621 ( 0.000 3.992 0.000) 3.992 5.697 ( 0.000 -3.900 0.000) 3.900 5.789 ( 0.000 0.696 0.000) 0.696 5.803 ( 0.000 -0.755 0.000) 0.755 5.863 ( 0.000 0.519 0.000) 0.519 5.879 ( 0.000 -1.008 0.000) 1.008 6.047 ( 0.000 2.424 0.000) 2.424 6.085 ( 0.000 -1.700 0.000) 1.700 6.188 ( 0.000 0.693 0.000) 0.693 6.202 ( 0.000 -0.694 0.000) 0.694 6.333 ( 0.000 4.644 0.000) 4.644 6.423 ( 0.000 -4.741 0.000) 4.741 6.740 ( 0.000 1.185 0.000) 1.185 6.771 ( 0.000 -2.087 0.000) 2.087 7.060 ( 0.000 5.555 0.000) 5.555 7.164 ( 0.000 -5.489 0.000) 5.489 7.624 ( 0.000 0.688 0.000) 0.688 7.640 ( 0.000 -0.873 0.000) 0.873 7.769 ( 0.000 0.382 0.000) 0.382 7.770 ( 0.000 0.182 0.000) 0.182 7.828 ( 0.000 1.629 0.000) 1.629 7.857 ( 0.000 -1.420 0.000) 1.420 8.136 ( 0.000 3.989 0.000) 3.989 8.211 ( 0.000 -3.794 0.000) 3.794 13.311 ( 0.000 1.706 0.000) 1.706 13.362 ( 0.000 -3.729 0.000) 3.729 13.499 ( 0.000 7.337 0.000) 7.337 13.632 ( 0.000 -6.585 0.000) 6.585 15.813 ( 0.000 2.405 0.000) 2.405 15.874 ( 0.000 -3.678 0.000) 3.678 16.148 ( 0.000 6.758 0.000) 6.758 16.256 ( 0.000 -4.850 0.000) 4.850 16.916 ( 0.000 8.104 0.000) 8.104 17.073 ( 0.000 -8.419 0.000) 8.419 18.394 ( 0.000 9.252 0.000) 9.252 18.554 ( 0.000 -7.541 0.000) 7.541 19.974 ( 0.000 1.744 0.000) 1.744 20.012 ( 0.000 -2.334 0.000) 2.334 20.235 ( 0.000 3.343 0.000) 3.343 20.296 ( 0.000 -3.187 0.000) 3.187 21.345 ( 0.000 1.640 0.000) 1.640 21.378 ( 0.000 -1.863 0.000) 1.863 22.049 ( 0.000 0.315 0.000) 0.315 22.055 ( 0.000 -0.305 0.000) 0.305 22.963 ( 0.000 3.709 0.000) 3.709 23.034 ( 0.000 -3.655 0.000) 3.655 23.088 ( 0.000 3.917 0.000) 3.917 23.162 ( 0.000 -3.826 0.000) 3.826 45.684 ( 0.000 0.329 0.000) 0.329 45.694 ( 0.000 -0.697 0.000) 0.697 46.665 ( 0.000 3.427 0.000) 3.427 46.728 ( 0.000 -3.124 0.000) 3.124 46.775 ( 0.000 2.927 0.000) 2.927 46.830 ( 0.000 -2.765 0.000) 2.765 47.565 ( 0.000 2.208 0.000) 2.208 47.608 ( 0.000 -2.272 0.000) 2.272 95.618 ( 0.000 1.450 0.000) 1.450 95.648 ( 0.000 -1.769 0.000) 1.769 95.805 ( 0.000 2.238 0.000) 2.238 95.849 ( 0.000 -2.395 0.000) 2.395 96.065 ( 0.000 1.518 0.000) 1.518 96.091 ( 0.000 -1.226 0.000) 1.226 96.260 ( 0.000 2.475 0.000) 2.475 96.307 ( 0.000 -2.428 0.000) 2.428 98.490 ( 0.000 2.737 0.000) 2.737 98.541 ( 0.000 -2.678 0.000) 2.678 99.510 ( 0.000 1.391 0.000) 1.391 99.536 ( 0.000 -1.365 0.000) 1.365 104.736 ( 0.000 0.397 0.000) 0.397 104.743 ( 0.000 -0.385 0.000) 0.385 105.034 ( 0.000 0.119 0.000) 0.119 105.036 ( 0.000 -0.112 0.000) 0.112 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.047 10.926 11.453) 15.863 0.798 ( 3.076 2.880 7.934) 8.984 0.892 ( 6.007 5.818 6.865) 10.820 1.116 ( 8.045 -11.852 7.077) 15.978 1.447 ( 4.478 5.444 1.341) 7.176 1.535 ( 5.239 -5.577 1.275) 7.757 1.592 ( 6.967 21.188 8.025) 23.704 2.011 ( 3.412 -18.375 2.307) 18.830 2.282 ( -3.720 1.786 -2.151) 4.653 2.319 ( -2.307 -1.753 -1.486) 3.257 2.480 ( -2.324 1.902 -2.290) 3.777 2.542 ( -2.218 -4.522 -0.882) 5.114 2.698 ( 0.129 3.513 0.223) 3.522 2.758 ( -0.004 -2.789 -0.014) 2.789 2.860 ( 0.763 1.062 -2.987) 3.260 2.900 ( 0.550 -2.235 -4.264) 4.846 2.981 ( -1.613 2.433 0.023) 2.919 3.006 ( -0.053 -0.096 -0.646) 0.655 3.079 ( 0.993 1.644 2.598) 3.231 3.125 ( 0.329 -3.163 3.318) 4.596 3.531 ( 0.219 1.093 -1.800) 2.117 3.555 ( -0.431 -1.605 -0.508) 1.737 3.634 ( 1.622 2.619 -0.207) 3.087 3.670 ( 1.853 -0.733 -4.642) 5.052 3.704 ( 0.885 2.786 -0.378) 2.948 3.765 ( 0.781 -3.421 1.220) 3.715 3.867 ( -6.036 1.392 -0.450) 6.211 3.899 ( -7.336 -1.567 2.099) 7.789 3.959 ( -0.554 5.152 -7.364) 9.004 4.042 ( 0.510 -3.971 -5.835) 7.076 4.148 ( -2.550 6.577 5.866) 9.174 4.265 ( -1.317 -5.729 4.825) 7.605 4.437 ( -0.100 6.486 -2.174) 6.842 4.567 ( -1.238 -6.231 -2.487) 6.822 4.702 ( -6.281 1.713 -4.901) 8.148 4.716 ( -1.403 0.445 -7.982) 8.117 5.611 ( 0.385 4.110 -1.501) 4.392 5.690 ( 0.349 -4.147 -1.187) 4.327 5.788 ( -0.192 0.581 0.176) 0.637 5.800 ( -1.076 -0.679 1.081) 1.669 5.861 ( 0.895 1.006 -1.039) 1.700 5.886 ( 0.864 -1.320 -0.195) 1.590 6.058 ( -0.007 2.498 0.622) 2.574 6.097 ( 0.010 -1.675 0.927) 1.914 6.200 ( 1.817 3.679 0.280) 4.112 6.269 ( 1.898 -1.733 0.873) 2.714 6.400 ( -0.999 -1.395 6.302) 6.532 6.449 ( -1.620 -4.418 6.528) 8.047 6.738 ( 0.163 0.432 -0.101) 0.472 6.758 ( -0.721 -1.675 -0.781) 1.984 7.075 ( 0.713 4.480 0.797) 4.606 7.163 ( 0.184 -4.633 -0.527) 4.667 7.626 ( -0.100 0.796 0.247) 0.839 7.644 ( 0.546 -0.911 -0.271) 1.096 7.732 ( 0.084 0.877 -2.679) 2.820 7.745 ( -1.228 -0.562 -0.943) 1.647 7.846 ( -0.028 2.528 0.593) 2.597 7.886 ( 0.879 -1.878 0.396) 2.111 8.152 ( 0.826 3.370 1.183) 3.665 8.219 ( 0.301 -3.513 0.829) 3.622 13.385 ( 0.828 1.640 5.631) 5.923 13.403 ( -6.769 3.109 2.268) 7.787 13.503 ( 3.417 -2.922 7.459) 8.709 13.567 ( -5.663 -5.723 -1.296) 8.155 15.818 ( -2.774 3.326 3.374) 5.490 15.883 ( -4.094 -3.156 4.919) 7.136 16.161 ( 4.011 4.876 -1.478) 6.484 16.248 ( 1.826 -4.212 -2.514) 5.234 16.921 ( -0.062 8.101 0.712) 8.133 17.078 ( -0.331 -8.430 0.881) 8.482 18.410 ( 2.848 9.368 -1.084) 9.851 18.571 ( 2.703 -7.541 -0.371) 8.020 19.988 ( 1.224 2.152 0.329) 2.497 20.034 ( 1.626 -2.769 0.284) 3.224 20.251 ( 1.428 2.412 0.365) 2.827 20.302 ( 0.484 -2.829 0.260) 2.882 21.351 ( 0.020 1.486 0.648) 1.621 21.380 ( -0.436 -1.561 0.524) 1.703 22.082 ( 0.573 2.493 3.249) 4.136 22.157 ( 1.842 -6.323 7.956) 10.328 22.991 ( 3.020 2.623 -0.070) 4.001 23.048 ( 0.140 -3.045 1.529) 3.410 23.099 ( 2.273 3.564 -0.930) 4.329 23.169 ( 1.277 -3.718 -0.320) 3.944 45.664 ( -1.096 1.706 -0.859) 2.202 45.691 ( -0.155 -1.290 -0.407) 1.362 46.633 ( -4.412 2.489 0.712) 5.116 46.681 ( -4.009 -2.487 0.614) 4.757 46.803 ( 3.380 4.260 -0.327) 5.448 46.880 ( 3.423 -3.917 0.266) 5.209 47.575 ( 0.968 2.304 0.294) 2.517 47.620 ( 1.113 -2.398 0.439) 2.681 95.657 ( 2.379 1.650 1.854) 3.438 95.687 ( 1.570 -1.230 0.596) 2.082 95.864 ( 5.042 -1.261 -1.171) 5.328 95.869 ( 4.298 -1.803 -0.105) 4.662 96.082 ( -0.143 1.384 2.893) 3.210 96.105 ( -0.740 -1.041 2.905) 3.174 96.273 ( 0.912 3.451 0.858) 3.671 96.358 ( 1.331 -6.243 4.784) 7.977 98.490 ( 0.278 3.077 -0.188) 3.095 98.548 ( 0.655 -3.011 0.274) 3.094 99.447 ( -3.177 4.574 -3.147) 6.397 99.514 ( -6.961 -2.934 3.709) 8.416 104.734 ( -0.214 0.443 0.076) 0.498 104.743 ( -0.044 -0.421 -0.022) 0.424 104.970 ( -2.629 3.397 -3.038) 5.261 105.019 ( -1.321 -2.081 -2.077) 3.223 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.339 7.226 14.159) 15.900 0.960 ( 1.440 -3.709 9.502) 10.301 1.087 ( 7.437 12.492 4.909) 15.345 1.301 ( 4.922 -7.884 3.777) 10.032 1.552 ( 4.096 -2.250 3.023) 5.566 1.611 ( 3.667 -6.548 2.273) 7.842 1.961 ( 14.276 11.284 12.766) 22.229 2.058 ( -3.413 0.109 -6.751) 7.566 2.129 ( -5.527 1.316 -7.580) 9.473 2.230 ( 5.188 -5.956 0.175) 7.900 2.450 ( -4.045 1.772 4.822) 6.538 2.506 ( -4.630 -3.773 3.747) 7.051 2.741 ( 3.577 2.942 1.412) 4.842 2.771 ( 1.696 -0.194 0.387) 1.751 2.830 ( 1.170 -1.481 -4.207) 4.611 2.839 ( 0.133 -1.591 -4.878) 5.133 2.972 ( -0.299 2.985 1.102) 3.196 3.008 ( 0.849 -0.201 0.653) 1.090 3.101 ( -1.041 0.499 -0.088) 1.158 3.133 ( -2.268 -2.478 -0.300) 3.373 3.472 ( -2.585 2.194 -4.604) 5.718 3.507 ( -2.004 -1.751 -3.091) 4.079 3.592 ( -2.594 6.502 -5.978) 9.205 3.659 ( 1.566 -0.431 -0.805) 1.813 3.723 ( -1.786 3.351 0.027) 3.798 3.739 ( -4.220 0.972 0.371) 4.346 3.777 ( -3.329 -3.150 -0.000) 4.583 3.816 ( 0.672 -3.569 0.819) 3.723 3.904 ( 0.789 2.938 -2.394) 3.871 3.992 ( 1.363 -6.210 -2.520) 6.839 4.202 ( -1.906 6.852 6.326) 9.518 4.321 ( -0.778 -5.603 4.810) 7.425 4.394 ( 0.767 5.638 -3.855) 6.873 4.514 ( 0.327 -6.207 -3.862) 7.317 4.580 ( -1.952 3.692 -2.114) 4.681 4.648 ( -0.603 -4.220 -2.308) 4.847 5.599 ( 0.810 4.080 -1.085) 4.299 5.680 ( 0.392 -4.452 -0.788) 4.538 5.794 ( -0.583 0.742 1.654) 1.904 5.808 ( 0.360 -0.114 1.169) 1.229 5.866 ( 1.521 0.759 -0.926) 1.936 5.894 ( 1.183 -1.616 -0.976) 2.228 6.064 ( 0.433 2.474 -0.168) 2.517 6.102 ( -0.019 -1.482 -0.193) 1.494 6.206 ( -0.831 4.646 -0.565) 4.753 6.289 ( -0.520 -2.817 0.380) 2.889 6.433 ( -3.532 1.708 4.868) 6.253 6.503 ( -3.498 -5.058 5.000) 7.926 6.734 ( -0.847 0.198 -0.115) 0.877 6.753 ( 1.093 -1.737 0.165) 2.060 7.086 ( -0.096 2.921 -0.150) 2.927 7.152 ( -0.063 -3.754 -1.223) 3.949 7.627 ( -0.178 0.578 0.262) 0.659 7.640 ( 0.423 -0.471 -1.397) 1.533 7.711 ( 0.558 0.755 -1.398) 1.684 7.723 ( -0.628 -0.610 -0.196) 0.897 7.832 ( -1.017 2.892 -1.009) 3.227 7.875 ( -0.747 -1.772 -1.462) 2.416 8.178 ( 0.408 2.877 0.622) 2.971 8.237 ( 0.292 -3.227 0.798) 3.337 13.263 ( -9.060 4.974 -1.916) 10.511 13.352 ( -9.089 -3.796 -1.329) 9.939 13.585 ( 3.345 4.851 6.686) 8.912 13.727 ( 4.314 -9.711 12.487) 16.396 15.811 ( -4.708 4.756 3.058) 7.358 15.878 ( -5.643 -2.145 4.720) 7.663 16.244 ( 6.687 0.023 1.750) 6.912 16.262 ( 4.929 -1.736 -1.883) 5.554 16.935 ( 0.354 7.845 1.013) 7.918 17.087 ( -0.061 -8.134 0.834) 8.177 18.444 ( 3.534 10.010 -0.775) 10.644 18.620 ( 3.973 -8.470 0.008) 9.355 20.008 ( 1.219 2.271 -0.255) 2.590 20.052 ( 1.057 -2.181 -0.711) 2.526 20.277 ( 1.366 1.639 0.232) 2.146 20.315 ( 0.691 -2.259 0.315) 2.383 21.359 ( -0.423 1.019 0.661) 1.286 21.377 ( -1.050 -0.875 0.574) 1.482 22.127 ( -0.775 4.840 2.580) 5.539 22.250 ( -2.070 -8.481 4.818) 9.971 23.028 ( 1.662 2.004 -0.051) 2.604 23.072 ( -0.573 -2.362 2.201) 3.279 23.122 ( 3.018 2.954 -1.626) 4.525 23.185 ( 1.978 -3.485 -1.217) 4.188 45.640 ( -0.716 2.594 -0.545) 2.746 45.681 ( -0.290 -1.821 -0.414) 1.890 46.579 ( -4.282 2.110 1.268) 4.939 46.634 ( -4.414 -3.565 1.398) 5.843 46.847 ( 3.234 4.368 -0.866) 5.503 46.916 ( 2.299 -2.761 -1.177) 3.781 47.601 ( 1.677 2.541 0.575) 3.098 47.652 ( 1.907 -2.766 0.868) 3.470 95.694 ( 0.533 0.883 -1.399) 1.738 95.706 ( 1.487 -0.337 0.351) 1.564 95.901 ( 3.190 0.192 -0.994) 3.347 95.918 ( 3.675 -1.536 -2.508) 4.707 96.134 ( -0.400 1.927 4.137) 4.581 96.151 ( 0.661 0.058 3.284) 3.350 96.306 ( 1.179 3.805 1.280) 4.184 96.435 ( -0.015 -10.062 3.265) 10.579 98.496 ( 0.640 3.880 0.144) 3.936 98.570 ( 1.276 -3.858 0.824) 4.146 99.368 ( -4.002 5.343 0.199) 6.678 99.450 ( -6.647 -3.490 2.211) 7.826 104.732 ( -0.271 0.480 0.190) 0.583 104.741 ( -0.089 -0.420 -0.027) 0.430 104.901 ( -1.366 3.793 -2.198) 4.592 104.960 ( -1.451 -2.573 -2.679) 3.987 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.507 3.172 10.650) 11.124 1.095 ( 0.917 -2.463 6.628) 7.130 1.234 ( 4.789 9.531 2.677) 10.997 1.382 ( 1.509 -3.802 1.469) 4.346 1.627 ( 1.601 -1.347 1.425) 2.531 1.694 ( 1.855 -6.268 2.697) 7.071 1.794 ( -6.655 0.695 -13.180) 14.781 1.825 ( -7.119 -2.224 -10.846) 13.163 2.376 ( 7.719 6.481 5.632) 11.546 2.441 ( 7.482 -0.124 7.959) 10.924 2.498 ( 1.288 0.193 9.196) 9.287 2.512 ( -2.317 -1.809 6.364) 7.010 2.740 ( 1.028 0.948 -4.633) 4.839 2.767 ( 0.324 -1.276 -4.319) 4.515 2.834 ( 4.039 1.950 1.637) 4.774 2.862 ( 3.790 -0.645 1.315) 4.063 2.981 ( -0.735 2.772 0.035) 2.869 3.042 ( -1.669 -3.623 0.304) 4.000 3.049 ( 0.661 1.812 -0.931) 2.142 3.077 ( -2.088 -1.002 -1.277) 2.645 3.351 ( -4.757 5.551 -2.968) 7.890 3.425 ( -2.697 -2.814 -2.977) 4.904 3.484 ( -1.827 5.766 -3.358) 6.918 3.613 ( -1.434 -6.777 -3.206) 7.633 3.704 ( -0.475 2.987 1.150) 3.236 3.733 ( -0.188 -0.646 3.201) 3.271 3.803 ( 1.074 1.175 1.847) 2.439 3.854 ( 1.378 -2.822 1.361) 3.422 3.900 ( 1.802 3.183 -0.809) 3.746 3.991 ( 1.154 -5.791 -1.234) 6.032 4.262 ( -0.940 5.914 4.391) 7.426 4.348 ( 0.445 -0.063 -3.168) 3.200 4.373 ( 0.809 0.866 1.425) 1.854 4.457 ( -0.236 -1.830 -4.089) 4.486 4.563 ( -0.092 -0.842 0.942) 1.267 4.624 ( -0.201 -5.804 -0.153) 5.810 5.610 ( 1.419 3.685 0.193) 3.954 5.683 ( 0.733 -4.132 0.114) 4.199 5.819 ( 0.251 1.895 2.226) 2.934 5.847 ( 1.906 -0.014 1.603) 2.491 5.876 ( 0.609 -0.553 0.152) 0.837 5.894 ( 1.012 -1.562 -1.073) 2.148 6.062 ( 0.883 1.937 -1.717) 2.735 6.090 ( 0.362 -0.679 -1.816) 1.973 6.168 ( -4.226 4.225 0.674) 6.014 6.254 ( -3.681 -4.367 -0.954) 5.790 6.446 ( -2.232 2.932 3.291) 4.941 6.509 ( -1.923 -3.938 2.417) 5.005 6.725 ( -0.624 2.083 0.276) 2.192 6.768 ( -0.132 -2.212 0.695) 2.322 7.067 ( -1.029 2.457 -1.338) 2.981 7.129 ( -0.217 -4.077 -1.586) 4.380 7.619 ( 0.221 0.977 -1.600) 1.888 7.633 ( 0.374 -0.765 -0.167) 0.867 7.701 ( -0.310 1.188 0.073) 1.230 7.720 ( -0.293 -0.823 0.722) 1.133 7.802 ( -0.417 2.430 -1.453) 2.862 7.841 ( -0.574 -1.663 -1.594) 2.374 8.176 ( -0.753 3.432 -0.506) 3.550 8.243 ( -0.262 -3.604 0.039) 3.614 13.114 ( -7.360 3.336 -1.214) 8.171 13.192 ( -7.840 -4.739 -2.187) 9.419 13.750 ( 4.237 10.743 7.290) 13.657 13.959 ( 4.329 -11.242 10.693) 16.108 15.770 ( -3.884 5.706 0.919) 6.963 15.855 ( -4.617 -3.210 3.084) 6.413 16.340 ( 5.703 1.464 1.109) 5.991 16.389 ( 6.226 -3.468 4.042) 8.193 16.961 ( 1.063 7.278 1.141) 7.443 17.102 ( 0.604 -7.605 0.724) 7.663 18.491 ( 3.288 10.599 0.061) 11.097 18.682 ( 3.588 -9.418 0.474) 10.090 20.014 ( 0.555 1.883 -0.860) 2.143 20.047 ( 0.256 -1.586 -1.218) 2.016 20.298 ( 1.026 1.493 0.148) 1.817 20.330 ( 0.708 -1.836 0.197) 1.978 21.356 ( -0.749 0.612 0.353) 1.030 21.367 ( -1.066 -0.406 0.335) 1.188 22.124 ( -2.123 5.488 0.300) 5.892 22.245 ( -3.648 -7.193 1.293) 8.168 23.041 ( 0.333 2.535 0.011) 2.556 23.090 ( -0.774 -2.565 1.742) 3.196 23.138 ( 2.047 2.307 -1.445) 3.406 23.188 ( 1.203 -2.835 -1.706) 3.521 45.626 ( -0.404 2.772 -0.295) 2.817 45.672 ( -0.249 -2.022 -0.314) 2.061 46.541 ( -3.320 1.086 1.311) 3.731 46.587 ( -4.095 -3.588 1.010) 5.538 46.869 ( 1.986 3.785 -1.406) 4.500 46.918 ( 1.122 -1.189 -1.919) 2.521 47.637 ( 1.785 2.878 0.690) 3.456 47.697 ( 2.036 -3.291 1.043) 4.008 95.669 ( -0.306 1.923 -2.029) 2.812 95.710 ( 0.202 -2.418 -1.272) 2.740 95.929 ( 1.982 0.063 -1.039) 2.239 95.933 ( 2.694 -0.304 -1.059) 2.911 96.173 ( -1.468 4.581 2.920) 5.627 96.201 ( 0.801 1.420 1.996) 2.578 96.341 ( 1.185 1.003 1.298) 2.023 96.442 ( -1.810 -8.667 0.119) 8.855 98.512 ( 0.812 4.963 0.516) 5.056 98.607 ( 1.535 -4.913 1.206) 5.286 99.334 ( -2.591 3.365 1.698) 4.574 99.390 ( -4.565 -2.532 1.395) 5.404 104.731 ( -0.252 0.412 0.220) 0.531 104.739 ( -0.133 -0.330 -0.055) 0.360 104.866 ( -0.353 2.560 -1.207) 2.852 104.909 ( -0.780 -2.030 -2.052) 2.990 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.349 0.973 3.803) 3.941 1.165 ( 0.156 -1.030 1.870) 2.140 1.293 ( 0.224 5.476 0.049) 5.480 1.387 ( -1.888 -3.676 0.395) 4.151 1.552 ( -2.210 2.999 -7.620) 8.481 1.602 ( -3.205 -1.543 -5.516) 6.564 1.688 ( 1.069 0.350 1.868) 2.180 1.763 ( 0.986 -5.350 1.530) 5.651 2.452 ( -0.496 1.862 3.088) 3.640 2.500 ( -1.675 -3.165 2.203) 4.205 2.595 ( 2.639 2.623 0.435) 3.746 2.641 ( 1.355 -2.346 -0.635) 2.783 2.751 ( 1.194 2.527 1.368) 3.111 2.774 ( 1.889 -0.013 1.584) 2.465 2.866 ( -0.126 2.850 -2.364) 3.705 2.915 ( 2.894 -1.513 1.829) 3.743 2.971 ( 1.804 2.388 -0.043) 2.993 3.029 ( 1.566 -2.197 0.035) 2.699 3.062 ( -0.293 0.909 1.524) 1.799 3.095 ( 1.155 -1.081 1.724) 2.339 3.269 ( -2.750 5.959 -0.805) 6.612 3.353 ( -2.774 -3.078 -1.247) 4.327 3.448 ( 0.622 5.273 -0.537) 5.336 3.575 ( 0.564 -7.688 -1.432) 7.841 3.721 ( 0.335 4.848 1.205) 5.007 3.784 ( 0.261 -2.189 3.170) 3.861 3.843 ( -0.072 2.071 1.375) 2.487 3.875 ( 1.037 0.375 0.096) 1.107 3.938 ( 1.781 -0.763 1.379) 2.378 3.982 ( 0.472 -3.883 -1.354) 4.140 4.273 ( -0.613 3.356 -1.141) 3.597 4.302 ( -0.010 -0.487 -3.319) 3.355 4.386 ( -0.873 5.105 -0.142) 5.181 4.434 ( 1.087 0.663 0.954) 1.592 4.581 ( 0.306 -3.512 0.788) 3.612 4.636 ( 0.487 -7.441 1.150) 7.545 5.641 ( 1.444 3.309 0.738) 3.685 5.703 ( 0.934 -3.301 0.626) 3.487 5.854 ( 0.542 1.339 0.694) 1.603 5.879 ( -0.194 -1.374 -0.492) 1.472 5.885 ( 1.708 2.161 1.391) 3.086 5.934 ( 2.343 -2.675 3.222) 4.798 6.037 ( 0.075 2.146 -3.172) 3.830 6.068 ( 0.739 -0.553 -2.399) 2.570 6.107 ( -4.658 1.944 0.861) 5.120 6.164 ( -5.182 -3.589 -1.608) 6.506 6.462 ( -0.159 2.971 1.429) 3.301 6.520 ( -0.209 -3.324 1.273) 3.565 6.721 ( -0.479 2.664 0.327) 2.726 6.770 ( -0.816 -2.351 0.728) 2.593 7.026 ( -1.227 3.343 -1.572) 3.892 7.105 ( -0.195 -5.066 -1.217) 5.213 7.602 ( 0.208 1.808 -1.023) 2.088 7.636 ( 0.393 -1.866 -0.228) 1.920 7.708 ( -0.273 2.284 1.352) 2.668 7.737 ( 0.314 -0.880 1.559) 1.817 7.777 ( -0.066 1.640 -1.692) 2.357 7.812 ( -0.462 -1.925 -1.609) 2.551 8.152 ( -0.933 4.499 -0.644) 4.640 8.235 ( -0.404 -4.232 -0.250) 4.258 13.019 ( -3.890 1.541 -0.261) 4.192 13.073 ( -4.275 -4.346 -1.432) 6.262 13.893 ( 2.867 14.129 4.616) 15.138 14.139 ( 2.922 -11.965 6.360) 13.862 15.733 ( -1.939 6.186 0.203) 6.486 15.835 ( -2.296 -4.516 1.473) 5.276 16.436 ( 3.491 3.132 1.767) 5.012 16.517 ( 3.472 -5.141 3.053) 6.914 16.994 ( 1.164 6.704 0.930) 6.867 17.123 ( 0.830 -6.979 0.573) 7.052 18.537 ( 2.089 10.843 0.438) 11.052 18.733 ( 2.125 -9.798 0.562) 10.042 20.005 ( 0.037 1.417 -0.808) 1.632 20.030 ( -0.218 -1.223 -0.989) 1.588 20.312 ( 0.591 1.506 0.087) 1.620 20.341 ( 0.496 -1.573 0.080) 1.651 21.351 ( -0.404 0.342 0.227) 0.576 21.357 ( -0.594 -0.246 0.076) 0.647 22.085 ( -1.992 5.765 -0.845) 6.157 22.200 ( -2.705 -6.286 -0.191) 6.846 23.042 ( -0.051 2.905 -0.082) 2.907 23.097 ( -0.496 -2.919 0.668) 3.036 23.145 ( 0.905 1.521 -0.603) 1.870 23.179 ( 0.419 -1.985 -1.052) 2.285 45.618 ( -0.206 2.825 -0.161) 2.837 45.665 ( -0.150 -2.054 -0.184) 2.068 46.519 ( -1.762 -0.241 0.958) 2.020 46.545 ( -2.662 -2.893 0.290) 3.942 46.872 ( 0.955 3.040 -0.991) 3.337 46.901 ( 0.160 0.181 -1.642) 1.660 47.669 ( 1.148 3.201 0.475) 3.433 47.736 ( 1.313 -3.755 0.718) 4.042 95.637 ( -0.504 2.318 -1.380) 2.744 95.689 ( -0.321 -3.250 -1.198) 3.479 95.941 ( 1.249 0.858 -0.636) 1.643 95.958 ( 1.651 -0.984 -0.273) 1.941 96.173 ( -1.579 6.520 0.839) 6.760 96.229 ( 0.046 1.376 1.035) 1.722 96.375 ( 0.493 -2.283 1.459) 2.754 96.408 ( -1.042 -5.671 -1.062) 5.863 98.531 ( 0.584 5.954 0.478) 6.002 98.643 ( 1.078 -5.793 0.906) 5.962 99.330 ( -1.162 1.381 1.398) 2.283 99.355 ( -2.209 -1.167 0.726) 2.602 104.731 ( -0.183 0.290 0.137) 0.369 104.736 ( -0.105 -0.239 -0.073) 0.271 104.852 ( 0.005 1.594 -0.518) 1.676 104.880 ( -0.244 -1.348 -1.051) 1.726 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.000 0.424 0.000) 0.424 1.166 ( 0.000 0.167 0.000) 0.167 1.283 ( 0.000 4.717 0.000) 4.717 1.376 ( 0.000 -4.915 0.000) 4.915 1.484 ( 0.000 2.744 0.000) 2.744 1.546 ( 0.000 -3.061 0.000) 3.061 1.721 ( 0.000 2.199 0.000) 2.199 1.779 ( 0.000 -3.351 0.000) 3.351 2.480 ( 0.000 -0.772 0.000) 0.772 2.491 ( 0.000 -1.768 -0.000) 1.768 2.617 ( 0.000 1.188 0.000) 1.188 2.644 ( 0.000 -1.781 0.000) 1.781 2.759 ( 0.000 1.123 0.000) 1.123 2.763 ( 0.000 1.006 0.000) 1.006 2.875 ( 0.000 5.150 0.000) 5.150 2.951 ( 0.000 -2.314 0.000) 2.314 3.016 ( 0.000 0.329 0.000) 0.329 3.024 ( -0.000 3.519 -0.000) 3.519 3.081 ( 0.000 -1.919 0.000) 1.919 3.119 ( 0.000 -1.949 0.000) 1.949 3.242 ( 0.000 5.191 0.000) 5.191 3.320 ( 0.000 -3.171 0.000) 3.171 3.459 ( 0.000 4.734 0.000) 4.734 3.574 ( 0.000 -7.342 0.000) 7.342 3.735 ( 0.000 5.782 0.000) 5.782 3.814 ( 0.000 -2.063 -0.000) 2.063 3.846 ( 0.000 1.823 0.000) 1.823 3.880 ( 0.000 -0.522 0.000) 0.522 3.971 ( 0.000 -1.521 -0.000) 1.521 3.973 ( 0.000 -1.815 0.000) 1.815 4.254 ( 0.000 2.235 0.000) 2.235 4.269 ( 0.000 -0.133 0.000) 0.133 4.380 ( 0.000 6.722 0.000) 6.722 4.456 ( 0.000 0.700 0.000) 0.700 4.589 ( 0.000 -3.985 0.000) 3.985 4.652 ( 0.000 -7.881 0.000) 7.881 5.660 ( 0.000 3.272 0.000) 3.272 5.717 ( 0.000 -2.797 0.000) 2.797 5.859 ( 0.000 0.108 0.000) 0.108 5.871 ( 0.000 -1.192 0.000) 1.192 5.937 ( 0.000 4.144 0.000) 4.144 5.985 ( 0.000 1.072 0.000) 1.072 6.013 ( 0.000 -2.304 0.000) 2.304 6.034 ( 0.000 -2.458 0.000) 2.458 6.077 ( 0.000 0.555 0.000) 0.555 6.098 ( 0.000 -1.491 0.000) 1.491 6.473 ( 0.000 3.121 0.000) 3.121 6.529 ( 0.000 -2.888 0.000) 2.888 6.720 ( 0.000 2.393 0.000) 2.393 6.768 ( 0.000 -2.707 0.000) 2.707 7.002 ( 0.000 4.238 0.000) 4.238 7.094 ( 0.000 -5.591 0.000) 5.591 7.597 ( 0.000 2.117 0.000) 2.117 7.638 ( 0.000 -2.293 0.000) 2.293 7.721 ( 0.000 3.758 0.000) 3.758 7.758 ( 0.000 0.261 -0.000) 0.261 7.763 ( 0.000 -0.036 0.000) 0.036 7.786 ( 0.000 -2.893 0.000) 2.893 8.139 ( 0.000 5.028 0.000) 5.028 8.230 ( 0.000 -4.502 0.000) 4.502 12.989 ( 0.000 0.676 0.000) 0.676 13.030 ( 0.000 -3.979 0.000) 3.979 13.949 ( 0.000 15.308 0.000) 15.308 14.208 ( 0.000 -12.206 0.000) 12.206 15.720 ( 0.000 6.356 0.000) 6.356 15.828 ( 0.000 -5.046 0.000) 5.046 16.476 ( 0.000 3.491 0.000) 3.491 16.566 ( 0.000 -5.622 0.000) 5.622 17.011 ( 0.000 6.474 0.000) 6.474 17.135 ( 0.000 -6.664 0.000) 6.664 18.557 ( 0.000 10.877 0.000) 10.877 18.754 ( 0.000 -9.846 0.000) 9.846 19.998 ( 0.000 1.208 0.000) 1.208 20.020 ( 0.000 -1.085 0.000) 1.085 20.317 ( 0.000 1.527 0.000) 1.527 20.346 ( 0.000 -1.488 0.000) 1.488 21.351 ( 0.000 0.043 0.000) 0.043 21.352 ( -0.000 -0.049 -0.000) 0.049 22.061 ( 0.000 5.981 0.000) 5.981 22.176 ( 0.000 -6.090 0.000) 6.090 23.040 ( 0.000 2.963 0.000) 2.963 23.098 ( 0.000 -3.050 0.000) 3.050 23.148 ( 0.000 1.171 0.000) 1.171 23.174 ( 0.000 -1.585 -0.000) 1.585 45.615 ( 0.000 2.847 0.000) 2.847 45.662 ( 0.000 -2.052 0.000) 2.052 46.516 ( 0.000 -1.337 0.000) 1.337 46.522 ( 0.000 -2.006 0.000) 2.006 46.874 ( 0.000 2.314 0.000) 2.314 46.887 ( 0.000 1.113 0.000) 1.113 47.681 ( 0.000 3.335 0.000) 3.335 47.751 ( 0.000 -3.939 0.000) 3.939 95.622 ( 0.000 2.393 0.000) 2.393 95.676 ( 0.000 -3.430 0.000) 3.430 95.946 ( 0.000 1.212 0.000) 1.212 95.970 ( 0.000 -1.320 0.000) 1.320 96.165 ( 0.000 6.845 0.000) 6.845 96.235 ( 0.000 0.797 0.000) 0.797 96.386 ( 0.000 -3.897 -0.000) 3.897 96.396 ( -0.000 -3.429 0.000) 3.429 98.539 ( 0.000 6.354 0.000) 6.354 98.658 ( 0.000 -6.135 0.000) 6.135 99.333 ( 0.000 0.590 0.000) 0.590 99.343 ( 0.000 -0.539 0.000) 0.539 104.730 ( 0.000 0.238 0.000) 0.238 104.735 ( 0.000 -0.212 0.000) 0.212 104.849 ( 0.000 1.271 0.000) 1.271 104.871 ( 0.000 -1.074 0.000) 1.074 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 3.282 0.000 15.377) 15.723 0.487 ( 10.586 0.000 23.572) 25.840 0.880 ( -8.417 0.000 41.409) 42.255 1.016 ( -5.031 0.000 10.623) 11.755 1.373 ( 1.806 0.000 6.665) 6.906 1.538 ( -2.866 0.000 -1.906) 3.442 1.763 ( -2.520 0.000 4.033) 4.755 2.175 ( 2.891 0.000 -4.545) 5.386 2.228 ( 1.362 0.000 -3.851) 4.084 2.351 ( 4.350 0.000 0.301) 4.361 2.427 ( -5.753 0.000 -4.424) 7.258 2.659 ( -2.492 0.000 -0.699) 2.588 2.739 ( -1.983 0.000 -6.634) 6.924 2.753 ( -0.714 0.000 4.017) 4.080 2.884 ( 0.590 0.000 -3.812) 3.857 2.924 ( 1.199 0.000 -2.681) 2.937 2.948 ( 1.476 0.000 -2.941) 3.290 2.967 ( -4.343 0.000 -1.564) 4.616 3.084 ( -1.014 0.000 4.267) 4.386 3.314 ( 5.907 0.000 -5.422) 8.018 3.364 ( 1.658 0.000 -2.696) 3.165 3.488 ( 0.161 0.000 0.774) 0.790 3.584 ( 0.041 0.000 -1.716) 1.717 3.641 ( -1.935 0.000 1.580) 2.498 3.680 ( -0.647 0.000 2.402) 2.487 3.762 ( -0.883 0.000 -5.003) 5.080 3.868 ( 1.852 0.000 -0.169) 1.860 3.886 ( -2.847 0.000 0.737) 2.941 3.994 ( -1.384 0.000 1.754) 2.234 4.033 ( 0.689 0.000 4.466) 4.519 4.265 ( -1.383 0.000 -0.457) 1.457 4.287 ( -1.503 0.000 -2.027) 2.523 4.350 ( 5.816 0.000 -2.967) 6.529 4.385 ( 0.863 0.000 1.872) 2.062 4.720 ( -15.978 0.000 -2.612) 16.190 4.785 ( 2.474 0.000 -4.815) 5.414 5.529 ( -2.256 0.000 -0.466) 2.304 5.720 ( 1.529 0.000 -2.062) 2.567 5.797 ( -0.367 0.000 -0.031) 0.368 5.823 ( 1.207 0.000 0.353) 1.258 5.894 ( 1.806 0.000 0.965) 2.048 5.907 ( -2.671 0.000 -0.499) 2.717 6.046 ( -7.015 0.000 2.307) 7.385 6.076 ( 1.006 0.000 -2.011) 2.248 6.143 ( 1.807 0.000 2.837) 3.363 6.258 ( -2.737 0.000 2.475) 3.690 6.541 ( 21.723 0.000 0.886) 21.741 6.558 ( -1.525 0.000 2.786) 3.176 6.724 ( 0.621 0.000 0.324) 0.700 6.837 ( -1.515 0.000 0.208) 1.529 7.100 ( 2.881 0.000 -0.915) 3.023 7.191 ( 1.564 0.000 -3.145) 3.512 7.591 ( 2.450 0.000 -2.220) 3.306 7.667 ( -1.846 0.000 0.331) 1.876 7.718 ( -1.517 0.000 0.251) 1.537 7.819 ( -2.254 0.000 2.493) 3.361 7.834 ( -4.986 0.000 -1.819) 5.308 7.974 ( -2.297 0.000 -2.811) 3.630 8.088 ( -0.403 0.000 2.861) 2.890 8.292 ( 0.756 0.000 0.234) 0.791 13.242 ( 2.319 0.000 -5.114) 5.615 13.457 ( 0.143 0.000 -1.973) 1.978 13.774 ( -9.811 0.000 8.808) 13.185 13.996 ( 19.038 0.000 0.777) 19.054 15.885 ( -2.305 0.000 1.924) 3.003 15.898 ( 2.938 0.000 1.994) 3.551 16.360 ( -5.870 0.000 1.060) 5.965 16.568 ( -37.702 0.000 -1.194) 37.721 16.779 ( -2.830 0.000 2.992) 4.119 17.239 ( 2.141 0.000 -2.560) 3.337 18.374 ( -29.579 0.000 -0.027) 29.579 18.639 ( 3.998 0.000 -2.743) 4.848 19.938 ( 0.383 0.000 -0.121) 0.401 20.069 ( 1.067 0.000 -2.439) 2.662 20.204 ( 4.201 0.000 1.604) 4.497 20.359 ( -0.046 0.000 0.754) 0.755 21.328 ( -0.170 0.000 1.609) 1.618 21.429 ( 0.125 0.000 0.491) 0.507 22.088 ( -3.472 0.000 4.562) 5.733 22.567 ( 35.121 0.000 -1.165) 35.140 22.968 ( -18.272 0.000 -1.037) 18.302 22.970 ( 3.641 0.000 -2.406) 4.364 23.143 ( -1.599 0.000 2.730) 3.164 23.245 ( -0.425 0.000 0.325) 0.535 45.573 ( -0.707 0.000 0.995) 1.221 45.707 ( 0.876 0.000 -0.595) 1.059 46.605 ( -0.898 0.000 1.486) 1.737 46.703 ( 1.272 0.000 1.143) 1.710 46.707 ( -0.230 0.000 0.286) 0.366 46.973 ( 4.652 0.000 -1.770) 4.977 47.531 ( -1.095 0.000 1.106) 1.556 47.654 ( 1.053 0.000 -0.349) 1.109 95.598 ( 2.803 0.000 0.710) 2.891 95.681 ( -0.075 0.000 -1.556) 1.558 95.787 ( 7.120 0.000 0.802) 7.165 95.923 ( -0.891 0.000 0.865) 1.242 96.044 ( -1.280 0.000 2.025) 2.396 96.152 ( -0.892 0.000 2.734) 2.876 96.197 ( 1.317 0.000 1.233) 1.804 96.884 ( 6.666 0.000 -4.117) 7.835 98.439 ( -1.351 0.000 0.883) 1.614 98.590 ( 1.796 0.000 -0.734) 1.940 99.161 ( -0.925 0.000 4.340) 4.437 100.091 ( -19.102 0.000 -5.609) 19.908 104.731 ( -0.002 0.000 0.354) 0.354 104.747 ( 1.120 0.000 -0.167) 1.132 104.764 ( -1.258 0.000 0.527) 1.364 105.027 ( 2.730 0.000 -3.174) 4.186 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 9.625 0.000 13.176) 16.317 0.873 ( -2.678 0.000 24.496) 24.642 1.090 ( -3.631 0.000 10.358) 10.976 1.385 ( -2.973 0.000 0.532) 3.020 1.513 ( 14.762 0.000 31.361) 34.662 1.705 ( 12.372 0.000 10.353) 16.132 1.810 ( -0.261 0.000 5.484) 5.490 2.052 ( -5.671 0.000 -10.288) 11.748 2.147 ( -0.528 0.000 -9.335) 9.350 2.201 ( -8.123 0.000 -11.867) 14.381 2.445 ( 3.634 0.000 3.640) 5.143 2.610 ( -1.089 0.000 -0.323) 1.136 2.693 ( 1.776 0.000 -0.339) 1.808 2.765 ( -1.451 0.000 0.588) 1.566 2.821 ( 0.210 0.000 -6.366) 6.369 2.873 ( -1.871 0.000 -4.444) 4.821 2.905 ( -0.944 0.000 -0.339) 1.003 2.949 ( 1.439 0.000 0.815) 1.653 3.144 ( 0.096 0.000 4.348) 4.350 3.270 ( -1.560 0.000 -5.243) 5.470 3.327 ( -1.226 0.000 -3.047) 3.285 3.488 ( -3.454 0.000 0.163) 3.458 3.547 ( -0.083 0.000 -3.322) 3.323 3.595 ( -2.356 0.000 -0.393) 2.389 3.686 ( 0.287 0.000 -4.043) 4.053 3.696 ( -0.912 0.000 2.132) 2.319 3.853 ( -0.482 0.000 -1.078) 1.180 3.916 ( 0.722 0.000 3.386) 3.463 3.969 ( -2.594 0.000 0.649) 2.674 4.082 ( -2.199 0.000 4.170) 4.714 4.218 ( -2.468 0.000 -1.660) 2.974 4.245 ( -0.525 0.000 -0.979) 1.111 4.377 ( 6.163 0.000 -6.062) 8.645 4.427 ( 1.337 0.000 0.995) 1.666 4.623 ( -1.670 0.000 2.252) 2.804 4.749 ( 2.712 0.000 -5.171) 5.839 5.503 ( -0.551 0.000 0.179) 0.580 5.728 ( 1.873 0.000 -0.353) 1.906 5.801 ( -0.231 0.000 0.732) 0.768 5.816 ( -0.898 0.000 -1.884) 2.087 5.896 ( 1.040 0.000 1.468) 1.799 5.918 ( 0.448 0.000 -0.524) 0.689 6.016 ( -3.015 0.000 3.518) 4.633 6.041 ( -0.161 0.000 -3.565) 3.569 6.227 ( 2.548 0.000 3.652) 4.453 6.247 ( -3.847 0.000 3.019) 4.890 6.551 ( -4.181 0.000 1.913) 4.598 6.672 ( 2.199 0.000 -2.338) 3.209 6.758 ( 3.168 0.000 0.877) 3.287 6.800 ( -3.607 0.000 0.160) 3.611 7.093 ( 0.127 0.000 -2.083) 2.087 7.172 ( 3.024 0.000 -4.044) 5.050 7.609 ( 3.209 0.000 -1.482) 3.534 7.626 ( -2.518 0.000 -1.103) 2.749 7.702 ( -1.292 0.000 0.752) 1.495 7.763 ( -3.201 0.000 0.494) 3.239 7.806 ( -3.450 0.000 1.815) 3.898 7.917 ( -1.507 0.000 -1.830) 2.371 8.128 ( -0.039 0.000 2.219) 2.219 8.306 ( 0.621 0.000 0.266) 0.676 13.193 ( -1.085 0.000 -2.460) 2.689 13.408 ( -1.602 0.000 -3.267) 3.639 13.709 ( -11.208 0.000 4.918) 12.239 14.132 ( 2.079 0.000 4.765) 5.199 15.815 ( -9.401 0.000 1.468) 9.515 15.982 ( 0.338 0.000 6.320) 6.329 16.271 ( -3.697 0.000 -2.546) 4.488 16.320 ( -8.374 0.000 11.394) 14.141 16.786 ( -1.933 0.000 2.961) 3.536 17.236 ( 2.419 0.000 -2.594) 3.547 18.213 ( -4.607 0.000 3.010) 5.503 18.692 ( 7.109 0.000 -1.863) 7.349 19.945 ( 0.737 0.000 -0.142) 0.751 20.054 ( 1.670 0.000 -2.529) 3.031 20.249 ( 0.932 0.000 0.741) 1.191 20.368 ( -0.008 0.000 0.405) 0.405 21.350 ( -0.390 0.000 1.855) 1.896 21.427 ( -1.457 0.000 0.646) 1.594 22.094 ( -4.023 0.000 3.852) 5.570 22.686 ( -6.771 0.000 -1.475) 6.930 22.889 ( 7.556 0.000 -3.916) 8.510 23.002 ( 4.042 0.000 -1.408) 4.280 23.165 ( -1.155 0.000 3.020) 3.233 23.244 ( 0.000 0.000 -0.144) 0.144 45.575 ( -0.979 0.000 0.989) 1.391 45.710 ( 0.577 0.000 -0.670) 0.884 46.605 ( -1.758 0.000 1.985) 2.652 46.702 ( -1.107 0.000 0.296) 1.146 46.757 ( 2.309 0.000 1.567) 2.791 46.953 ( -0.815 0.000 -3.185) 3.288 47.539 ( 0.224 0.000 0.957) 0.983 47.679 ( 2.540 0.000 0.116) 2.543 95.656 ( -0.011 0.000 -2.006) 2.006 95.666 ( 3.992 0.000 1.291) 4.195 95.866 ( 5.028 0.000 -2.585) 5.654 95.925 ( -0.092 0.000 0.354) 0.366 96.050 ( -1.387 0.000 1.498) 2.041 96.167 ( -1.205 0.000 1.812) 2.176 96.261 ( 2.023 0.000 3.748) 4.259 96.841 ( -0.490 0.000 -6.263) 6.282 98.430 ( -1.299 0.000 0.613) 1.436 98.618 ( 2.851 0.000 -0.163) 2.855 99.223 ( -1.143 0.000 6.406) 6.507 99.770 ( -16.936 0.000 0.477) 16.942 104.736 ( -0.178 0.000 0.504) 0.534 104.749 ( -0.657 0.000 0.200) 0.687 104.770 ( 0.920 0.000 0.364) 0.989 104.991 ( 0.496 0.000 -4.496) 4.523 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 9.056 0.000 10.536) 13.893 1.130 ( -4.972 0.000 17.949) 18.625 1.166 ( -2.552 0.000 7.126) 7.570 1.371 ( 0.026 0.000 2.594) 2.594 1.737 ( -9.498 0.000 -16.023) 18.627 1.850 ( -0.700 0.000 4.429) 4.484 1.904 ( -7.152 0.000 -12.760) 14.628 1.970 ( -2.830 0.000 -10.552) 10.925 2.019 ( 11.193 0.000 13.582) 17.600 2.231 ( 19.678 0.000 21.388) 29.064 2.539 ( 0.158 0.000 4.804) 4.806 2.616 ( 0.299 0.000 0.861) 0.912 2.712 ( 1.448 0.000 -0.418) 1.508 2.715 ( -0.520 0.000 -7.260) 7.279 2.784 ( -2.619 0.000 -2.565) 3.666 2.802 ( 4.471 0.000 0.663) 4.520 2.913 ( 1.202 0.000 0.890) 1.496 2.973 ( 0.116 0.000 -0.232) 0.259 3.141 ( -5.981 0.000 -4.074) 7.237 3.179 ( -1.094 0.000 1.740) 2.055 3.258 ( -3.590 0.000 -1.140) 3.767 3.397 ( -2.783 0.000 -3.487) 4.461 3.494 ( -0.649 0.000 -3.173) 3.239 3.590 ( -1.557 0.000 1.355) 2.064 3.656 ( 1.537 0.000 -1.761) 2.337 3.737 ( 0.931 0.000 3.967) 4.075 3.837 ( -0.615 0.000 0.275) 0.673 3.939 ( -3.064 0.000 0.919) 3.199 3.980 ( 1.773 0.000 2.536) 3.095 4.097 ( -1.167 0.000 1.533) 1.927 4.157 ( -2.286 0.000 -1.816) 2.920 4.240 ( 0.535 0.000 0.190) 0.568 4.355 ( 3.079 0.000 -6.780) 7.447 4.438 ( 0.637 0.000 -1.300) 1.448 4.663 ( 1.896 0.000 1.919) 2.698 4.740 ( 3.984 0.000 -2.767) 4.851 5.520 ( 0.490 0.000 2.062) 2.119 5.751 ( 1.891 0.000 -1.690) 2.536 5.797 ( 1.460 0.000 0.536) 1.555 5.803 ( -0.656 0.000 0.345) 0.742 5.902 ( -0.000 0.000 -1.534) 1.534 5.947 ( 1.148 0.000 2.529) 2.777 5.990 ( 0.167 0.000 -2.652) 2.657 6.034 ( -1.675 0.000 3.209) 3.620 6.227 ( -4.389 0.000 2.500) 5.051 6.309 ( 2.112 0.000 2.747) 3.465 6.479 ( -6.399 0.000 -1.011) 6.478 6.650 ( -0.845 0.000 -0.805) 1.167 6.742 ( -4.651 0.000 0.531) 4.681 6.807 ( 0.824 0.000 1.727) 1.913 7.054 ( -0.941 0.000 -2.620) 2.783 7.172 ( 4.460 0.000 -3.743) 5.822 7.573 ( -1.505 0.000 -1.816) 2.359 7.634 ( 2.273 0.000 -1.200) 2.571 7.703 ( -0.707 0.000 1.583) 1.734 7.736 ( -1.723 0.000 0.586) 1.820 7.777 ( -3.145 0.000 1.411) 3.447 7.878 ( -1.595 0.000 -0.315) 1.626 8.135 ( -1.897 0.000 0.717) 2.028 8.316 ( 0.593 0.000 -0.231) 0.637 13.148 ( -3.955 0.000 1.294) 4.162 13.330 ( -1.743 0.000 -3.575) 3.977 13.605 ( -8.606 0.000 2.112) 8.861 14.257 ( 2.920 0.000 7.078) 7.657 15.702 ( -7.541 0.000 1.209) 7.637 16.051 ( -7.741 0.000 8.755) 11.686 16.230 ( 6.094 0.000 -3.068) 6.822 16.452 ( 2.756 0.000 9.654) 10.039 16.806 ( -0.830 0.000 2.892) 3.009 17.240 ( 2.886 0.000 -2.481) 3.806 18.224 ( 0.156 0.000 2.248) 2.253 18.785 ( 7.714 0.000 -1.173) 7.803 19.954 ( 0.811 0.000 -0.303) 0.865 20.045 ( 1.646 0.000 -2.333) 2.855 20.268 ( 0.197 0.000 0.873) 0.895 20.369 ( 0.122 0.000 -0.256) 0.284 21.364 ( -0.920 0.000 1.316) 1.606 21.406 ( -2.411 0.000 0.594) 2.483 22.069 ( -4.721 0.000 1.837) 5.066 22.548 ( -8.604 0.000 -0.811) 8.642 22.927 ( 5.118 0.000 -3.900) 6.435 23.044 ( 3.548 0.000 -0.803) 3.638 23.188 ( -1.407 0.000 2.772) 3.109 23.237 ( -0.096 0.000 -0.780) 0.786 45.572 ( -1.205 0.000 0.831) 1.464 45.706 ( 0.209 0.000 -0.667) 0.698 46.614 ( -1.068 0.000 2.344) 2.576 46.683 ( -2.074 0.000 0.402) 2.113 46.796 ( 0.609 0.000 0.554) 0.824 46.880 ( -1.857 0.000 -3.850) 4.274 47.563 ( 1.232 0.000 0.812) 1.476 47.729 ( 3.496 0.000 0.341) 3.513 95.623 ( -0.392 0.000 -2.131) 2.167 95.735 ( 3.976 0.000 -0.632) 4.026 95.897 ( 2.430 0.000 0.050) 2.431 95.925 ( -0.078 0.000 -0.451) 0.458 96.044 ( -1.382 0.000 0.632) 1.520 96.168 ( -1.337 0.000 1.085) 1.722 96.354 ( 2.310 0.000 4.540) 5.094 96.724 ( -2.942 0.000 -6.042) 6.720 98.419 ( -1.189 0.000 0.577) 1.322 98.667 ( 3.774 0.000 -0.147) 3.777 99.300 ( -2.194 0.000 7.633) 7.942 99.572 ( -9.855 0.000 -1.006) 9.906 104.738 ( -0.397 0.000 0.443) 0.595 104.743 ( -0.441 0.000 0.161) 0.469 104.790 ( 0.825 0.000 0.592) 1.016 104.933 ( 0.080 0.000 -3.845) 3.846 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.175 0.000 -2.147) 2.154 1.162 ( 3.410 0.000 4.493) 5.641 1.260 ( -6.048 0.000 10.281) 11.928 1.408 ( -2.797 0.000 -11.979) 12.302 1.474 ( 0.338 0.000 8.828) 8.835 1.648 ( -5.095 0.000 -9.774) 11.022 1.807 ( -1.959 0.000 -6.345) 6.641 1.881 ( -2.264 0.000 3.131) 3.864 2.340 ( 9.012 0.000 9.694) 13.236 2.572 ( -1.730 0.000 2.393) 2.953 2.602 ( 4.676 0.000 -4.087) 6.211 2.631 ( 0.871 0.000 -0.812) 1.190 2.675 ( 1.863 0.000 0.074) 1.864 2.743 ( 3.238 0.000 -0.568) 3.287 2.811 ( -2.135 0.000 -3.705) 4.276 2.822 ( 5.522 0.000 12.678) 13.828 2.950 ( 1.194 0.000 1.093) 1.619 2.982 ( 4.954 0.000 -1.597) 5.205 3.005 ( -4.244 0.000 -2.455) 4.903 3.180 ( -5.035 0.000 -0.503) 5.060 3.200 ( 0.652 0.000 1.703) 1.823 3.337 ( 0.236 0.000 -2.236) 2.248 3.444 ( -2.014 0.000 -0.904) 2.208 3.577 ( -2.771 0.000 1.988) 3.410 3.675 ( 2.227 0.000 0.043) 2.227 3.813 ( 1.817 0.000 2.080) 2.762 3.851 ( -0.213 0.000 2.917) 2.925 3.899 ( -3.114 0.000 -0.046) 3.114 4.026 ( 1.549 0.000 0.300) 1.578 4.090 ( 0.129 0.000 -1.449) 1.455 4.100 ( -2.159 0.000 -1.372) 2.559 4.258 ( -1.654 0.000 1.897) 2.517 4.288 ( 2.288 0.000 -6.374) 6.772 4.438 ( 0.738 0.000 0.931) 1.187 4.712 ( 2.044 0.000 0.363) 2.076 4.781 ( 4.216 0.000 -0.846) 4.300 5.564 ( 0.222 0.000 2.906) 2.914 5.756 ( 3.372 0.000 -2.130) 3.989 5.791 ( -0.427 0.000 -0.890) 0.987 5.848 ( 2.345 0.000 1.088) 2.585 5.883 ( -0.030 0.000 -1.088) 1.088 5.972 ( -0.131 0.000 1.070) 1.078 6.011 ( 2.077 0.000 2.208) 3.031 6.047 ( -1.685 0.000 2.164) 2.743 6.181 ( -4.874 0.000 0.873) 4.952 6.341 ( -6.987 0.000 -3.622) 7.869 6.364 ( 1.384 0.000 1.316) 1.910 6.639 ( 0.105 0.000 0.108) 0.151 6.677 ( -4.175 0.000 -0.337) 4.189 6.838 ( -0.910 0.000 3.078) 3.210 6.989 ( -2.157 0.000 -3.248) 3.899 7.198 ( 4.279 0.000 -1.974) 4.712 7.535 ( -0.272 0.000 -1.581) 1.604 7.637 ( 0.004 0.000 -0.420) 0.420 7.722 ( -0.874 0.000 -0.031) 0.875 7.723 ( 0.039 0.000 1.572) 1.572 7.762 ( -1.327 0.000 1.234) 1.812 7.863 ( -1.666 0.000 1.631) 2.331 8.098 ( -3.622 0.000 0.356) 3.639 8.317 ( 0.558 0.000 -0.831) 1.001 13.104 ( -5.983 0.000 2.651) 6.544 13.266 ( -0.407 0.000 -2.981) 3.009 13.530 ( -4.173 0.000 0.984) 4.288 14.388 ( 2.755 0.000 4.397) 5.188 15.627 ( -4.814 0.000 1.172) 4.954 16.012 ( -6.428 0.000 2.584) 6.928 16.342 ( 5.675 0.000 3.583) 6.712 16.619 ( 3.101 0.000 6.449) 7.155 16.841 ( -0.079 0.000 2.713) 2.714 17.252 ( 3.194 0.000 -2.286) 3.928 18.267 ( 1.113 0.000 2.158) 2.428 18.876 ( 5.918 0.000 -0.699) 5.960 19.961 ( 0.578 0.000 -0.134) 0.593 20.035 ( 1.162 0.000 -2.019) 2.330 20.281 ( -0.107 0.000 0.868) 0.875 20.367 ( 0.560 0.000 -0.624) 0.839 21.362 ( -1.061 0.000 0.699) 1.271 21.380 ( -1.928 0.000 0.498) 1.991 22.010 ( -4.784 0.000 0.424) 4.802 22.418 ( -6.604 0.000 -1.109) 6.697 22.942 ( 3.361 0.000 -2.807) 4.379 23.082 ( 2.639 0.000 -0.576) 2.702 23.198 ( -1.828 0.000 2.030) 2.732 23.222 ( -0.425 0.000 -0.544) 0.690 45.564 ( -1.234 0.000 0.672) 1.405 45.699 ( 0.112 0.000 -0.657) 0.666 46.636 ( -0.392 0.000 2.087) 2.124 46.652 ( -2.501 0.000 0.122) 2.504 46.793 ( -0.999 0.000 -0.302) 1.044 46.804 ( -1.076 0.000 -3.176) 3.354 47.594 ( 1.363 0.000 0.640) 1.506 47.785 ( 3.338 0.000 -0.047) 3.338 95.589 ( -0.342 0.000 -1.662) 1.696 95.766 ( 3.059 0.000 -1.852) 3.576 95.907 ( -0.789 0.000 -1.063) 1.324 95.946 ( 1.762 0.000 2.039) 2.695 96.030 ( -1.315 0.000 0.339) 1.359 96.164 ( -0.523 0.000 0.408) 0.663 96.446 ( 1.427 0.000 4.015) 4.261 96.598 ( -2.810 0.000 -5.145) 5.862 98.412 ( -0.996 0.000 0.715) 1.226 98.720 ( 4.007 0.000 -0.895) 4.105 99.362 ( -3.918 0.000 7.180) 8.179 99.439 ( -5.220 0.000 -1.917) 5.561 104.735 ( -0.496 0.000 0.002) 0.496 104.740 ( -0.160 0.000 -0.010) 0.160 104.810 ( 0.333 0.000 0.899) 0.958 104.893 ( 0.455 0.000 -2.200) 2.246 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.675 0.000 -3.936) 4.278 1.125 ( 0.706 0.000 -2.945) 3.029 1.283 ( -6.010 0.000 6.023) 8.509 1.413 ( 4.562 0.000 0.092) 4.563 1.497 ( -1.194 0.000 -3.225) 3.439 1.539 ( -2.622 0.000 0.865) 2.761 1.752 ( 0.422 0.000 0.518) 0.668 1.889 ( -2.684 0.000 4.276) 5.049 2.535 ( 3.916 0.000 3.627) 5.338 2.574 ( 1.592 0.000 -2.741) 3.169 2.582 ( -1.550 0.000 -5.700) 5.907 2.605 ( 1.882 0.000 -1.912) 2.682 2.690 ( 0.259 0.000 2.394) 2.408 2.728 ( -0.626 0.000 -0.946) 1.134 2.788 ( 1.578 0.000 1.196) 1.980 2.878 ( -4.873 0.000 1.168) 5.011 2.986 ( 0.204 0.000 2.006) 2.016 3.029 ( 3.974 0.000 -2.723) 4.817 3.068 ( 3.661 0.000 1.971) 4.158 3.120 ( -1.831 0.000 0.087) 1.833 3.218 ( 1.326 0.000 -2.344) 2.693 3.328 ( 1.264 0.000 -2.034) 2.395 3.416 ( -2.343 0.000 1.962) 3.056 3.570 ( -2.444 0.000 2.492) 3.491 3.730 ( 3.295 0.000 1.605) 3.665 3.832 ( 0.489 0.000 -1.176) 1.274 3.847 ( -3.758 0.000 0.086) 3.759 3.885 ( -0.511 0.000 0.916) 1.048 4.052 ( 0.689 0.000 1.243) 1.421 4.061 ( -1.208 0.000 -0.047) 1.209 4.067 ( 1.551 0.000 -2.509) 2.950 4.210 ( -1.981 0.000 -0.584) 2.066 4.296 ( 2.121 0.000 -0.862) 2.289 4.482 ( -0.740 0.000 4.266) 4.330 4.726 ( 1.275 0.000 -1.883) 2.274 4.820 ( 2.646 0.000 -1.441) 3.013 5.597 ( -1.066 0.000 2.357) 2.587 5.771 ( 0.409 0.000 -1.627) 1.678 5.794 ( 4.024 0.000 -0.867) 4.117 5.872 ( 0.060 0.000 -0.506) 0.510 5.883 ( 1.812 0.000 -0.496) 1.879 5.980 ( -0.499 0.000 0.069) 0.504 6.045 ( -1.713 0.000 1.291) 2.145 6.078 ( -0.856 0.000 3.040) 3.158 6.127 ( -1.082 0.000 0.855) 1.379 6.192 ( -4.899 0.000 -3.717) 6.150 6.388 ( 0.602 0.000 0.114) 0.613 6.617 ( -2.069 0.000 -1.035) 2.313 6.650 ( 0.730 0.000 0.047) 0.732 6.856 ( -2.279 0.000 0.469) 2.327 6.922 ( -1.037 0.000 0.077) 1.040 7.238 ( 2.802 0.000 -0.078) 2.803 7.519 ( 0.641 0.000 -1.174) 1.338 7.635 ( -0.831 0.000 1.272) 1.519 7.711 ( -0.283 0.000 -0.176) 0.333 7.740 ( -0.263 0.000 0.993) 1.027 7.765 ( -0.288 0.000 0.471) 0.552 7.868 ( -1.917 0.000 2.525) 3.170 8.054 ( -3.265 0.000 1.430) 3.565 8.313 ( 0.755 0.000 -0.985) 1.241 13.046 ( -5.225 0.000 1.313) 5.387 13.235 ( 1.025 0.000 -2.101) 2.337 13.502 ( -1.504 0.000 0.579) 1.612 14.436 ( 0.517 0.000 -1.649) 1.728 15.589 ( -2.794 0.000 1.325) 3.092 15.949 ( -3.332 0.000 -1.253) 3.560 16.451 ( 0.879 0.000 4.029) 4.123 16.706 ( 0.149 0.000 2.091) 2.096 16.871 ( -0.736 0.000 1.958) 2.092 17.268 ( 2.898 0.000 -2.008) 3.526 18.306 ( 0.026 0.000 1.709) 1.709 18.931 ( 3.022 0.000 -1.204) 3.253 19.969 ( 0.269 0.000 0.535) 0.599 20.029 ( 1.242 0.000 -1.175) 1.709 20.289 ( -0.425 0.000 0.821) 0.924 20.369 ( 0.776 0.000 -0.558) 0.955 21.356 ( -0.734 0.000 0.401) 0.836 21.363 ( -1.018 0.000 0.034) 1.018 21.963 ( -2.896 0.000 1.898) 3.463 22.330 ( -3.264 0.000 -0.755) 3.350 22.951 ( 2.595 0.000 -2.062) 3.314 23.104 ( 1.659 0.000 -0.979) 1.926 23.192 ( -1.950 0.000 1.178) 2.278 23.217 ( -0.222 0.000 0.732) 0.765 45.556 ( -0.988 0.000 0.639) 1.177 45.692 ( 0.290 0.000 -0.635) 0.698 46.613 ( -1.421 0.000 -1.164) 1.837 46.651 ( -0.562 0.000 0.365) 0.670 46.774 ( 0.283 0.000 -0.078) 0.294 46.776 ( -0.920 0.000 0.738) 1.179 47.618 ( 0.669 0.000 0.445) 0.803 47.820 ( 2.133 0.000 -0.964) 2.341 95.572 ( 0.366 0.000 -0.531) 0.645 95.784 ( 2.321 0.000 -1.123) 2.578 95.883 ( -0.434 0.000 -0.462) 0.634 95.989 ( 0.629 0.000 0.390) 0.740 96.024 ( -1.171 0.000 2.388) 2.659 96.162 ( 0.066 0.000 -0.301) 0.308 96.498 ( -0.646 0.000 2.246) 2.337 96.509 ( -0.171 0.000 -3.765) 3.768 98.410 ( -0.837 0.000 0.875) 1.211 98.753 ( 3.163 0.000 -2.151) 3.825 99.361 ( -1.580 0.000 -1.971) 2.526 99.378 ( -5.379 0.000 4.671) 7.124 104.726 ( -0.195 0.000 -0.487) 0.524 104.737 ( 0.017 0.000 -0.214) 0.214 104.824 ( -0.333 0.000 1.126) 1.174 104.885 ( 0.795 0.000 -0.366) 0.875 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.519 0.000 -2.974) 3.019 1.202 ( 2.735 0.000 5.003) 5.701 1.256 ( -6.082 0.000 3.058) 6.808 1.402 ( 2.633 0.000 -1.041) 2.832 1.437 ( -4.496 0.000 -5.369) 7.003 1.579 ( 5.913 0.000 5.325) 7.957 1.833 ( 3.010 0.000 6.936) 7.561 1.917 ( -2.891 0.000 4.429) 5.289 2.457 ( -0.943 0.000 -7.763) 7.820 2.493 ( -6.579 0.000 -5.781) 8.758 2.529 ( 3.769 0.000 -8.967) 9.727 2.635 ( 2.130 0.000 1.625) 2.679 2.746 ( 0.225 0.000 3.271) 3.279 2.761 ( 1.974 0.000 0.293) 1.995 2.833 ( 0.307 0.000 5.035) 5.044 2.842 ( -2.964 0.000 0.114) 2.966 3.015 ( -1.471 0.000 3.116) 3.446 3.035 ( 2.247 0.000 -2.947) 3.706 3.048 ( -3.820 0.000 -3.160) 4.957 3.110 ( 0.045 0.000 0.069) 0.082 3.169 ( 0.511 0.000 -5.372) 5.396 3.305 ( 1.800 0.000 -2.185) 2.831 3.440 ( -0.392 0.000 4.266) 4.284 3.569 ( -1.771 0.000 1.619) 2.399 3.770 ( 0.659 0.000 -0.517) 0.837 3.815 ( -1.921 0.000 1.960) 2.744 3.817 ( 0.265 0.000 -1.416) 1.440 3.840 ( -2.159 0.000 -3.586) 4.186 4.056 ( -1.001 0.000 -0.803) 1.283 4.069 ( 0.335 0.000 -1.472) 1.510 4.084 ( 0.605 0.000 2.923) 2.985 4.227 ( 3.050 0.000 2.867) 4.186 4.308 ( 1.570 0.000 -1.161) 1.952 4.521 ( -3.060 0.000 5.195) 6.030 4.698 ( 0.576 0.000 -3.831) 3.874 4.815 ( 0.945 0.000 -2.741) 2.900 5.597 ( -2.538 0.000 1.479) 2.937 5.762 ( 1.389 0.000 -1.446) 2.005 5.812 ( -0.096 0.000 -1.469) 1.473 5.870 ( 0.548 0.000 -0.478) 0.727 5.913 ( 3.887 0.000 -0.482) 3.917 5.936 ( -3.245 0.000 -2.120) 3.876 6.036 ( -1.513 0.000 0.794) 1.708 6.047 ( -1.705 0.000 -0.811) 1.889 6.131 ( -1.824 0.000 1.540) 2.387 6.196 ( 3.917 0.000 2.466) 4.628 6.386 ( -0.533 0.000 -0.631) 0.826 6.597 ( 0.782 0.000 -0.148) 0.796 6.647 ( -0.084 0.000 -1.598) 1.600 6.794 ( -1.368 0.000 -2.410) 2.771 6.966 ( 0.952 0.000 3.723) 3.843 7.270 ( 1.264 0.000 0.072) 1.266 7.522 ( 1.295 0.000 -0.352) 1.341 7.652 ( -0.630 0.000 2.613) 2.688 7.709 ( -0.142 0.000 0.414) 0.437 7.740 ( -1.543 0.000 0.187) 1.554 7.757 ( -0.911 0.000 0.226) 0.938 7.873 ( -1.907 0.000 2.283) 2.974 8.057 ( -0.452 0.000 2.935) 2.969 8.312 ( 0.883 0.000 -0.832) 1.213 12.997 ( -1.816 0.000 -0.408) 1.861 13.234 ( 2.281 0.000 -1.737) 2.867 13.495 ( -0.593 0.000 0.808) 1.002 14.352 ( -1.865 0.000 -8.679) 8.877 15.580 ( -1.150 0.000 1.537) 1.920 15.877 ( -0.987 0.000 -4.172) 4.287 16.477 ( -3.288 0.000 2.482) 4.120 16.682 ( -3.731 0.000 -1.559) 4.044 16.868 ( -2.275 0.000 0.888) 2.442 17.276 ( 1.986 0.000 -2.031) 2.840 18.312 ( -1.965 0.000 1.396) 2.410 18.932 ( 0.909 0.000 -2.597) 2.752 19.983 ( -0.212 0.000 1.197) 1.216 20.044 ( 1.675 0.000 0.176) 1.684 20.291 ( -0.759 0.000 0.747) 1.065 20.372 ( 0.440 0.000 -0.486) 0.656 21.347 ( -0.479 0.000 -0.562) 0.739 21.352 ( -0.426 0.000 0.239) 0.489 21.987 ( -0.658 0.000 4.664) 4.710 22.303 ( 0.663 0.000 -0.352) 0.751 22.963 ( 2.236 0.000 -1.295) 2.584 23.100 ( 1.049 0.000 -2.370) 2.592 23.178 ( -1.882 0.000 1.077) 2.169 23.238 ( 0.182 0.000 2.148) 2.156 45.553 ( -0.613 0.000 0.679) 0.915 45.690 ( 0.636 0.000 -0.605) 0.878 46.589 ( 0.733 0.000 -1.233) 1.435 46.626 ( -1.241 0.000 -1.450) 1.908 46.793 ( 0.034 0.000 2.136) 2.136 46.803 ( 1.284 0.000 2.149) 2.503 47.624 ( -0.490 0.000 0.326) 0.588 47.819 ( 0.468 0.000 -1.902) 1.959 95.588 ( 1.175 0.000 1.085) 1.599 95.801 ( 1.268 0.000 -0.650) 1.425 95.888 ( 0.667 0.000 0.790) 1.034 95.980 ( -1.026 0.000 -0.190) 1.044 96.057 ( -1.124 0.000 3.763) 3.927 96.153 ( -0.058 0.000 -1.034) 1.036 96.487 ( -2.934 0.000 -0.024) 2.934 96.496 ( 4.261 0.000 -2.378) 4.879 98.412 ( -0.742 0.000 1.106) 1.332 98.749 ( 1.523 0.000 -3.306) 3.640 99.334 ( 1.435 0.000 -1.833) 2.328 99.337 ( -5.475 0.000 1.312) 5.630 104.718 ( 0.273 0.000 -0.609) 0.668 104.734 ( 0.114 0.000 -0.396) 0.412 104.831 ( -1.014 0.000 1.172) 1.550 104.904 ( 1.110 0.000 0.945) 1.458 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -9.063 0.000 -3.968) 9.893 1.140 ( -9.133 0.000 -3.598) 9.816 1.204 ( -5.242 0.000 1.985) 5.606 1.329 ( -0.828 0.000 -2.364) 2.504 1.630 ( 11.476 0.000 12.518) 16.983 1.787 ( 8.611 0.000 7.917) 11.697 1.908 ( -4.609 0.000 1.685) 4.907 2.023 ( 4.974 0.000 11.109) 12.171 2.242 ( -11.386 0.000 -9.261) 14.677 2.351 ( 3.205 0.000 -9.201) 9.743 2.459 ( 4.524 0.000 -8.982) 10.058 2.552 ( -15.277 0.000 -15.143) 21.510 2.706 ( 1.441 0.000 2.244) 2.667 2.746 ( -1.243 0.000 -1.787) 2.176 2.819 ( -0.434 0.000 3.326) 3.354 2.904 ( -1.943 0.000 0.280) 1.963 2.997 ( 1.123 0.000 -2.279) 2.541 3.014 ( -1.558 0.000 3.336) 3.682 3.048 ( 1.231 0.000 3.671) 3.872 3.113 ( 2.321 0.000 -1.914) 3.008 3.167 ( 2.113 0.000 2.840) 3.540 3.352 ( 3.859 0.000 2.018) 4.355 3.516 ( 1.476 0.000 5.007) 5.220 3.562 ( -0.792 0.000 0.041) 0.793 3.732 ( -2.186 0.000 -4.918) 5.382 3.783 ( 0.110 0.000 1.815) 1.818 3.813 ( -0.492 0.000 -0.019) 0.492 3.823 ( 0.643 0.000 -0.047) 0.645 3.993 ( -2.623 0.000 -3.316) 4.228 4.025 ( -1.443 0.000 -2.473) 2.863 4.139 ( 0.947 0.000 2.656) 2.820 4.301 ( -0.648 0.000 1.807) 1.920 4.348 ( 6.524 0.000 -1.036) 6.606 4.532 ( -3.642 0.000 2.941) 4.681 4.648 ( -0.063 0.000 -2.858) 2.859 4.789 ( 0.734 0.000 -1.795) 1.939 5.571 ( -3.177 0.000 1.404) 3.474 5.770 ( 1.668 0.000 -0.895) 1.892 5.778 ( -0.580 0.000 -1.749) 1.843 5.850 ( -2.345 0.000 -2.951) 3.769 5.871 ( 1.025 0.000 -1.083) 1.492 5.978 ( 1.374 0.000 3.095) 3.386 6.022 ( -1.650 0.000 0.599) 1.755 6.029 ( 1.562 0.000 -1.859) 2.428 6.127 ( -3.040 0.000 2.731) 4.087 6.294 ( 5.858 0.000 0.600) 5.888 6.352 ( -2.150 0.000 -1.396) 2.564 6.609 ( 0.764 0.000 -3.587) 3.668 6.635 ( 2.566 0.000 1.651) 3.051 6.773 ( 1.390 0.000 -1.047) 1.741 7.024 ( 0.724 0.000 2.066) 2.189 7.275 ( 0.184 0.000 -0.845) 0.865 7.552 ( 2.083 0.000 1.073) 2.343 7.682 ( -0.362 0.000 1.307) 1.356 7.702 ( -1.601 0.000 -0.168) 1.610 7.718 ( -0.786 0.000 1.847) 2.007 7.755 ( -1.860 0.000 1.965) 2.706 7.879 ( -0.875 0.000 1.652) 1.869 8.108 ( 0.785 0.000 3.111) 3.208 8.311 ( 0.574 0.000 -1.005) 1.158 12.992 ( 2.497 0.000 -0.535) 2.554 13.250 ( 3.801 0.000 -2.502) 4.551 13.513 ( 0.113 0.000 2.469) 2.471 14.150 ( -2.865 0.000 -14.091) 14.380 15.599 ( 0.447 0.000 2.036) 2.085 15.811 ( 1.474 0.000 -5.228) 5.432 16.444 ( -5.138 0.000 2.545) 5.734 16.562 ( -7.495 0.000 -2.862) 8.023 16.836 ( -3.187 0.000 0.722) 3.268 17.270 ( 1.354 0.000 -2.309) 2.676 18.295 ( -3.583 0.000 2.320) 4.269 18.890 ( -0.385 0.000 -3.746) 3.765 19.992 ( -0.945 0.000 1.213) 1.538 20.076 ( 1.348 0.000 0.909) 1.626 20.288 ( -1.039 0.000 0.701) 1.253 20.368 ( 0.081 0.000 -0.556) 0.562 21.340 ( 0.630 0.000 -0.393) 0.743 21.348 ( -0.365 0.000 -0.047) 0.368 22.049 ( -0.968 0.000 4.848) 4.943 22.330 ( 3.825 0.000 -1.152) 3.995 22.985 ( 2.281 0.000 -0.077) 2.282 23.071 ( 1.157 0.000 -3.850) 4.020 23.168 ( -2.032 0.000 1.605) 2.590 23.276 ( 0.041 0.000 2.687) 2.687 45.556 ( -0.346 0.000 0.660) 0.746 45.694 ( 0.970 0.000 -0.577) 1.129 46.586 ( -0.959 0.000 -1.628) 1.889 46.602 ( 2.369 0.000 -0.451) 2.412 46.819 ( -0.467 0.000 1.542) 1.611 46.860 ( 1.795 0.000 2.161) 2.809 47.613 ( -1.664 0.000 0.414) 1.715 47.784 ( -0.937 0.000 -2.331) 2.513 95.634 ( 1.313 0.000 2.552) 2.870 95.790 ( -0.724 0.000 -1.945) 2.075 95.916 ( 0.666 0.000 1.207) 1.379 95.970 ( -0.946 0.000 1.342) 1.641 96.093 ( -1.725 0.000 4.514) 4.833 96.133 ( -0.090 0.000 -1.601) 1.603 96.418 ( -4.287 0.000 -1.683) 4.605 96.560 ( 8.008 0.000 -2.079) 8.273 98.419 ( -0.699 0.000 1.464) 1.622 98.709 ( 0.040 0.000 -3.780) 3.780 99.263 ( -4.312 0.000 -0.950) 4.415 99.347 ( 3.659 0.000 -1.952) 4.147 104.716 ( 0.536 0.000 -0.519) 0.746 104.730 ( 0.206 0.000 -0.528) 0.567 104.827 ( -1.526 0.000 1.047) 1.851 104.943 ( 1.658 0.000 1.622) 2.319 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -16.344 0.000 -0.339) 16.348 0.899 ( -13.859 0.000 -5.391) 14.871 1.135 ( -8.767 0.000 2.998) 9.266 1.343 ( 1.895 0.000 1.827) 2.632 1.759 ( -13.328 0.000 -10.020) 16.674 1.962 ( 8.277 0.000 9.301) 12.450 1.971 ( -10.247 0.000 -2.780) 10.617 2.004 ( -20.649 0.000 -17.559) 27.106 2.015 ( 9.149 0.000 5.154) 10.501 2.274 ( 2.951 0.000 11.551) 11.922 2.314 ( 8.699 0.000 -5.456) 10.268 2.432 ( 6.096 0.000 -4.182) 7.392 2.698 ( -1.943 0.000 -1.128) 2.247 2.785 ( 3.271 0.000 2.777) 4.291 2.817 ( -1.872 0.000 -3.579) 4.039 2.863 ( 1.264 0.000 2.040) 2.400 2.998 ( -1.360 0.000 0.854) 1.606 3.040 ( -2.083 0.000 4.771) 5.206 3.119 ( 0.371 0.000 -2.595) 2.621 3.151 ( 4.471 0.000 3.457) 5.652 3.256 ( 3.914 0.000 2.569) 4.682 3.457 ( 4.929 0.000 3.306) 5.935 3.542 ( -0.119 0.000 -2.119) 2.122 3.602 ( 0.777 0.000 2.400) 2.523 3.669 ( -0.213 0.000 0.472) 0.518 3.787 ( 2.748 0.000 -4.759) 5.496 3.810 ( 0.410 0.000 -3.795) 3.817 3.834 ( -2.372 0.000 6.349) 6.778 3.933 ( -1.715 0.000 1.076) 2.025 3.977 ( -0.857 0.000 -1.382) 1.626 4.185 ( 1.089 0.000 1.897) 2.187 4.312 ( -0.109 0.000 0.784) 0.791 4.364 ( 3.158 0.000 -7.429) 8.073 4.488 ( -3.342 0.000 -1.466) 3.649 4.652 ( -0.343 0.000 4.273) 4.287 4.794 ( 1.438 0.000 -0.294) 1.468 5.553 ( -2.732 0.000 2.521) 3.718 5.756 ( 0.974 0.000 -1.582) 1.858 5.781 ( 1.063 0.000 -0.418) 1.142 5.793 ( -1.513 0.000 -1.057) 1.845 5.868 ( 1.380 0.000 -1.983) 2.416 5.983 ( -2.703 0.000 0.400) 2.733 6.003 ( -2.124 0.000 0.691) 2.233 6.071 ( 4.642 0.000 -1.497) 4.878 6.138 ( -2.400 0.000 5.696) 6.181 6.283 ( -3.408 0.000 -2.369) 4.150 6.379 ( 5.445 0.000 -0.407) 5.461 6.587 ( 4.021 0.000 -4.488) 6.026 6.710 ( 3.047 0.000 2.526) 3.958 6.787 ( 2.740 0.000 -1.971) 3.375 7.035 ( -0.804 0.000 -0.552) 0.975 7.256 ( -0.361 0.000 -1.401) 1.447 7.606 ( 2.075 0.000 1.633) 2.640 7.653 ( -0.454 0.000 -1.753) 1.811 7.721 ( 0.643 0.000 0.911) 1.115 7.741 ( -1.870 0.000 4.280) 4.671 7.755 ( -3.001 0.000 3.464) 4.583 7.900 ( 0.995 0.000 1.304) 1.640 8.145 ( -0.899 0.000 1.622) 1.855 8.299 ( 0.229 0.000 -1.494) 1.511 13.060 ( 6.199 0.000 0.646) 6.233 13.272 ( 5.927 0.000 -5.006) 7.758 13.571 ( 0.190 0.000 5.197) 5.201 13.890 ( -2.581 0.000 -16.265) 16.468 15.654 ( 1.934 0.000 3.285) 3.812 15.781 ( 3.631 0.000 -4.418) 5.719 16.403 ( -10.295 0.000 0.287) 10.299 16.413 ( -4.984 0.000 4.095) 6.450 16.802 ( -3.229 0.000 1.433) 3.533 17.256 ( 1.425 0.000 -2.364) 2.760 18.281 ( -4.690 0.000 4.887) 6.774 18.818 ( -1.521 0.000 -4.337) 4.597 19.987 ( -1.555 0.000 0.630) 1.678 20.102 ( 0.459 0.000 0.576) 0.736 20.281 ( -1.212 0.000 0.698) 1.398 20.360 ( -0.092 0.000 -0.570) 0.577 21.338 ( -0.536 0.000 -0.384) 0.659 21.355 ( 1.755 0.000 -0.090) 1.757 22.081 ( -2.448 0.000 3.371) 4.166 22.362 ( 5.162 0.000 -4.850) 7.083 23.030 ( 1.368 0.000 -4.460) 4.665 23.036 ( 2.909 0.000 2.011) 3.536 23.161 ( -2.384 0.000 1.890) 3.042 23.308 ( -0.709 0.000 2.330) 2.435 45.560 ( -0.276 0.000 0.604) 0.664 45.702 ( 1.151 0.000 -0.557) 1.278 46.556 ( -0.154 0.000 -1.241) 1.250 46.639 ( 2.737 0.000 0.014) 2.737 46.814 ( -1.935 0.000 0.155) 1.942 46.907 ( 1.942 0.000 0.317) 1.968 47.590 ( -2.480 0.000 0.744) 2.590 47.732 ( -1.544 0.000 -2.059) 2.573 95.687 ( 0.416 0.000 2.706) 2.738 95.725 ( -2.493 0.000 -3.255) 4.100 95.933 ( -0.559 0.000 1.066) 1.204 95.989 ( -0.215 0.000 2.169) 2.180 96.111 ( 0.478 0.000 -1.755) 1.819 96.138 ( -1.857 0.000 5.765) 6.057 96.324 ( -4.208 0.000 -2.170) 4.734 96.653 ( 9.568 0.000 -4.347) 10.509 98.431 ( -0.815 0.000 1.717) 1.900 98.653 ( -0.434 0.000 -3.390) 3.418 99.191 ( -2.956 0.000 -1.307) 3.232 99.381 ( 4.313 0.000 -1.737) 4.650 104.718 ( 0.530 0.000 -0.364) 0.644 104.726 ( 0.387 0.000 -0.577) 0.695 104.816 ( -1.799 0.000 0.844) 1.987 104.995 ( 2.286 0.000 1.409) 2.685 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -22.178 0.000 14.191) 26.329 0.589 ( -17.200 0.000 -5.035) 17.922 1.043 ( -11.473 0.000 5.615) 12.773 1.165 ( -29.078 0.000 -19.639) 35.089 1.417 ( -1.060 0.000 3.613) 3.766 1.588 ( -9.883 0.000 -7.050) 12.139 1.856 ( -6.839 0.000 0.744) 6.879 2.084 ( 6.817 0.000 -3.080) 7.481 2.208 ( 5.504 0.000 3.142) 6.338 2.295 ( 3.847 0.000 -5.386) 6.618 2.463 ( 2.946 0.000 4.527) 5.401 2.598 ( 4.954 0.000 10.013) 11.171 2.669 ( -0.763 0.000 0.911) 1.188 2.788 ( 1.183 0.000 -0.238) 1.207 2.864 ( 3.298 0.000 1.251) 3.527 2.909 ( 1.833 0.000 0.498) 1.899 2.990 ( -0.615 0.000 -0.441) 0.757 3.051 ( -1.663 0.000 -2.839) 3.290 3.085 ( -0.640 0.000 4.074) 4.123 3.267 ( 4.019 0.000 3.733) 5.485 3.336 ( 3.888 0.000 -0.085) 3.889 3.501 ( -0.136 0.000 -2.924) 2.927 3.576 ( 6.378 0.000 0.141) 6.380 3.606 ( 0.464 0.000 -0.858) 0.975 3.682 ( -2.576 0.000 0.626) 2.651 3.754 ( 3.123 0.000 -5.124) 6.001 3.790 ( 2.532 0.000 -0.109) 2.534 3.878 ( -2.247 0.000 3.123) 3.847 3.944 ( -1.768 0.000 2.404) 2.984 3.973 ( 0.692 0.000 1.062) 1.268 4.228 ( 1.423 0.000 1.570) 2.119 4.274 ( 0.622 0.000 -6.361) 6.391 4.325 ( -1.343 0.000 1.797) 2.244 4.413 ( -2.380 0.000 -2.224) 3.257 4.747 ( -0.848 0.000 11.066) 11.099 4.808 ( 2.062 0.000 -1.695) 2.669 5.558 ( -2.275 0.000 2.992) 3.759 5.751 ( 1.809 0.000 -2.754) 3.295 5.778 ( -0.115 0.000 0.828) 0.836 5.790 ( 0.205 0.000 0.545) 0.583 5.860 ( 1.765 0.000 -2.107) 2.748 5.955 ( -2.339 0.000 1.358) 2.705 5.981 ( -2.260 0.000 0.926) 2.443 6.085 ( 1.978 0.000 -2.425) 3.129 6.192 ( -3.356 0.000 -2.809) 4.376 6.206 ( -0.652 0.000 5.325) 5.365 6.453 ( 4.110 0.000 0.928) 4.213 6.584 ( 7.119 0.000 -9.930) 12.218 6.767 ( 2.715 0.000 -8.404) 8.831 6.786 ( 2.475 0.000 2.107) 3.250 6.997 ( -3.362 0.000 1.117) 3.543 7.230 ( -0.021 0.000 -1.706) 1.706 7.626 ( 0.397 0.000 -2.180) 2.215 7.650 ( 0.739 0.000 1.485) 1.658 7.731 ( 0.094 0.000 0.090) 0.130 7.772 ( -2.056 0.000 4.089) 4.577 7.785 ( -2.224 0.000 6.649) 7.011 7.942 ( 1.943 0.000 1.284) 2.329 8.125 ( -3.075 0.000 0.226) 3.084 8.282 ( 0.508 0.000 -1.373) 1.464 13.174 ( 7.654 0.000 -0.315) 7.661 13.268 ( 7.279 0.000 -10.408) 12.701 13.634 ( -3.861 0.000 -11.758) 12.376 13.659 ( -1.710 0.000 8.594) 8.762 15.755 ( 3.196 0.000 5.501) 6.362 15.793 ( 4.609 0.000 -2.682) 5.333 16.313 ( -11.189 0.000 13.012) 17.161 16.409 ( -4.483 0.000 4.982) 6.702 16.782 ( -2.984 0.000 2.283) 3.757 17.247 ( 1.785 0.000 -2.293) 2.906 18.316 ( -5.187 0.000 12.349) 13.395 18.729 ( -1.763 0.000 -4.397) 4.737 19.967 ( -1.550 0.000 -0.048) 1.551 20.105 ( -0.025 0.000 -0.531) 0.532 20.270 ( -1.129 0.000 0.030) 1.129 20.352 ( -0.171 0.000 -0.181) 0.249 21.324 ( -0.675 0.000 -0.246) 0.718 21.384 ( 2.031 0.000 0.019) 2.031 22.080 ( -3.188 0.000 2.857) 4.281 22.314 ( 3.921 0.000 -13.061) 13.637 22.990 ( 1.702 0.000 -4.276) 4.602 23.130 ( 3.895 0.000 3.852) 5.477 23.149 ( -2.707 0.000 1.907) 3.311 23.320 ( -1.192 0.000 1.531) 1.941 45.565 ( -0.339 0.000 0.654) 0.736 45.712 ( 1.185 0.000 -0.594) 1.326 46.550 ( 1.006 0.000 -0.362) 1.069 46.675 ( 2.005 0.000 -0.054) 2.005 46.769 ( -3.150 0.000 -0.771) 3.242 46.920 ( 1.792 0.000 -2.867) 3.381 47.563 ( -2.729 0.000 1.065) 2.929 47.686 ( -1.265 0.000 -1.415) 1.898 95.641 ( -2.409 0.000 -2.796) 3.691 95.713 ( -0.678 0.000 1.060) 1.258 95.933 ( -1.572 0.000 1.411) 2.112 96.015 ( -0.163 0.000 1.739) 1.746 96.102 ( 0.938 0.000 -0.757) 1.206 96.193 ( 0.085 0.000 2.257) 2.259 96.241 ( -2.913 0.000 -1.758) 3.402 96.693 ( 7.619 0.000 -9.110) 11.876 98.441 ( -1.091 0.000 1.668) 1.993 98.608 ( 0.037 0.000 -2.477) 2.477 99.144 ( -1.971 0.000 -0.113) 1.974 99.437 ( 1.838 0.000 5.210) 5.524 104.721 ( 0.392 0.000 -0.173) 0.428 104.726 ( 0.701 0.000 -0.510) 0.866 104.799 ( -1.861 0.000 0.656) 1.974 105.041 ( 2.411 0.000 -0.366) 2.439 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -17.751 0.000 2.032) 17.867 0.386 ( -27.719 0.000 -5.503) 28.260 0.611 ( -26.719 0.000 30.133) 40.273 0.990 ( -9.507 0.000 8.748) 12.920 1.331 ( -4.663 0.000 -0.679) 4.712 1.595 ( 4.548 0.000 1.706) 4.858 1.787 ( -5.333 0.000 2.636) 5.949 2.140 ( 7.026 0.000 -3.208) 7.723 2.249 ( 1.577 0.000 -2.648) 3.082 2.305 ( 4.419 0.000 -2.161) 4.919 2.510 ( -3.258 0.000 2.026) 3.837 2.685 ( -1.688 0.000 1.347) 2.160 2.703 ( 1.045 0.000 2.001) 2.257 2.853 ( -0.709 0.000 1.047) 1.265 2.908 ( 1.381 0.000 -0.893) 1.645 2.927 ( 2.155 0.000 -1.495) 2.623 2.928 ( 1.476 0.000 -2.450) 2.860 3.057 ( 0.550 0.000 1.242) 1.358 3.095 ( -0.531 0.000 -6.396) 6.418 3.305 ( 2.113 0.000 -6.149) 6.502 3.365 ( 2.998 0.000 -2.557) 3.940 3.485 ( 0.192 0.000 0.204) 0.280 3.599 ( 0.199 0.000 -0.943) 0.964 3.601 ( 2.764 0.000 -0.671) 2.844 3.660 ( -1.558 0.000 1.833) 2.406 3.817 ( 2.209 0.000 2.828) 3.588 3.835 ( 2.013 0.000 0.685) 2.127 3.854 ( 1.608 0.000 3.127) 3.516 3.929 ( -2.944 0.000 0.458) 2.980 4.006 ( -0.264 0.000 2.104) 2.121 4.263 ( 1.014 0.000 3.738) 3.873 4.265 ( 0.680 0.000 1.033) 1.237 4.328 ( -1.581 0.000 1.624) 2.266 4.369 ( -0.978 0.000 -0.078) 0.982 4.806 ( 2.504 0.000 -3.431) 4.248 4.995 ( 6.696 0.000 8.067) 10.484 5.561 ( -2.383 0.000 2.342) 3.341 5.734 ( 1.625 0.000 -3.048) 3.454 5.798 ( 0.806 0.000 0.832) 1.158 5.818 ( 0.255 0.000 2.347) 2.361 5.874 ( 1.882 0.000 -1.869) 2.652 5.943 ( -2.240 0.000 1.049) 2.473 5.992 ( 3.171 0.000 11.816) 12.234 6.079 ( 1.297 0.000 -1.506) 1.988 6.123 ( -1.085 0.000 -1.087) 1.536 6.251 ( -1.148 0.000 2.945) 3.161 6.298 ( -11.187 0.000 -23.224) 25.778 6.521 ( 1.464 0.000 2.422) 2.830 6.708 ( 1.355 0.000 -0.959) 1.660 6.834 ( 0.764 0.000 1.066) 1.312 7.022 ( 0.204 0.000 5.862) 5.866 7.210 ( 0.840 0.000 -2.144) 2.303 7.601 ( 1.032 0.000 -2.672) 2.864 7.671 ( -0.545 0.000 1.361) 1.466 7.731 ( -0.835 0.000 0.507) 0.977 7.802 ( -1.162 0.000 3.279) 3.479 7.868 ( 1.578 0.000 3.094) 3.473 8.002 ( 3.302 0.000 2.014) 3.868 8.083 ( -2.880 0.000 1.119) 3.090 8.280 ( 0.897 0.000 -0.531) 1.042 13.249 ( 5.878 0.000 -3.905) 7.058 13.332 ( 12.974 0.000 18.194) 22.346 13.507 ( -1.847 0.000 2.285) 2.938 13.747 ( -5.628 0.000 10.781) 12.161 15.836 ( 4.194 0.000 -0.687) 4.250 15.862 ( 1.365 0.000 2.642) 2.974 16.405 ( -5.007 0.000 3.886) 6.338 16.643 ( 13.478 0.000 30.779) 33.601 16.776 ( -2.715 0.000 2.932) 3.996 17.243 ( 2.024 0.000 -2.380) 3.124 18.636 ( 11.848 0.000 30.026) 32.279 18.655 ( 0.182 0.000 -3.783) 3.788 19.942 ( -0.773 0.000 -0.949) 1.224 20.089 ( 0.304 0.000 -1.752) 1.778 20.206 ( -5.079 0.000 -6.535) 8.277 20.351 ( -0.143 0.000 0.469) 0.490 21.317 ( -0.478 0.000 0.636) 0.796 21.412 ( 1.396 0.000 0.191) 1.409 22.077 ( -3.268 0.000 3.757) 4.979 22.083 ( -4.712 0.000 -7.853) 9.158 22.966 ( 2.568 0.000 -3.507) 4.347 23.139 ( -2.407 0.000 2.187) 3.252 23.226 ( 2.502 0.000 0.656) 2.587 23.293 ( -2.303 0.000 -7.054) 7.420 45.569 ( -0.484 0.000 0.835) 0.966 45.715 ( 0.696 0.000 -1.541) 1.691 46.576 ( 1.703 0.000 0.899) 1.926 46.697 ( 1.033 0.000 0.171) 1.047 46.713 ( -2.701 0.000 -0.423) 2.734 46.883 ( 0.130 0.000 -0.706) 0.718 47.540 ( -2.266 0.000 1.081) 2.510 47.657 ( -0.325 0.000 -0.829) 0.891 95.589 ( -0.601 0.000 -1.353) 1.481 95.703 ( -0.662 0.000 -0.687) 0.954 95.928 ( -1.653 0.000 1.275) 2.088 95.976 ( -10.969 0.000 -27.689) 29.783 96.035 ( -1.252 0.000 0.678) 1.424 96.120 ( 0.422 0.000 1.701) 1.752 96.193 ( -0.878 0.000 -0.856) 1.226 96.716 ( 5.064 0.000 7.832) 9.326 98.445 ( -1.338 0.000 1.298) 1.865 98.586 ( 0.866 0.000 -1.534) 1.761 99.132 ( -1.290 0.000 1.987) 2.369 99.823 ( 20.304 0.000 38.131) 43.200 104.725 ( 0.235 0.000 0.108) 0.259 104.733 ( 1.051 0.000 -0.345) 1.106 104.780 ( -1.728 0.000 0.539) 1.810 105.036 ( 0.231 0.000 -3.370) 3.378 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.773 15.412 11.857) 19.461 0.658 ( 1.050 14.192 17.513) 22.565 1.007 ( -6.959 -0.451 11.886) 13.781 1.018 ( -0.177 14.286 30.754) 33.911 1.316 ( 1.235 -4.806 7.125) 8.682 1.488 ( 0.135 -3.333 0.319) 3.351 1.682 ( -2.761 -7.180 4.024) 8.681 2.164 ( 2.271 -2.586 -4.376) 5.567 2.247 ( 1.457 1.743 -3.881) 4.497 2.378 ( 3.398 -2.151 -2.526) 4.749 2.434 ( -3.830 2.767 -2.273) 5.243 2.634 ( -0.559 -3.516 -1.065) 3.717 2.712 ( -4.800 -1.669 0.439) 5.101 2.748 ( 1.123 0.402 -2.939) 3.172 2.883 ( 0.654 -3.595 -2.623) 4.498 2.910 ( -1.120 1.285 -2.818) 3.294 2.947 ( 1.191 1.106 -3.684) 4.027 2.973 ( -2.523 1.194 0.524) 2.840 3.082 ( -0.243 -0.227 4.171) 4.184 3.212 ( 2.477 -5.238 2.923) 6.490 3.450 ( 3.531 3.363 -6.276) 7.948 3.529 ( 1.720 3.280 -3.959) 5.421 3.579 ( 0.513 -0.304 -0.621) 0.861 3.626 ( -0.004 -1.048 2.002) 2.259 3.683 ( -1.675 1.255 -0.366) 2.125 3.789 ( 1.961 -0.144 -3.652) 4.148 3.843 ( 0.122 -1.289 0.025) 1.295 3.905 ( -2.390 2.165 -0.963) 3.365 4.001 ( -2.071 0.526 0.632) 2.229 4.086 ( 1.870 0.853 -1.017) 2.293 4.161 ( -5.218 -1.673 5.252) 7.590 4.317 ( 0.445 2.546 -2.715) 3.749 4.358 ( 1.306 -0.486 1.704) 2.201 4.513 ( 3.297 8.383 -7.155) 11.504 4.684 ( -3.750 -4.047 -4.665) 7.226 4.784 ( -6.895 -0.402 -5.901) 9.084 5.549 ( -1.613 2.094 -0.610) 2.713 5.722 ( 1.571 -0.585 -1.512) 2.258 5.783 ( -0.963 -0.746 -0.243) 1.242 5.813 ( 1.047 -0.679 0.760) 1.461 5.882 ( -0.258 -0.872 0.687) 1.140 5.901 ( -1.596 -0.775 -0.842) 1.964 6.045 ( -3.237 0.358 1.918) 3.779 6.094 ( 1.027 1.074 -2.434) 2.852 6.140 ( 1.365 0.212 2.129) 2.538 6.269 ( 0.401 0.287 3.887) 3.918 6.480 ( 10.701 -4.330 5.141) 12.637 6.542 ( 0.966 -1.928 3.893) 4.450 6.725 ( 0.146 0.404 0.418) 0.599 6.826 ( -2.197 -1.429 0.502) 2.668 7.044 ( 0.247 -1.722 2.715) 3.225 7.196 ( 2.198 -1.398 -4.024) 4.793 7.603 ( 1.617 0.838 -1.965) 2.679 7.657 ( -1.244 -0.963 0.255) 1.594 7.718 ( -2.338 0.504 0.136) 2.395 7.814 ( -3.593 -0.954 0.943) 3.835 7.829 ( -1.878 0.210 0.283) 1.911 7.915 ( 0.417 -3.196 1.209) 3.443 8.112 ( -0.637 1.912 2.491) 3.205 8.271 ( 0.638 -2.097 0.342) 2.218 13.266 ( 3.591 2.349 -4.359) 6.116 13.454 ( -0.196 -0.086 -0.616) 0.652 13.671 ( -0.289 -9.937 13.104) 16.448 13.847 ( 0.694 -8.814 7.265) 11.443 15.841 ( -0.424 0.115 3.893) 3.918 16.013 ( 1.462 6.883 1.105) 7.123 16.295 ( -24.838 -17.398 13.996) 33.399 16.337 ( -5.750 -2.526 1.225) 6.399 16.820 ( -1.901 4.622 2.686) 5.674 17.216 ( 0.367 -4.233 -0.734) 4.311 18.310 ( -11.313 -0.219 3.650) 11.889 18.619 ( 2.839 -3.177 -3.442) 5.477 19.947 ( 0.581 0.916 -0.129) 1.092 20.053 ( 1.590 -1.956 -1.312) 2.842 20.201 ( 1.479 1.159 2.039) 2.773 20.349 ( -0.098 -1.547 0.356) 1.590 21.336 ( -0.127 0.796 1.443) 1.653 21.416 ( 0.139 -1.289 0.564) 1.414 22.094 ( -2.905 0.723 4.892) 5.735 22.346 ( 15.056 -14.124 12.355) 24.059 22.914 ( -5.284 0.033 0.469) 5.305 22.985 ( 3.762 1.300 -2.591) 4.750 23.134 ( -2.284 -1.259 2.707) 3.759 23.223 ( -0.318 -2.228 0.290) 2.269 45.629 ( -0.600 3.278 -1.819) 3.797 45.701 ( 0.619 -0.609 -0.538) 1.022 46.626 ( 0.415 2.020 1.387) 2.485 46.703 ( -0.605 1.387 -0.782) 1.703 46.748 ( -0.508 1.758 0.126) 1.834 46.918 ( 3.305 -4.406 0.357) 5.519 47.541 ( -0.769 1.104 0.893) 1.615 47.641 ( 0.922 -1.338 -0.260) 1.646 95.605 ( 2.679 0.793 0.679) 2.875 95.679 ( 1.259 -0.629 -1.146) 1.815 95.789 ( 3.263 0.677 1.352) 3.596 95.906 ( -1.042 -1.867 1.107) 2.408 96.065 ( -0.733 2.089 2.450) 3.302 96.148 ( -0.768 -0.461 3.040) 3.170 96.211 ( 1.209 1.596 0.417) 2.045 96.603 ( 2.209 -17.682 9.067) 19.994 98.453 ( -1.263 1.563 0.763) 2.149 98.581 ( 1.048 -1.300 -0.248) 1.689 99.296 ( 0.249 10.063 -1.726) 10.213 99.858 ( -10.790 -15.401 6.004) 19.740 104.732 ( -0.101 0.232 0.296) 0.390 104.750 ( -0.216 -0.184 0.119) 0.308 104.880 ( -0.520 7.063 -6.145) 9.376 105.020 ( 2.126 -0.686 -3.114) 3.833 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 6.360 12.291 11.104) 17.743 0.931 ( -4.110 5.546 22.468) 23.505 1.092 ( -4.037 0.011 10.899) 11.622 1.368 ( -1.314 -1.979 1.152) 2.640 1.581 ( 15.902 0.445 21.958) 27.115 1.641 ( 7.990 1.581 14.097) 16.281 1.732 ( 0.628 -7.228 4.916) 8.764 2.062 ( -4.787 0.741 -9.191) 10.389 2.185 ( 1.487 2.393 -6.379) 6.974 2.194 ( -8.514 -0.705 -10.685) 13.681 2.470 ( 2.870 1.313 2.049) 3.762 2.629 ( -2.265 -0.054 -0.711) 2.374 2.656 ( 3.357 -1.261 1.356) 3.834 2.757 ( -0.923 -0.625 0.168) 1.127 2.815 ( -0.108 -1.296 -6.116) 6.253 2.870 ( -0.035 -1.461 -3.797) 4.068 2.922 ( 0.169 2.475 0.144) 2.485 2.959 ( -0.244 1.871 1.027) 2.148 3.133 ( -0.248 -1.095 3.055) 3.255 3.230 ( -1.875 -3.087 -1.290) 3.836 3.389 ( 0.077 4.624 -6.040) 7.607 3.496 ( -1.670 0.578 -2.078) 2.728 3.553 ( -2.417 0.953 -2.163) 3.381 3.633 ( -1.384 3.536 0.769) 3.875 3.662 ( 1.210 -1.173 -1.541) 2.284 3.731 ( -1.593 2.627 -1.952) 3.640 3.850 ( -1.379 -0.282 -0.914) 1.679 3.865 ( 0.423 -3.427 2.463) 4.241 3.960 ( -3.905 -1.479 0.884) 4.268 4.093 ( 2.167 -6.316 -2.282) 7.056 4.165 ( -3.652 3.809 4.160) 6.719 4.276 ( 0.215 2.673 -2.540) 3.694 4.404 ( 1.720 -1.205 0.672) 2.205 4.454 ( 1.927 4.266 -5.809) 7.461 4.601 ( -1.225 -2.371 0.242) 2.679 4.710 ( 1.489 -3.773 -3.962) 5.670 5.527 ( -0.349 2.422 -0.012) 2.447 5.736 ( 1.554 -0.762 0.148) 1.737 5.772 ( 0.038 -0.849 -0.832) 1.190 5.824 ( -0.902 0.137 -0.239) 0.943 5.871 ( -0.236 -1.814 2.030) 2.733 5.902 ( 0.822 -1.379 -0.551) 1.697 6.017 ( -0.778 1.092 -1.261) 1.841 6.080 ( -0.114 2.181 -0.805) 2.328 6.195 ( 0.069 -0.827 2.954) 3.069 6.303 ( -1.250 2.913 3.238) 4.532 6.529 ( -3.476 -2.100 2.710) 4.882 6.638 ( 0.822 -3.100 0.165) 3.211 6.750 ( 2.517 -0.740 0.907) 2.775 6.787 ( -3.444 -1.250 0.361) 3.681 7.067 ( 0.405 -1.163 -0.296) 1.267 7.169 ( 2.263 -1.115 -4.106) 4.819 7.609 ( 1.778 0.207 -1.487) 2.327 7.630 ( -0.971 0.068 -0.933) 1.349 7.697 ( -1.514 0.274 1.014) 1.843 7.772 ( -2.328 -0.196 0.338) 2.361 7.811 ( -2.707 1.160 0.928) 3.088 7.905 ( -1.007 -1.156 -1.145) 1.913 8.142 ( -0.148 1.509 1.905) 2.434 8.286 ( 0.608 -2.028 0.381) 2.152 13.236 ( -1.355 4.437 -2.407) 5.227 13.417 ( -1.512 1.043 -2.214) 2.877 13.677 ( -9.730 -3.166 4.699) 11.260 13.995 ( 2.780 -12.607 8.454) 15.432 15.847 ( -7.726 3.623 3.571) 9.250 16.020 ( -3.681 3.227 5.418) 7.302 16.240 ( -2.716 -3.985 2.260) 5.326 16.273 ( -3.491 -3.337 6.218) 7.873 16.831 ( -1.660 4.757 2.704) 5.718 17.206 ( 0.796 -3.737 -1.487) 4.100 18.258 ( -1.542 5.015 1.557) 5.473 18.654 ( 6.482 -4.139 -2.103) 7.973 19.957 ( 0.893 1.226 -0.114) 1.521 20.050 ( 1.566 -0.645 -2.086) 2.687 20.246 ( 1.046 0.076 1.181) 1.580 20.353 ( -0.001 -1.593 0.320) 1.625 21.356 ( -0.399 0.576 1.671) 1.812 21.418 ( -1.165 -0.942 0.706) 1.656 22.113 ( -3.678 2.175 4.311) 6.070 22.537 ( -2.419 -12.914 3.175) 13.517 22.912 ( 5.101 2.529 -2.364) 6.165 23.015 ( 4.210 1.232 -1.791) 4.738 23.148 ( -1.378 -1.665 2.909) 3.624 23.223 ( 0.031 -2.163 -0.080) 2.165 45.603 ( -1.127 2.488 0.070) 2.733 45.702 ( 0.438 -0.839 -0.596) 1.118 46.616 ( -3.135 1.317 1.600) 3.758 46.731 ( 1.789 2.611 0.149) 3.169 46.743 ( -0.939 -1.314 1.554) 2.242 46.928 ( 0.787 -2.491 -2.384) 3.537 47.551 ( 0.421 1.277 0.829) 1.580 47.665 ( 2.329 -1.511 0.153) 2.780 95.659 ( 1.072 0.412 -1.293) 1.730 95.673 ( 2.777 0.501 0.194) 2.828 95.856 ( 4.027 -0.712 -1.058) 4.224 95.911 ( 0.137 -1.470 0.359) 1.519 96.087 ( -0.642 3.582 1.775) 4.049 96.173 ( -1.329 0.594 2.716) 3.081 96.259 ( 2.104 0.049 2.632) 3.370 96.687 ( 0.747 -13.574 -0.498) 13.603 98.446 ( -1.054 1.849 0.792) 2.271 98.604 ( 2.101 -1.634 0.270) 2.675 99.296 ( -1.755 6.671 3.288) 7.642 99.703 ( -12.923 -6.266 1.247) 14.416 104.735 ( -0.321 0.102 0.478) 0.585 104.748 ( -0.269 -0.147 0.063) 0.313 104.821 ( -0.191 4.401 -1.574) 4.678 104.981 ( 0.296 -1.043 -4.270) 4.406 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 6.868 7.239 9.327) 13.659 1.145 ( -4.639 1.367 14.381) 15.172 1.175 ( -3.751 0.672 9.525) 10.258 1.383 ( 0.827 1.302 3.079) 3.443 1.731 ( -6.193 -3.680 -8.378) 11.049 1.792 ( -1.787 -4.247 -1.602) 4.878 1.817 ( 0.614 -6.049 -4.481) 7.553 1.908 ( -6.719 -1.802 -9.116) 11.467 2.140 ( 9.442 7.544 10.227) 15.832 2.289 ( 14.644 4.686 14.154) 20.899 2.542 ( 0.381 0.193 4.272) 4.293 2.608 ( -1.124 -0.968 0.572) 1.590 2.703 ( -0.290 -0.645 -5.564) 5.609 2.723 ( 2.752 0.698 -0.348) 2.860 2.773 ( 1.900 -0.087 -2.499) 3.140 2.825 ( 0.994 0.634 -0.667) 1.355 2.935 ( 0.358 2.303 1.220) 2.631 2.984 ( 0.927 1.547 0.094) 1.806 3.128 ( -4.107 -1.763 -2.575) 5.158 3.151 ( -2.667 -2.436 -0.003) 3.612 3.302 ( -3.912 4.471 -1.776) 6.201 3.416 ( -2.177 1.653 -3.200) 4.209 3.481 ( -1.866 -0.594 -2.467) 3.150 3.634 ( -0.567 4.094 0.465) 4.159 3.653 ( 1.180 -0.664 -1.664) 2.145 3.745 ( 0.732 0.919 3.884) 4.058 3.833 ( -0.512 -0.405 0.393) 0.762 3.897 ( -1.167 -3.454 0.534) 3.684 3.938 ( -1.302 -3.762 3.555) 5.337 4.079 ( 0.612 -5.905 -2.554) 6.462 4.168 ( -0.295 5.374 0.134) 5.384 4.261 ( 0.997 1.580 -0.808) 2.035 4.395 ( 0.971 3.448 -5.265) 6.367 4.421 ( 0.139 -1.765 -0.709) 1.907 4.620 ( 2.111 -4.238 0.594) 4.772 4.702 ( 2.835 -3.734 -1.521) 4.929 5.542 ( 0.556 2.267 1.802) 2.949 5.749 ( 0.402 -2.659 -1.332) 3.001 5.777 ( 1.923 1.275 0.499) 2.361 5.822 ( 0.097 0.770 1.169) 1.404 5.892 ( 0.449 -0.995 -0.901) 1.415 5.917 ( 0.176 -2.177 2.582) 3.382 5.990 ( 1.414 0.923 -2.807) 3.275 6.069 ( -1.068 1.792 0.388) 2.122 6.212 ( -3.133 -0.460 2.657) 4.134 6.327 ( -0.420 0.514 1.220) 1.389 6.485 ( -5.635 0.989 0.860) 5.786 6.619 ( -1.931 -2.829 0.275) 3.437 6.740 ( -3.567 -0.147 0.565) 3.615 6.799 ( 1.083 -0.973 1.594) 2.158 7.049 ( -0.523 -0.123 -2.121) 2.188 7.154 ( 2.975 -1.916 -3.426) 4.925 7.582 ( -0.566 0.930 -1.936) 2.221 7.637 ( 1.667 -0.114 -0.537) 1.755 7.697 ( -1.227 0.261 1.718) 2.127 7.752 ( -0.879 0.385 0.149) 0.971 7.779 ( -2.935 0.867 0.853) 3.177 7.872 ( -1.549 -0.661 -0.311) 1.713 8.147 ( -1.639 1.420 0.599) 2.250 8.296 ( 0.466 -2.044 -0.177) 2.104 13.165 ( -5.361 1.906 0.030) 5.690 13.339 ( -4.216 -0.085 -3.110) 5.240 13.620 ( -4.241 2.683 3.482) 6.108 14.164 ( 4.036 -9.345 7.850) 12.854 15.754 ( -7.657 5.271 1.494) 9.415 16.038 ( -8.640 -1.630 7.226) 11.381 16.237 ( 6.087 0.893 -1.085) 6.247 16.420 ( 3.447 -3.303 9.160) 10.329 16.851 ( -0.649 4.589 2.554) 5.292 17.202 ( 1.722 -4.044 -1.655) 4.697 18.282 ( 1.675 6.101 1.218) 6.443 18.736 ( 7.294 -5.136 -1.320) 9.017 19.967 ( 0.819 1.318 -0.347) 1.590 20.043 ( 1.393 -0.345 -2.081) 2.528 20.270 ( 0.438 0.372 0.909) 1.075 20.356 ( 0.216 -1.396 -0.158) 1.422 21.366 ( -0.997 0.266 1.160) 1.553 21.402 ( -2.035 -0.423 0.564) 2.154 22.098 ( -4.630 3.083 2.190) 5.978 22.477 ( -6.960 -7.079 0.392) 9.935 22.947 ( 4.452 2.193 -3.076) 5.839 23.053 ( 3.624 0.824 -1.293) 3.935 23.169 ( -1.341 -1.885 2.633) 3.505 23.219 ( -0.025 -1.891 -0.586) 1.980 45.592 ( -1.127 1.959 0.488) 2.312 45.698 ( 0.142 -0.905 -0.571) 1.079 46.596 ( -2.721 -0.699 1.697) 3.282 46.713 ( -3.494 -0.253 0.938) 3.626 46.771 ( 1.645 0.558 -0.377) 1.778 46.896 ( 0.157 0.632 -2.664) 2.742 47.576 ( 1.344 1.383 0.723) 2.060 47.711 ( 3.242 -1.860 0.337) 3.753 95.632 ( -0.269 0.961 -2.093) 2.319 95.720 ( 2.921 -1.395 -1.056) 3.405 95.896 ( 2.329 -0.128 0.298) 2.351 95.917 ( 0.530 -0.713 0.136) 0.899 96.091 ( -1.008 4.753 0.383) 4.874 96.185 ( -1.268 1.764 1.813) 2.830 96.340 ( 2.302 -1.417 3.719) 4.597 96.639 ( -1.901 -8.423 -3.969) 9.503 98.444 ( -0.837 2.594 0.860) 2.858 98.648 ( 3.018 -2.109 0.289) 3.694 99.330 ( -2.626 2.988 5.727) 6.973 99.545 ( -8.626 -2.721 -0.645) 9.068 104.736 ( -0.433 -0.036 0.491) 0.656 104.745 ( -0.283 -0.020 -0.011) 0.284 104.814 ( 0.377 2.244 -0.119) 2.278 104.925 ( -0.004 -0.854 -3.549) 3.650 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -1.200 1.145 -0.738) 1.815 1.192 ( 2.213 3.176 4.071) 5.618 1.255 ( -5.288 -0.435 8.757) 10.239 1.442 ( -3.386 3.308 -10.415) 11.441 1.477 ( -0.104 0.065 5.848) 5.849 1.637 ( -4.354 -0.840 -7.639) 8.832 1.746 ( -0.940 -5.066 -3.373) 6.158 1.861 ( -1.872 -3.048 2.392) 4.303 2.379 ( 7.160 3.650 7.115) 10.734 2.537 ( 0.669 -1.934 -0.951) 2.257 2.600 ( -0.337 -1.485 -0.370) 1.567 2.642 ( 3.384 1.417 0.518) 3.705 2.703 ( 0.869 1.619 -1.605) 2.440 2.733 ( 3.616 -0.243 3.825) 5.269 2.816 ( -0.905 0.646 -3.904) 4.060 2.844 ( 6.394 1.540 7.555) 10.016 2.945 ( 0.920 -0.206 -0.754) 1.207 2.998 ( 0.005 2.242 -0.818) 2.387 3.034 ( -0.069 1.999 -0.997) 2.235 3.145 ( 0.504 -4.749 0.310) 4.786 3.221 ( -5.019 4.274 0.044) 6.593 3.372 ( 0.258 2.628 -1.046) 2.840 3.428 ( -2.594 -0.903 -0.203) 2.754 3.629 ( -1.333 4.758 1.410) 5.138 3.661 ( 1.330 -2.004 0.080) 2.407 3.815 ( 1.349 0.046 1.013) 1.688 3.844 ( -0.317 -0.546 2.277) 2.363 3.879 ( -1.942 -1.604 1.808) 3.100 3.982 ( 0.773 -3.466 1.906) 4.030 4.043 ( -0.416 -4.013 -2.447) 4.719 4.155 ( 1.080 4.539 -2.547) 5.316 4.271 ( 2.773 -0.577 -2.985) 4.115 4.325 ( -2.826 4.870 -1.390) 5.800 4.428 ( 0.665 -0.850 1.454) 1.811 4.663 ( 2.228 -4.916 0.189) 5.401 4.738 ( 3.130 -4.442 -0.387) 5.448 5.584 ( 0.410 2.027 2.652) 3.363 5.745 ( 1.567 -1.618 -1.161) 2.534 5.810 ( 1.288 1.815 0.482) 2.277 5.841 ( 1.191 0.169 -0.473) 1.292 5.887 ( 0.818 0.026 -0.644) 1.041 5.963 ( 0.041 -0.906 3.226) 3.351 5.990 ( 2.254 -1.327 -0.545) 2.672 6.057 ( -1.045 0.337 0.264) 1.130 6.178 ( -4.896 -0.047 1.145) 5.029 6.288 ( -4.536 -3.042 -2.336) 5.940 6.426 ( -1.874 3.713 0.246) 4.167 6.604 ( -1.464 -2.939 0.797) 3.379 6.698 ( -2.363 1.729 0.062) 2.928 6.829 ( -0.849 -1.234 2.455) 2.876 6.995 ( -1.651 0.899 -2.892) 3.449 7.160 ( 2.884 -3.533 -1.939) 4.955 7.556 ( 0.184 1.875 -1.197) 2.232 7.648 ( 0.602 0.403 -0.173) 0.745 7.703 ( -1.416 -0.061 1.518) 2.077 7.744 ( 0.077 1.045 -0.390) 1.118 7.761 ( -1.361 -0.045 1.425) 1.971 7.855 ( -1.707 -1.018 1.174) 2.308 8.116 ( -2.992 2.018 0.325) 3.623 8.295 ( 0.350 -2.227 -0.723) 2.368 13.091 ( -5.664 -0.736 1.429) 5.888 13.222 ( -4.896 -3.864 -2.668) 6.783 13.638 ( 0.345 10.279 2.053) 10.487 14.314 ( 3.531 -7.762 4.495) 9.640 15.678 ( -4.980 5.119 1.149) 7.233 15.986 ( -6.379 -2.788 2.522) 7.404 16.354 ( 4.743 1.531 4.014) 6.400 16.586 ( 2.969 -3.496 6.382) 7.859 16.883 ( 0.225 4.303 2.255) 4.863 17.210 ( 2.395 -4.265 -1.615) 5.152 18.332 ( 2.190 6.651 1.357) 7.133 18.822 ( 5.782 -5.731 -0.810) 8.181 19.971 ( 0.503 1.093 -0.270) 1.233 20.032 ( 0.922 -0.378 -1.840) 2.093 20.287 ( 0.134 0.618 0.799) 1.020 20.357 ( 0.616 -1.038 -0.453) 1.289 21.361 ( -1.103 0.028 0.664) 1.287 21.379 ( -1.724 -0.114 0.345) 1.762 22.044 ( -4.738 3.526 0.627) 5.939 22.373 ( -6.045 -4.688 -0.627) 7.676 22.962 ( 3.053 2.120 -2.575) 4.521 23.084 ( 2.695 0.120 -1.132) 2.925 23.179 ( -1.586 -1.793 1.886) 3.048 23.209 ( -0.379 -1.382 -0.197) 1.447 45.582 ( -1.073 1.877 0.517) 2.223 45.691 ( 0.061 -0.844 -0.518) 0.992 46.581 ( -1.901 -2.530 1.095) 3.349 46.658 ( -3.837 -2.902 -0.577) 4.845 46.786 ( 1.130 3.044 0.033) 3.247 46.863 ( -0.435 2.714 -1.717) 3.241 47.607 ( 1.470 1.436 0.525) 2.121 47.763 ( 3.119 -2.236 -0.035) 3.838 95.600 ( -0.274 1.145 -1.670) 2.043 95.732 ( 1.750 -2.922 -1.741) 3.825 95.912 ( 0.556 0.392 -0.428) 0.804 95.955 ( 1.681 -0.153 1.986) 2.606 96.070 ( -1.378 4.895 -0.634) 5.125 96.191 ( -0.562 2.634 0.942) 2.853 96.421 ( 1.500 -2.559 3.297) 4.435 96.544 ( -2.282 -5.596 -4.301) 7.417 98.445 ( -0.690 3.425 0.909) 3.610 98.696 ( 3.268 -2.591 -0.429) 4.193 99.367 ( -3.766 0.532 5.832) 6.963 99.430 ( -4.872 -0.949 -1.387) 5.154 104.734 ( -0.438 -0.005 0.146) 0.462 104.740 ( -0.193 -0.021 -0.083) 0.212 104.822 ( 0.223 1.197 0.498) 1.316 104.888 ( 0.367 -0.546 -1.963) 2.071 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.20 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.776 1.795 -1.232) 2.311 1.154 ( -0.165 2.613 -3.858) 4.662 1.277 ( -4.975 -0.121 5.066) 7.102 1.424 ( 2.830 1.142 -0.649) 3.120 1.461 ( -1.173 -2.851 -0.715) 3.165 1.567 ( -1.653 1.503 0.050) 2.235 1.724 ( 0.487 -2.222 0.268) 2.291 1.861 ( -2.302 -2.941 3.037) 4.814 2.514 ( 0.296 -3.235 -3.430) 4.725 2.514 ( 1.980 -2.356 1.052) 3.252 2.594 ( 1.061 1.828 -0.192) 2.122 2.667 ( 0.656 1.588 -0.928) 1.952 2.697 ( 1.047 2.010 -1.007) 2.480 2.740 ( -0.980 1.135 -0.677) 1.645 2.806 ( 1.056 2.055 2.418) 3.345 2.927 ( -1.823 3.761 -0.187) 4.184 2.970 ( 0.894 -0.377 0.283) 1.011 3.010 ( 2.762 -1.066 1.107) 3.160 3.087 ( 3.570 0.751 -0.456) 3.677 3.144 ( 0.720 -4.105 -2.635) 4.931 3.173 ( -2.032 3.384 0.810) 4.029 3.363 ( 0.216 0.951 -2.107) 2.322 3.413 ( -1.993 1.225 2.919) 3.741 3.632 ( -1.336 5.514 1.446) 5.855 3.704 ( 1.566 -3.833 2.875) 5.041 3.797 ( -0.966 -0.671 -1.498) 1.904 3.860 ( -0.776 -0.652 -1.576) 1.874 3.887 ( -0.687 0.485 1.740) 1.933 4.004 ( 0.128 -2.566 -1.064) 2.781 4.023 ( 0.157 -2.644 1.549) 3.068 4.144 ( 1.827 4.826 -1.369) 5.339 4.239 ( 0.764 1.334 -2.709) 3.115 4.310 ( -0.545 2.572 1.044) 2.829 4.470 ( -0.836 -0.859 3.726) 3.914 4.679 ( 1.167 -4.851 -1.619) 5.245 4.769 ( 2.045 -5.170 -1.091) 5.666 5.617 ( -0.748 2.058 2.112) 3.042 5.753 ( 0.778 -1.511 -0.763) 1.862 5.827 ( 3.078 2.421 -2.270) 4.527 5.861 ( 0.900 0.216 0.899) 1.290 5.890 ( 0.479 -0.012 -0.250) 0.541 5.975 ( -0.285 -0.340 -0.241) 0.505 6.043 ( -0.823 -0.559 -0.469) 1.100 6.059 ( 1.219 -2.186 3.983) 4.704 6.115 ( -3.057 -0.692 -0.133) 3.138 6.168 ( -4.529 -2.055 -2.865) 5.739 6.421 ( -0.122 2.960 0.196) 2.969 6.586 ( -1.211 -2.402 -0.393) 2.719 6.681 ( -0.305 2.367 0.081) 2.388 6.834 ( -2.123 -2.195 0.449) 3.086 6.943 ( -0.722 2.196 -0.233) 2.323 7.182 ( 2.087 -5.071 -0.430) 5.500 7.552 ( 0.555 2.682 -0.235) 2.748 7.655 ( -0.166 1.554 0.687) 1.707 7.694 ( -1.151 -0.783 0.353) 1.437 7.750 ( 0.115 0.604 0.674) 0.913 7.767 ( -0.377 0.168 0.619) 0.744 7.851 ( -1.908 -1.796 2.079) 3.345 8.082 ( -2.584 2.874 1.234) 4.057 8.290 ( 0.545 -2.348 -0.790) 2.537 13.033 ( -4.694 -1.104 1.090) 4.944 13.143 ( -1.296 -6.429 -1.492) 6.726 13.662 ( 0.490 13.510 -0.121) 13.519 14.372 ( 0.992 -6.845 -1.615) 7.102 15.637 ( -2.864 4.890 1.286) 5.812 15.928 ( -3.562 -2.360 -0.396) 4.291 16.453 ( 0.407 0.567 3.741) 3.805 16.670 ( -0.129 -3.771 2.260) 4.398 16.911 ( -0.269 4.128 1.422) 4.375 17.224 ( 2.288 -4.380 -1.556) 5.181 18.374 ( 0.860 6.964 1.014) 7.090 18.875 ( 3.100 -5.858 -1.239) 6.742 19.977 ( 0.268 0.790 0.376) 0.915 20.025 ( 1.041 -0.430 -1.018) 1.518 20.297 ( -0.234 0.791 0.715) 1.092 20.362 ( 0.715 -0.805 -0.404) 1.150 21.356 ( -0.641 0.035 0.452) 0.785 21.362 ( -1.019 -0.104 -0.004) 1.024 21.997 ( -2.904 3.549 1.657) 4.876 22.294 ( -3.150 -3.760 -0.487) 4.929 22.969 ( 2.404 1.905 -2.009) 3.667 23.099 ( 1.819 -0.600 -1.508) 2.437 23.178 ( -1.660 -1.227 1.447) 2.521 23.207 ( -0.328 -1.054 0.838) 1.387 45.575 ( -0.842 1.972 0.569) 2.218 45.686 ( 0.202 -0.719 -0.437) 0.865 46.568 ( -0.841 -3.296 -0.315) 3.416 46.597 ( -2.103 -4.083 -1.033) 4.707 46.812 ( 0.822 3.768 1.466) 4.126 46.839 ( -0.597 3.898 -0.223) 3.950 47.630 ( 0.785 1.409 0.255) 1.633 47.796 ( 1.999 -2.446 -0.885) 3.281 95.583 ( 0.399 1.204 -0.548) 1.382 95.734 ( 1.312 -3.785 -0.904) 4.106 95.917 ( 0.508 1.931 0.217) 2.008 96.004 ( 0.256 -1.290 2.562) 2.879 96.040 ( -0.562 4.892 -1.189) 5.066 96.193 ( -0.249 2.893 0.133) 2.906 96.458 ( -0.094 -4.175 -1.691) 4.505 96.476 ( -0.312 -3.282 0.015) 3.297 98.447 ( -0.701 3.884 0.851) 4.037 98.726 ( 2.517 -2.937 -1.629) 4.197 99.360 ( -1.745 -0.055 -1.505) 2.305 99.373 ( -4.700 -0.421 3.844) 6.086 104.727 ( -0.227 0.188 -0.317) 0.433 104.737 ( -0.028 -0.016 -0.082) 0.088 104.832 ( -0.238 0.748 0.832) 1.144 104.880 ( 0.680 -0.476 -0.312) 0.886 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.389 1.739 -2.475) 3.050 1.212 ( 1.405 0.266 4.618) 4.834 1.253 ( -4.865 0.707 2.346) 5.448 1.389 ( 0.176 -0.796 -1.475) 1.686 1.488 ( -0.543 4.188 -1.721) 4.560 1.574 ( 4.579 0.028 4.341) 6.310 1.777 ( 2.001 -5.332 5.102) 7.646 1.878 ( -2.294 -4.033 3.247) 5.663 2.429 ( -1.447 -1.510 -5.757) 6.126 2.494 ( 2.739 -2.869 -7.442) 8.433 2.563 ( -3.764 5.192 -5.177) 8.242 2.659 ( 1.068 1.836 0.696) 2.235 2.736 ( 0.218 -0.599 4.514) 4.559 2.760 ( 1.203 0.465 -0.480) 1.376 2.846 ( -0.030 1.249 3.396) 3.619 2.903 ( -1.455 4.897 -1.221) 5.252 2.983 ( -0.250 -1.815 0.451) 1.887 3.022 ( -1.010 -0.801 -0.396) 1.349 3.082 ( -0.029 1.323 -3.530) 3.770 3.108 ( 0.629 -3.320 -3.978) 5.220 3.162 ( -0.605 3.698 1.239) 3.947 3.336 ( 1.424 1.814 -1.701) 2.865 3.430 ( -1.309 0.061 3.573) 3.805 3.625 ( -1.039 4.549 0.079) 4.667 3.752 ( -2.544 -4.876 3.645) 6.598 3.779 ( 1.509 0.588 -1.071) 1.942 3.811 ( -0.503 -0.739 -2.745) 2.887 3.865 ( -1.875 1.681 -1.680) 3.028 3.991 ( -0.717 -2.991 -1.234) 3.314 4.051 ( 0.640 -2.712 1.950) 3.401 4.158 ( 0.830 5.130 -1.575) 5.430 4.265 ( 4.113 3.007 1.915) 5.443 4.314 ( -0.222 1.440 0.545) 1.556 4.494 ( -2.861 -2.471 3.751) 5.325 4.655 ( 0.477 -4.253 -3.191) 5.338 4.762 ( 0.495 -5.403 -2.331) 5.905 5.617 ( -2.338 2.080 1.157) 3.337 5.748 ( 0.618 -1.421 -1.001) 1.845 5.820 ( 0.310 0.869 -2.718) 2.870 5.871 ( 0.698 0.144 -0.581) 0.919 5.914 ( -0.260 -0.657 1.308) 1.487 5.950 ( 0.273 2.057 -2.520) 3.264 6.011 ( -0.633 -2.006 -0.812) 2.255 6.064 ( -1.646 1.092 0.564) 2.054 6.121 ( -1.776 -0.998 2.000) 2.855 6.163 ( 4.380 -3.053 2.155) 5.758 6.412 ( -0.802 2.474 -0.667) 2.685 6.569 ( 0.144 -2.393 -0.783) 2.522 6.674 ( -0.243 2.286 -0.657) 2.391 6.789 ( -1.084 -0.716 -1.722) 2.157 6.975 ( 1.083 1.132 2.937) 3.329 7.205 ( 1.323 -5.714 -0.012) 5.866 7.563 ( 0.807 3.185 0.261) 3.296 7.664 ( -0.487 1.011 1.373) 1.773 7.687 ( -1.011 -1.257 0.870) 1.833 7.754 ( -1.257 -0.102 -0.541) 1.372 7.763 ( -0.477 1.345 1.387) 1.990 7.859 ( -1.290 -1.464 2.303) 3.019 8.084 ( -0.505 2.834 2.374) 3.731 8.291 ( 0.736 -2.308 -0.588) 2.493 12.990 ( -1.379 -0.480 -0.230) 1.478 13.141 ( 2.062 -6.672 0.113) 6.984 13.643 ( -0.814 12.462 -2.031) 12.652 14.293 ( -1.793 -6.235 -8.459) 10.661 15.628 ( -1.132 4.770 1.510) 5.129 15.867 ( -1.311 -1.181 -2.859) 3.359 16.469 ( -3.380 -0.333 2.104) 3.995 16.646 ( -3.759 -3.644 -1.264) 5.386 16.908 ( -1.794 4.074 0.350) 4.465 17.229 ( 1.430 -4.733 -1.765) 5.250 18.382 ( -1.243 7.077 0.658) 7.215 18.878 ( 0.948 -5.685 -2.461) 6.267 19.990 ( -0.042 0.722 1.073) 1.294 20.039 ( 1.493 -0.531 0.260) 1.606 20.299 ( -0.675 0.829 0.619) 1.236 20.364 ( 0.302 -0.767 -0.359) 0.899 21.347 ( -0.548 0.090 -0.292) 0.627 21.355 ( -0.261 0.186 0.239) 0.400 22.012 ( -0.672 2.759 3.877) 4.806 22.270 ( 0.423 -3.467 -0.114) 3.494 22.979 ( 2.110 1.648 -1.390) 3.017 23.094 ( 1.339 -0.822 -2.626) 3.060 23.172 ( -1.781 -0.396 1.522) 2.377 23.226 ( 0.005 -1.249 2.086) 2.431 45.574 ( -0.522 2.085 0.660) 2.249 45.686 ( 0.473 -0.595 -0.353) 0.839 46.542 ( -0.365 -3.426 -1.413) 3.724 46.580 ( 0.881 -4.037 -0.726) 4.195 46.827 ( -1.012 3.779 1.568) 4.215 46.864 ( 1.262 3.860 2.144) 4.592 47.635 ( -0.359 1.264 0.048) 1.315 47.795 ( 0.425 -2.408 -1.750) 3.007 95.599 ( 1.183 1.203 1.046) 1.985 95.748 ( 1.210 -3.799 0.079) 3.988 95.933 ( 0.123 2.487 1.265) 2.793 96.001 ( -1.970 1.477 -0.011) 2.462 96.052 ( 0.799 1.132 1.457) 2.011 96.186 ( -0.497 2.907 -0.349) 2.970 96.433 ( 0.900 -4.548 -2.381) 5.212 96.478 ( 0.511 -2.720 -0.274) 2.781 98.448 ( -0.811 3.732 0.847) 3.912 98.722 ( 1.047 -2.975 -2.698) 4.150 99.330 ( -1.275 -0.107 -0.708) 1.463 99.341 ( -2.224 0.112 0.183) 2.234 104.721 ( 0.116 0.323 -0.431) 0.551 104.736 ( 0.108 0.155 -0.139) 0.235 104.837 ( -0.733 0.702 0.944) 1.386 104.897 ( 0.982 -0.696 0.863) 1.481 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -8.418 1.899 -3.777) 9.420 1.172 ( -7.664 1.752 -0.926) 7.916 1.194 ( -5.929 0.652 0.232) 5.970 1.355 ( -0.092 2.535 -2.189) 3.351 1.641 ( 8.802 0.882 10.481) 13.716 1.761 ( 7.499 -2.750 6.302) 10.174 1.870 ( -3.399 -4.099 3.782) 6.532 1.905 ( 1.981 -8.360 6.339) 10.677 2.322 ( -3.252 2.997 -4.880) 6.585 2.386 ( -2.007 5.231 -9.573) 11.092 2.435 ( 4.619 -1.694 -8.164) 9.532 2.554 ( -12.278 0.476 -12.908) 17.821 2.733 ( 1.003 2.414 1.679) 3.106 2.788 ( -1.552 2.666 0.776) 3.181 2.829 ( -0.979 1.564 1.350) 2.287 2.900 ( -1.880 -0.383 0.011) 1.918 2.971 ( -0.017 -1.236 -1.211) 1.730 3.041 ( 3.089 0.442 1.746) 3.576 3.047 ( -1.042 0.587 0.840) 1.461 3.080 ( 1.168 -2.469 -0.002) 2.732 3.207 ( 2.496 4.173 3.326) 5.891 3.380 ( 3.499 2.511 1.907) 4.710 3.482 ( 0.502 -1.892 4.240) 4.670 3.610 ( 0.363 2.854 -1.148) 3.098 3.723 ( -1.798 -0.938 -3.907) 4.402 3.773 ( -0.937 -1.280 2.030) 2.577 3.797 ( -0.515 -1.322 0.369) 1.466 3.840 ( 0.323 1.662 0.115) 1.697 3.941 ( -2.323 -2.149 -1.543) 3.521 4.088 ( -0.242 -0.981 1.069) 1.471 4.115 ( 0.049 2.481 -3.525) 4.311 4.321 ( -0.555 2.245 1.515) 2.765 4.369 ( 5.577 1.409 -0.225) 5.757 4.496 ( -2.719 -3.222 2.506) 4.905 4.613 ( -0.049 -3.421 -2.527) 4.253 4.737 ( 0.416 -5.289 -1.365) 5.478 5.590 ( -2.879 1.938 1.030) 3.621 5.747 ( 0.688 -2.216 -0.494) 2.373 5.781 ( -0.285 0.555 -2.237) 2.323 5.856 ( -1.877 0.671 -2.252) 3.007 5.878 ( 0.995 -0.004 -1.710) 1.978 5.959 ( -1.509 -1.842 2.349) 3.345 6.032 ( 4.189 1.511 -1.087) 4.584 6.053 ( -0.835 1.810 0.314) 2.018 6.126 ( -2.664 0.071 3.392) 4.313 6.263 ( 5.150 -2.671 1.329) 5.951 6.376 ( -1.389 2.003 -2.036) 3.176 6.556 ( 0.907 -3.912 -2.514) 4.738 6.673 ( 0.993 2.496 0.491) 2.731 6.773 ( 1.117 -0.091 -0.825) 1.392 7.029 ( 0.927 0.635 1.888) 2.197 7.218 ( 0.768 -5.118 -0.440) 5.194 7.587 ( 1.292 2.782 0.877) 3.190 7.667 ( -1.306 -1.229 0.479) 1.856 7.693 ( -0.700 0.120 2.135) 2.250 7.732 ( -0.585 0.108 0.195) 0.626 7.774 ( -1.427 2.063 2.127) 3.288 7.873 ( -0.647 -0.714 1.753) 2.001 8.125 ( 0.569 1.793 2.589) 3.200 8.292 ( 0.504 -2.085 -0.748) 2.271 12.999 ( 3.046 0.842 -0.024) 3.161 13.196 ( 4.924 -4.802 -0.163) 6.879 13.593 ( -1.720 7.596 -1.678) 7.967 14.096 ( -3.293 -5.737 -13.357) 14.906 15.646 ( 0.396 4.618 1.891) 5.006 15.815 ( 1.074 0.203 -3.966) 4.114 16.430 ( -5.205 -1.082 2.178) 5.745 16.533 ( -7.183 -2.900 -2.531) 8.149 16.876 ( -2.721 4.078 0.190) 4.906 17.218 ( 0.899 -5.107 -1.970) 5.547 18.364 ( -2.859 6.941 1.367) 7.630 18.840 ( -0.401 -5.339 -3.389) 6.336 20.001 ( -0.698 0.917 1.092) 1.588 20.069 ( 1.216 -0.744 0.889) 1.680 20.295 ( -1.072 0.702 0.571) 1.403 20.360 ( -0.107 -0.835 -0.405) 0.934 21.341 ( 0.189 0.263 -0.129) 0.349 21.355 ( 0.017 0.442 -0.038) 0.444 22.063 ( -0.737 1.695 3.933) 4.346 22.293 ( 3.037 -3.824 -0.919) 4.969 22.995 ( 2.011 1.041 -0.545) 2.329 23.068 ( 1.449 -0.446 -3.793) 4.085 23.168 ( -2.107 0.190 1.974) 2.893 23.259 ( -0.230 -1.695 2.592) 3.106 45.578 ( -0.258 2.191 0.689) 2.311 45.690 ( 0.728 -0.531 -0.302) 0.951 46.525 ( 0.503 -3.223 -1.131) 3.452 46.595 ( 2.796 -3.017 -1.115) 4.262 46.836 ( -1.502 3.228 1.897) 4.034 46.912 ( 0.982 3.152 1.968) 3.843 47.622 ( -1.492 1.036 0.070) 1.818 47.763 ( -0.912 -2.159 -2.140) 3.173 95.644 ( 1.274 1.043 2.401) 2.912 95.760 ( 0.093 -2.510 -0.471) 2.555 95.948 ( -0.991 2.234 1.319) 2.777 95.977 ( -1.440 0.774 0.899) 1.865 96.081 ( 0.379 0.150 1.273) 1.337 96.171 ( -1.140 2.933 0.165) 3.151 96.385 ( -2.565 -3.208 -2.500) 4.808 96.513 ( 5.660 -4.774 -1.894) 7.643 98.449 ( -0.900 3.067 1.083) 3.375 98.685 ( -0.269 -2.606 -3.062) 4.030 99.278 ( -2.896 1.439 -0.777) 3.326 99.345 ( 3.135 -0.257 -1.658) 3.556 104.718 ( 0.273 0.331 -0.396) 0.584 104.737 ( 0.274 0.456 -0.141) 0.550 104.837 ( -0.988 1.098 0.888) 1.723 104.933 ( 1.538 -1.064 1.505) 2.401 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -14.458 3.729 -1.667) 15.024 0.983 ( -12.344 7.929 -3.292) 15.036 1.109 ( -8.190 -2.604 2.154) 8.859 1.356 ( 0.506 1.294 0.863) 1.636 1.734 ( -7.946 -5.029 -4.196) 10.298 1.807 ( -2.559 -10.055 -1.843) 10.538 1.977 ( -9.254 1.603 -7.478) 12.006 2.017 ( -2.128 3.185 3.357) 5.094 2.079 ( 0.674 2.241 3.385) 4.115 2.298 ( 1.893 1.108 -1.839) 2.863 2.326 ( 4.752 0.977 -1.571) 5.099 2.438 ( 7.255 -0.324 -2.798) 7.782 2.727 ( -2.523 2.863 -1.657) 4.161 2.795 ( -0.908 0.035 -0.243) 0.940 2.825 ( 1.639 1.818 -0.368) 2.475 2.873 ( 0.993 0.648 2.181) 2.483 2.980 ( -1.806 -1.585 1.552) 2.861 3.037 ( -1.810 -0.542 2.443) 3.088 3.098 ( 0.499 -1.332 -1.198) 1.860 3.128 ( 3.093 -1.416 1.453) 3.699 3.332 ( 6.435 6.310 4.836) 10.228 3.471 ( 4.265 1.303 2.312) 5.023 3.536 ( 0.187 -0.444 1.090) 1.192 3.611 ( 1.946 1.025 -1.414) 2.615 3.668 ( 0.218 -0.030 -0.133) 0.257 3.763 ( -0.487 -1.624 -2.532) 3.047 3.801 ( 0.402 -1.096 -0.470) 1.258 3.855 ( -0.058 0.675 1.865) 1.984 3.916 ( -2.335 -0.088 3.624) 4.312 4.034 ( -0.507 4.947 -3.697) 6.197 4.127 ( -0.045 -4.924 2.115) 5.359 4.337 ( -0.492 2.195 1.547) 2.730 4.378 ( 2.309 -0.923 -5.937) 6.437 4.480 ( -0.583 1.048 -1.707) 2.086 4.622 ( 0.559 -3.262 3.938) 5.144 4.743 ( 1.193 -5.003 0.049) 5.144 5.573 ( -2.264 1.992 2.088) 3.668 5.752 ( 0.563 -2.597 -0.443) 2.695 5.758 ( 0.736 0.201 -1.176) 1.402 5.804 ( -1.091 0.843 -1.320) 1.909 5.873 ( 0.974 0.374 -1.421) 1.762 5.952 ( -2.263 -1.949 0.927) 3.127 6.034 ( -1.323 1.931 -0.049) 2.341 6.078 ( 3.509 0.529 -2.148) 4.148 6.158 ( -1.618 2.212 5.938) 6.540 6.292 ( -2.419 0.806 -2.075) 3.287 6.368 ( 4.718 -1.011 -0.461) 4.847 6.533 ( 3.105 -5.162 -4.790) 7.696 6.712 ( 1.793 0.497 1.365) 2.307 6.783 ( 1.429 -0.562 -0.826) 1.744 7.046 ( -0.439 1.144 -0.155) 1.235 7.217 ( 0.553 -3.667 -0.922) 3.822 7.610 ( 0.456 0.460 0.085) 0.654 7.662 ( -0.320 0.460 1.110) 1.243 7.717 ( 0.795 -0.069 0.981) 1.265 7.742 ( -1.266 0.072 2.665) 2.951 7.782 ( -2.155 2.566 3.012) 4.506 7.895 ( 0.755 -0.587 1.328) 1.636 8.154 ( -0.837 1.053 1.328) 1.891 8.282 ( 0.122 -1.833 -1.286) 2.242 13.080 ( 6.804 2.150 0.786) 7.178 13.263 ( 7.040 -1.329 -4.060) 8.235 13.569 ( -1.591 0.509 2.565) 3.061 13.842 ( -3.755 -4.870 -14.202) 15.476 15.690 ( 1.390 3.605 2.251) 4.472 15.796 ( 3.198 1.305 -2.956) 4.546 16.381 ( -8.961 -1.929 0.790) 9.200 16.396 ( -5.779 -1.712 3.176) 6.813 16.841 ( -2.743 4.122 0.892) 5.031 17.204 ( 0.989 -5.242 -1.906) 5.665 18.345 ( -3.859 6.424 3.391) 8.225 18.774 ( -1.441 -4.632 -3.770) 6.143 19.996 ( -1.396 1.073 0.422) 1.811 20.092 ( 0.378 -1.057 0.455) 1.211 20.284 ( -1.471 0.418 0.559) 1.628 20.351 ( -0.284 -0.911 -0.338) 1.012 21.341 ( -0.233 0.415 -0.167) 0.504 21.360 ( 1.187 0.366 -0.144) 1.250 22.088 ( -2.084 0.915 2.526) 3.400 22.311 ( 3.483 -4.976 -4.280) 7.431 23.025 ( 1.812 -0.655 0.576) 2.011 23.033 ( 1.694 0.129 -4.093) 4.431 23.163 ( -2.650 0.414 2.215) 3.479 23.283 ( -1.280 -2.391 2.027) 3.386 45.586 ( 0.029 2.427 0.706) 2.528 45.698 ( 0.857 -0.544 -0.287) 1.055 46.524 ( 1.379 -1.896 -0.983) 2.542 46.629 ( 3.630 -2.636 -1.083) 4.615 46.826 ( -2.765 2.849 1.002) 4.094 46.942 ( 0.462 2.068 0.571) 2.195 47.596 ( -2.229 0.828 0.367) 2.406 47.715 ( -1.497 -1.813 -1.873) 3.006 95.693 ( 0.327 0.547 2.316) 2.402 95.725 ( -1.907 -0.087 -2.389) 3.058 95.941 ( -1.920 0.899 1.201) 2.437 95.990 ( -0.434 0.029 2.427) 2.465 96.094 ( 0.624 -0.727 -0.561) 1.110 96.167 ( -2.375 1.667 3.208) 4.326 96.300 ( -2.732 -1.978 -3.473) 4.841 96.558 ( 5.606 -8.498 -4.916) 11.306 98.452 ( -1.002 2.269 1.391) 2.844 98.636 ( -0.700 -1.954 -2.565) 3.300 99.241 ( -0.435 4.413 -0.323) 4.447 99.379 ( 4.173 -0.347 -1.411) 4.418 104.718 ( 0.318 0.338 -0.268) 0.536 104.741 ( 0.416 0.673 -0.047) 0.793 104.835 ( -0.664 2.253 0.797) 2.480 104.983 ( 2.217 -1.355 1.374) 2.940 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -17.162 6.066 6.909) 19.470 0.734 ( -16.044 10.997 -0.968) 19.475 1.021 ( -9.853 -2.790 4.887) 11.347 1.326 ( -21.888 15.324 -12.846) 29.646 1.364 ( -7.111 -4.460 -2.467) 8.749 1.547 ( -7.302 -3.233 -4.089) 8.972 1.760 ( -6.137 -8.115 0.537) 10.189 2.108 ( 6.329 1.811 -2.149) 6.924 2.228 ( 4.073 -0.236 2.623) 4.851 2.290 ( 3.521 -0.207 -5.101) 6.202 2.458 ( 4.601 -1.245 5.409) 7.209 2.588 ( 5.672 -3.419 5.870) 8.850 2.671 ( -3.291 2.088 1.381) 4.134 2.780 ( 1.677 -0.914 0.037) 1.910 2.891 ( 3.361 2.602 0.813) 4.328 2.908 ( 0.356 -1.102 0.492) 1.258 2.954 ( -1.914 -1.388 -0.172) 2.370 3.044 ( -1.053 -1.027 -0.755) 1.653 3.079 ( -1.482 -0.374 3.207) 3.553 3.156 ( 0.603 -4.473 -2.406) 5.114 3.490 ( 4.935 4.357 -1.487) 6.749 3.537 ( 2.616 5.002 -0.424) 5.660 3.568 ( 5.376 0.614 1.696) 5.671 3.618 ( 2.686 1.274 -1.022) 3.143 3.697 ( -1.491 1.756 2.173) 3.167 3.731 ( 3.807 -1.587 -2.425) 4.785 3.783 ( 0.696 -1.487 -3.161) 3.562 3.871 ( 0.342 -1.648 -0.221) 1.697 3.961 ( -2.441 2.558 6.678) 7.556 4.004 ( 0.505 3.621 0.012) 3.656 4.162 ( -1.439 -3.453 4.125) 5.569 4.312 ( 0.247 -2.166 -3.416) 4.052 4.354 ( 0.537 3.702 -0.656) 3.798 4.463 ( 2.331 6.131 -0.925) 6.624 4.713 ( 1.443 -4.098 4.984) 6.612 4.771 ( 1.762 -3.136 2.924) 4.636 5.577 ( -1.786 2.019 2.385) 3.599 5.746 ( 1.341 -1.149 -2.231) 2.845 5.767 ( 0.784 -0.903 0.438) 1.273 5.789 ( -0.309 0.312 0.500) 0.666 5.868 ( 0.894 0.657 -1.106) 1.567 5.931 ( -2.149 -1.433 1.161) 2.832 6.015 ( -1.362 2.371 0.356) 2.758 6.084 ( 2.002 -0.156 -2.341) 3.084 6.187 ( -2.825 0.574 -1.169) 3.111 6.246 ( -0.962 3.074 3.163) 4.514 6.437 ( 3.559 -1.757 0.986) 4.090 6.488 ( 3.264 -8.663 -10.806) 14.229 6.733 ( 0.724 -0.709 -2.129) 2.358 6.800 ( 1.044 -0.792 1.227) 1.795 7.019 ( -2.245 2.380 -0.017) 3.272 7.212 ( 1.185 -2.174 -1.578) 2.936 7.614 ( 0.445 -0.378 -0.104) 0.593 7.668 ( -0.336 0.078 -0.052) 0.348 7.743 ( 1.012 1.669 0.564) 2.032 7.765 ( -1.841 -0.319 3.971) 4.388 7.800 ( -2.050 1.492 4.150) 4.863 7.923 ( 0.746 -1.590 0.344) 1.790 8.135 ( -2.714 1.112 0.223) 2.942 8.265 ( 0.289 -1.838 -1.215) 2.222 13.200 ( 8.216 2.418 -0.781) 8.600 13.268 ( 6.538 0.211 -9.633) 11.645 13.584 ( -3.584 -3.684 -4.397) 6.764 13.654 ( -2.471 -1.572 4.721) 5.555 15.744 ( 2.182 0.667 1.364) 2.658 15.838 ( 3.805 2.434 1.892) 4.897 16.280 ( -11.111 -2.164 8.531) 14.175 16.387 ( -4.584 -2.344 4.926) 7.125 16.821 ( -2.474 4.178 1.699) 5.144 17.196 ( 1.235 -5.227 -1.564) 5.594 18.354 ( -4.892 4.317 7.551) 9.979 18.697 ( -1.483 -3.546 -3.671) 5.315 19.974 ( -1.518 0.922 -0.370) 1.814 20.091 ( -0.205 -1.602 -0.780) 1.794 20.262 ( -2.294 -0.091 -0.001) 2.296 20.345 ( -0.219 -1.009 0.044) 1.033 21.331 ( -0.570 0.799 -0.178) 0.998 21.382 ( 1.560 -0.356 0.016) 1.600 22.081 ( -2.876 0.210 2.169) 3.609 22.246 ( 0.459 -6.022 -10.222) 11.872 22.999 ( 1.982 0.791 -4.177) 4.690 23.062 ( -0.277 -4.616 1.723) 4.935 23.153 ( -2.890 0.048 2.414) 3.766 23.271 ( -2.913 -3.439 0.610) 4.548 45.602 ( 0.899 3.020 0.827) 3.257 45.706 ( 0.839 -0.619 -0.346) 1.099 46.544 ( 2.775 -0.118 -0.375) 2.803 46.666 ( 3.358 -2.259 -0.998) 4.168 46.785 ( -3.691 3.054 0.383) 4.806 46.937 ( -0.255 0.777 -1.775) 1.954 47.569 ( -2.382 0.757 0.711) 2.598 47.671 ( -1.255 -1.513 -1.259) 2.334 95.650 ( -2.338 0.950 -2.813) 3.780 95.711 ( -0.732 -0.233 0.520) 0.928 95.928 ( -2.483 -0.361 1.590) 2.970 96.020 ( -0.242 0.183 2.185) 2.206 96.093 ( 1.101 -0.832 -1.065) 1.744 96.165 ( -6.244 -6.752 1.074) 9.259 96.221 ( 0.529 1.765 -3.013) 3.532 96.503 ( -1.287 -12.179 -7.499) 14.360 98.457 ( -1.094 1.763 1.491) 2.555 98.597 ( -0.352 -1.392 -1.622) 2.166 99.273 ( 4.912 9.110 0.053) 10.350 99.438 ( 2.261 0.010 4.786) 5.293 104.721 ( 0.390 0.388 -0.014) 0.551 104.748 ( 0.354 0.415 0.131) 0.561 104.849 ( 1.504 4.987 0.819) 5.273 105.029 ( 2.379 -1.301 -0.163) 2.717 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -8.994 15.324 2.956) 18.013 0.559 ( -16.938 10.480 14.441) 24.602 0.866 ( -18.033 22.134 6.308) 29.239 0.982 ( -11.101 1.265 10.130) 15.082 1.267 ( -3.841 -5.663 0.363) 6.853 1.499 ( -1.321 -4.691 1.459) 5.087 1.702 ( -4.925 -7.789 2.551) 9.562 2.157 ( 5.504 -0.743 -3.477) 6.553 2.265 ( 2.472 1.241 -3.486) 4.450 2.311 ( 5.756 -2.209 -0.842) 6.223 2.519 ( -3.602 0.846 1.129) 3.868 2.652 ( 0.780 -4.928 0.386) 5.004 2.688 ( -0.799 0.201 2.225) 2.372 2.857 ( 2.831 -3.030 3.312) 5.307 2.862 ( -2.112 -1.677 -4.871) 5.568 2.936 ( 1.189 2.377 -0.030) 2.658 2.949 ( 1.925 2.236 -0.841) 3.069 3.035 ( -0.279 -1.642 1.049) 1.968 3.062 ( -4.186 -3.198 -4.712) 7.068 3.126 ( -0.752 -3.730 5.344) 6.560 3.475 ( 2.169 2.442 -3.985) 5.153 3.559 ( 2.653 0.316 -2.443) 3.620 3.586 ( 2.389 1.752 -5.426) 6.182 3.619 ( 1.966 1.144 -4.006) 4.607 3.704 ( -0.491 2.391 -0.215) 2.450 3.781 ( 2.145 -2.801 -0.619) 3.582 3.832 ( 4.266 0.812 1.115) 4.483 3.881 ( 2.090 0.037 1.936) 2.849 3.998 ( -0.663 3.158 1.809) 3.699 4.046 ( -0.087 5.850 4.337) 7.283 4.177 ( -3.905 -3.236 3.292) 6.047 4.303 ( 1.502 -2.128 0.254) 2.617 4.349 ( 0.677 3.853 -1.137) 4.074 4.518 ( 5.319 10.650 -2.135) 12.094 4.736 ( 1.997 -6.196 -3.121) 7.220 4.959 ( 5.113 -4.201 4.752) 8.147 5.575 ( -1.901 1.802 1.033) 2.816 5.731 ( 1.629 -0.679 -2.897) 3.392 5.788 ( 0.792 -0.885 0.627) 1.343 5.806 ( -0.763 -0.743 2.075) 2.333 5.874 ( 0.749 0.232 -0.768) 1.098 5.924 ( -1.725 -1.443 2.691) 3.507 6.009 ( -0.114 1.869 3.043) 3.573 6.090 ( 2.952 0.095 -0.490) 2.994 6.124 ( -0.292 0.801 -1.685) 1.888 6.244 ( -5.474 -1.772 -9.932) 11.478 6.305 ( -1.821 2.003 3.074) 4.096 6.498 ( 0.936 -2.578 2.532) 3.733 6.716 ( 0.795 0.995 -0.607) 1.411 6.831 ( -0.204 -1.269 1.450) 1.938 7.007 ( -2.008 0.946 3.352) 4.020 7.209 ( 2.382 -1.568 -2.748) 3.961 7.615 ( 0.775 0.505 -1.557) 1.811 7.661 ( -0.595 -0.933 0.566) 1.243 7.747 ( -1.392 1.781 0.225) 2.271 7.801 ( -0.170 0.138 2.709) 2.718 7.851 ( 0.026 -1.779 5.410) 5.695 7.901 ( -3.398 -4.113 -1.009) 5.429 8.104 ( -2.317 1.716 1.498) 3.249 8.261 ( 0.682 -1.960 -0.403) 2.114 13.252 ( 5.210 0.170 -2.704) 5.872 13.313 ( 8.176 -0.930 5.674) 9.995 13.503 ( -3.722 0.728 3.639) 5.256 13.752 ( -1.735 -1.651 9.216) 9.522 15.792 ( 1.883 -0.631 1.248) 2.346 15.945 ( 3.286 3.550 3.628) 6.047 16.332 ( -12.846 -16.064 22.089) 30.182 16.382 ( -5.371 -2.775 4.485) 7.527 16.814 ( -2.115 4.443 2.173) 5.379 17.202 ( 1.517 -4.968 -0.213) 5.199 18.401 ( -9.475 -5.540 10.918) 15.481 18.646 ( 0.891 -3.442 -2.551) 4.376 19.948 ( -0.508 0.858 -0.719) 1.230 20.063 ( -0.723 -2.520 -1.991) 3.292 20.205 ( -3.721 1.679 -0.873) 4.175 20.346 ( -0.002 -1.401 0.201) 1.415 21.325 ( -0.404 0.889 0.527) 1.109 21.403 ( 0.973 -1.086 0.149) 1.466 22.075 ( -2.738 -0.393 -2.303) 3.599 22.077 ( -2.653 -0.046 3.677) 4.534 22.978 ( 2.763 1.133 -3.617) 4.691 23.027 ( -7.690 -7.603 0.941) 10.855 23.143 ( -3.564 -1.355 2.548) 4.586 23.230 ( -1.569 -2.210 -0.085) 2.712 45.636 ( 2.636 3.067 -0.501) 4.075 45.708 ( 0.330 -0.666 -0.971) 1.223 46.588 ( 2.838 1.045 -0.123) 3.026 46.719 ( 4.591 -0.047 0.526) 4.621 46.742 ( -2.167 2.576 -0.067) 3.367 46.886 ( -1.882 0.014 -1.515) 2.416 47.548 ( -1.819 0.921 0.875) 2.218 47.644 ( -0.384 -1.348 -0.708) 1.570 95.595 ( -0.640 0.743 -1.448) 1.748 95.688 ( -1.109 -1.596 -1.652) 2.551 95.894 ( -11.702 -4.134 -9.755) 15.786 95.914 ( -2.989 -1.836 0.690) 3.575 96.045 ( -0.405 1.231 1.729) 2.161 96.116 ( 0.046 -0.704 1.828) 1.960 96.210 ( 0.083 1.809 -1.134) 2.136 96.447 ( -4.415 -11.092 10.559) 15.938 98.459 ( -1.192 1.553 1.071) 2.232 98.579 ( 0.241 -1.232 -0.867) 1.526 99.318 ( 5.372 10.323 -6.003) 13.094 99.688 ( 5.145 -8.328 20.662) 22.864 104.728 ( 0.266 0.322 0.187) 0.457 104.752 ( -0.135 -0.150 0.159) 0.257 104.915 ( 7.222 7.089 -2.343) 10.388 105.031 ( 0.594 -0.489 -2.821) 2.924 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 1.162 14.528 9.856) 17.594 0.869 ( -6.540 8.840 19.383) 22.285 0.972 ( -6.616 -3.489 14.581) 16.387 1.075 ( 3.369 -10.663 9.460) 14.647 1.424 ( -0.519 6.180 1.598) 6.405 1.482 ( 2.604 1.761 4.793) 5.732 1.606 ( -0.873 10.894 7.569) 13.294 1.983 ( 1.926 -18.325 1.507) 18.487 2.282 ( 1.132 1.889 -3.569) 4.193 2.318 ( 1.831 -2.331 -2.558) 3.915 2.484 ( -1.574 2.693 -2.506) 4.001 2.549 ( -0.396 -4.378 -1.791) 4.747 2.720 ( -1.345 1.739 1.406) 2.610 2.751 ( 0.238 -0.976 -1.658) 1.939 2.850 ( -1.513 0.931 -2.728) 3.255 2.891 ( -2.424 -2.421 -3.618) 4.982 2.996 ( -0.427 2.698 -0.692) 2.818 3.008 ( -1.145 1.712 0.670) 2.165 3.078 ( 1.566 0.370 2.919) 3.333 3.126 ( 2.225 -4.176 2.727) 5.461 3.500 ( 1.780 2.341 -3.557) 4.616 3.538 ( 1.361 -1.611 -2.791) 3.498 3.601 ( 1.701 1.716 -2.459) 3.448 3.617 ( 1.020 -0.231 -0.607) 1.209 3.715 ( -1.484 1.928 0.998) 2.629 3.754 ( 0.747 -2.400 0.074) 2.515 3.857 ( 2.306 2.810 -3.243) 4.871 3.919 ( 2.174 -2.009 -0.859) 3.082 4.008 ( -3.619 0.328 -1.569) 3.958 4.027 ( -3.008 -2.396 -5.001) 6.308 4.234 ( -2.298 4.759 5.677) 7.757 4.304 ( 0.457 -2.846 3.059) 4.203 4.424 ( -0.628 6.482 -2.428) 6.951 4.554 ( -0.232 -6.384 -4.068) 7.573 4.664 ( 0.449 5.083 -7.964) 9.459 4.749 ( -5.099 -3.492 -7.965) 10.081 5.603 ( -0.461 3.605 -1.181) 3.822 5.675 ( 0.524 -3.867 -1.415) 4.150 5.793 ( -0.238 1.081 0.292) 1.145 5.805 ( 0.214 -0.315 0.981) 1.053 5.872 ( -1.164 -0.054 0.061) 1.167 5.883 ( -1.505 -1.039 -0.489) 1.893 6.061 ( 0.061 1.271 0.103) 1.277 6.088 ( 1.125 -1.359 -0.650) 1.881 6.175 ( 1.967 3.186 1.144) 3.915 6.239 ( 3.880 -3.278 3.249) 6.030 6.451 ( 0.398 1.231 6.819) 6.941 6.495 ( 0.443 -2.854 5.619) 6.318 6.745 ( -1.206 1.765 0.725) 2.257 6.787 ( -2.420 -2.510 1.110) 3.660 7.067 ( 0.756 3.346 0.210) 3.436 7.140 ( 1.463 -4.020 -2.201) 4.811 7.617 ( 0.626 0.853 -0.828) 1.343 7.636 ( -0.075 -1.172 -0.259) 1.203 7.745 ( -2.486 2.117 -0.466) 3.298 7.785 ( -3.266 -1.984 -0.010) 3.821 7.847 ( 0.397 1.387 1.008) 1.760 7.875 ( 0.905 -1.640 1.192) 2.220 8.159 ( -0.236 3.122 1.721) 3.573 8.220 ( 0.278 -3.260 0.763) 3.360 13.322 ( 5.624 3.772 -0.706) 6.809 13.410 ( 5.959 -5.328 2.585) 8.402 13.592 ( -5.568 3.332 8.126) 10.399 13.705 ( -6.662 -7.373 5.762) 11.486 15.892 ( -1.330 5.156 6.723) 8.576 16.020 ( -2.367 -8.077 9.546) 12.726 16.174 ( -8.751 5.035 3.034) 10.542 16.271 ( -5.837 -4.624 1.456) 7.588 16.940 ( -1.170 7.879 2.106) 8.239 17.093 ( -0.505 -8.171 1.375) 8.301 18.389 ( -1.358 7.068 -0.515) 7.216 18.524 ( 1.877 -6.749 -2.629) 7.483 19.972 ( 0.925 1.752 -0.146) 1.987 20.010 ( 1.361 -2.340 -0.288) 2.722 20.245 ( -0.155 3.099 0.978) 3.253 20.304 ( -0.313 -3.034 0.632) 3.115 21.357 ( 0.019 1.443 1.074) 1.799 21.387 ( 0.134 -1.731 0.762) 1.896 22.118 ( -1.125 2.025 6.135) 6.558 22.179 ( 2.955 -5.135 9.248) 10.983 22.951 ( 0.871 2.999 -1.055) 3.296 22.996 ( 3.564 -1.013 -2.429) 4.430 23.123 ( -2.376 1.035 2.210) 3.406 23.170 ( -0.835 -3.239 0.666) 3.410 45.668 ( -0.222 1.310 -1.062) 1.701 45.687 ( 0.161 -0.877 -0.554) 1.050 46.673 ( 1.298 2.857 0.779) 3.233 46.716 ( -0.575 -1.124 -0.562) 1.382 46.779 ( -0.489 2.583 0.417) 2.662 46.840 ( 0.802 -3.818 0.401) 3.921 47.570 ( -0.082 1.931 0.432) 1.980 47.608 ( 0.535 -2.072 0.006) 2.140 95.626 ( 2.562 1.448 0.522) 2.989 95.656 ( 2.425 -1.619 0.033) 2.916 95.817 ( -0.393 2.196 1.237) 2.551 95.862 ( -1.226 -2.567 1.307) 3.130 96.106 ( -0.282 1.974 3.379) 3.923 96.134 ( -0.441 -1.061 3.435) 3.622 96.262 ( 0.922 4.106 0.495) 4.237 96.373 ( 0.824 -8.331 4.489) 9.499 98.493 ( -0.675 2.661 0.540) 2.798 98.543 ( 0.152 -2.548 0.287) 2.569 99.467 ( -1.026 8.602 -0.466) 8.676 99.632 ( -4.223 -9.790 3.844) 11.334 104.738 ( -0.162 0.372 0.253) 0.477 104.745 ( -0.223 -0.354 0.197) 0.463 104.966 ( -0.015 2.812 -4.801) 5.564 105.002 ( 1.006 -1.354 -3.469) 3.858 ======================= Grid point 76 (40/108) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.767 10.276 13.953) 17.346 1.053 ( -1.254 9.067 13.730) 16.501 1.081 ( -5.283 -1.521 13.349) 14.436 1.270 ( 3.395 -10.053 6.662) 12.529 1.505 ( 5.400 -0.053 3.858) 6.637 1.587 ( 2.081 -7.378 4.251) 8.766 1.859 ( 10.253 14.357 16.693) 24.289 2.052 ( 0.872 -3.937 -1.357) 4.255 2.173 ( -6.756 -1.058 -10.472) 12.507 2.182 ( -1.157 -2.541 -3.713) 4.646 2.487 ( 1.958 1.795 1.547) 3.074 2.550 ( 0.997 -4.654 0.956) 4.854 2.716 ( 1.323 3.725 0.073) 3.953 2.747 ( 0.815 -0.408 -0.691) 1.144 2.789 ( -0.287 -0.501 -4.915) 4.949 2.823 ( -1.117 -3.105 -2.264) 4.002 2.983 ( -0.092 3.190 0.142) 3.195 3.004 ( -0.672 1.689 1.329) 2.252 3.115 ( -0.432 0.136 0.537) 0.703 3.163 ( -1.177 -3.970 0.181) 4.144 3.460 ( 0.119 2.820 -4.246) 5.098 3.495 ( -0.145 -0.955 -4.096) 4.208 3.587 ( -0.904 2.455 -1.859) 3.209 3.629 ( 1.238 -1.891 -0.772) 2.388 3.723 ( 0.323 4.683 1.031) 4.806 3.769 ( 0.067 0.107 0.889) 0.898 3.835 ( -0.456 1.105 -2.262) 2.558 3.853 ( -6.493 0.914 -2.285) 6.944 3.918 ( -3.736 -2.584 -0.606) 4.583 3.951 ( 1.860 -6.810 -2.642) 7.537 4.270 ( -1.568 5.486 3.499) 6.693 4.335 ( 1.849 0.927 -3.010) 3.652 4.375 ( -1.931 1.320 1.088) 2.580 4.472 ( 0.303 -4.606 -5.769) 7.389 4.577 ( -0.147 2.086 -3.301) 3.908 4.637 ( -0.373 -3.687 -2.999) 4.768 5.588 ( 0.099 4.020 -0.341) 4.035 5.670 ( 0.425 -4.647 -0.369) 4.681 5.797 ( 0.617 1.744 0.302) 1.874 5.819 ( -0.426 -0.700 0.575) 1.001 5.854 ( -0.478 0.294 0.953) 1.106 5.875 ( 0.552 -1.512 -0.477) 1.679 6.050 ( 0.627 2.154 -2.085) 3.063 6.087 ( 0.906 -1.408 -1.633) 2.339 6.223 ( -0.148 3.716 2.656) 4.570 6.301 ( 0.053 -3.468 1.716) 3.870 6.518 ( -2.747 1.953 5.341) 6.316 6.576 ( -1.478 -3.530 4.133) 5.632 6.742 ( 0.036 0.201 0.817) 0.842 6.759 ( -2.369 -1.507 0.695) 2.893 7.077 ( 0.883 2.074 -0.910) 2.431 7.128 ( 1.472 -2.921 -2.715) 4.251 7.617 ( 0.912 0.513 -1.087) 1.508 7.626 ( 0.088 -0.412 -0.979) 1.066 7.718 ( -1.448 1.724 0.748) 2.373 7.751 ( -2.082 -1.661 0.728) 2.761 7.844 ( -1.219 1.985 -0.373) 2.359 7.879 ( -0.748 -1.686 -0.632) 1.950 8.182 ( 0.040 2.733 1.318) 3.034 8.237 ( 0.407 -3.052 0.724) 3.163 13.342 ( -2.508 6.339 -2.471) 7.252 13.428 ( -2.498 -1.495 -2.261) 3.686 13.636 ( -4.191 1.071 7.171) 8.375 13.758 ( 1.781 -11.122 10.130) 15.149 15.943 ( -7.186 6.324 6.926) 11.815 16.046 ( -11.212 -2.771 8.065) 14.086 16.173 ( 4.882 -0.240 2.369) 5.432 16.216 ( -0.444 -3.169 0.646) 3.265 16.950 ( -1.198 7.726 1.956) 8.059 17.097 ( -0.664 -7.527 0.603) 7.581 18.389 ( 2.566 8.450 -0.946) 8.881 18.543 ( 5.016 -7.615 -2.107) 9.358 19.988 ( 1.269 2.025 -0.226) 2.401 20.026 ( 1.526 -1.907 -0.902) 2.603 20.265 ( 0.649 2.035 0.970) 2.346 20.312 ( 0.170 -2.676 0.524) 2.732 21.372 ( -0.439 1.146 1.251) 1.752 21.396 ( -0.676 -1.363 0.897) 1.766 22.179 ( -2.575 5.208 5.463) 7.975 22.316 ( -1.214 -9.827 6.266) 11.717 22.973 ( 3.877 3.666 -1.584) 5.566 23.026 ( 4.450 -1.177 -2.174) 5.091 23.128 ( -1.377 0.614 2.252) 2.710 23.171 ( -0.160 -3.150 0.422) 3.182 45.648 ( -0.743 2.114 -0.478) 2.291 45.681 ( -0.036 -1.448 -0.502) 1.533 46.653 ( -4.234 2.534 1.206) 5.079 46.702 ( -2.888 -2.568 1.238) 4.058 46.797 ( 2.548 3.923 -0.206) 4.682 46.869 ( 2.788 -3.716 -1.138) 4.783 47.584 ( 1.010 2.220 0.538) 2.497 47.628 ( 1.754 -2.355 0.286) 2.951 95.670 ( 1.781 0.628 -0.980) 2.128 95.678 ( 2.033 -0.107 -0.779) 2.180 95.854 ( 2.343 0.666 0.667) 2.525 95.878 ( 0.904 -1.794 0.838) 2.177 96.155 ( 0.219 2.793 3.192) 4.247 96.181 ( -0.806 -0.222 4.448) 4.526 96.291 ( 1.520 4.674 0.689) 4.963 96.443 ( 1.219 -11.354 2.165) 11.622 98.496 ( -0.277 3.321 0.891) 3.450 98.559 ( 0.871 -3.169 0.790) 3.381 99.432 ( -3.641 7.598 1.024) 8.488 99.571 ( -7.227 -7.493 1.193) 10.478 104.739 ( -0.316 0.299 0.325) 0.543 104.744 ( -0.256 -0.287 0.170) 0.421 104.899 ( -0.587 3.602 -3.283) 4.909 104.952 ( -0.181 -2.172 -3.848) 4.422 ======================= Grid point 77 (41/108) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -3.579 3.240 11.614) 12.577 1.170 ( -2.432 0.799 7.299) 7.735 1.209 ( 0.257 7.954 8.641) 11.748 1.376 ( 1.259 -5.128 4.565) 6.980 1.616 ( 2.124 -1.763 2.993) 4.072 1.688 ( 1.909 -6.622 5.155) 8.606 1.815 ( -7.987 2.587 -14.095) 16.406 1.866 ( -7.896 -2.694 -11.793) 14.446 2.280 ( 10.257 6.794 10.277) 16.031 2.347 ( 10.564 0.313 9.509) 14.217 2.545 ( 0.662 0.403 3.683) 3.764 2.572 ( -0.474 -2.511 1.673) 3.054 2.705 ( -0.364 1.295 -4.097) 4.312 2.735 ( 1.541 -0.749 -2.910) 3.377 2.776 ( 3.630 1.198 -0.071) 3.823 2.811 ( 2.530 -1.765 0.414) 3.113 2.992 ( -0.206 3.580 0.512) 3.622 3.030 ( 1.106 2.331 1.088) 2.800 3.075 ( -2.935 -2.671 -1.734) 4.330 3.105 ( -3.270 -2.885 -2.014) 4.804 3.391 ( -2.666 3.771 -2.565) 5.283 3.429 ( -1.185 -0.733 -3.221) 3.510 3.514 ( -3.629 4.793 -1.981) 6.330 3.612 ( -0.901 -4.233 -1.827) 4.698 3.721 ( -0.571 4.805 -0.351) 4.852 3.766 ( -1.373 0.701 2.593) 3.016 3.817 ( -0.253 -1.142 2.556) 2.811 3.845 ( 0.648 -3.313 2.420) 4.154 3.880 ( -0.261 0.629 -0.091) 0.687 3.958 ( 2.052 -6.387 -1.535) 6.882 4.280 ( 1.406 5.518 -2.874) 6.379 4.298 ( 0.963 2.224 -3.289) 4.086 4.384 ( -0.592 -1.330 1.387) 2.011 4.427 ( 0.906 -2.381 -1.973) 3.223 4.556 ( 1.061 0.194 -1.032) 1.493 4.619 ( 0.827 -4.761 -0.521) 4.860 5.599 ( 0.588 3.780 1.203) 4.010 5.677 ( 0.422 -4.411 0.456) 4.455 5.815 ( 1.373 1.960 -0.206) 2.402 5.832 ( 0.924 0.199 1.612) 1.869 5.873 ( 0.356 -0.675 0.355) 0.841 5.883 ( 0.263 -1.495 1.459) 2.106 6.025 ( 1.481 2.569 -3.457) 4.554 6.069 ( 0.644 -1.663 -2.410) 2.998 6.236 ( -3.071 2.943 2.336) 4.853 6.299 ( -2.493 -3.198 0.519) 4.088 6.520 ( -4.486 2.452 2.690) 5.777 6.567 ( -3.694 -2.632 1.817) 4.886 6.744 ( -1.372 0.764 1.058) 1.893 6.770 ( 0.627 -1.875 1.519) 2.493 7.064 ( 0.094 1.769 -2.025) 2.690 7.108 ( 1.081 -2.748 -2.691) 3.995 7.604 ( 0.257 1.268 -1.408) 1.912 7.625 ( 0.655 -0.998 -0.366) 1.249 7.716 ( -0.913 1.422 1.302) 2.133 7.741 ( -1.049 -1.153 1.075) 1.893 7.812 ( -1.865 2.169 -0.580) 2.919 7.850 ( -1.561 -1.771 -0.499) 2.413 8.188 ( -0.858 2.872 0.312) 3.014 8.246 ( -0.014 -3.182 0.005) 3.182 13.220 ( -7.629 3.969 -1.759) 8.778 13.299 ( -8.143 -3.937 -2.762) 9.458 13.736 ( 3.132 9.715 6.459) 12.080 13.951 ( 5.200 -12.572 8.187) 15.879 15.873 ( -8.282 6.826 2.279) 10.972 15.982 ( -9.089 -4.563 4.116) 10.971 16.272 ( 5.507 3.008 3.455) 7.163 16.344 ( 4.599 -4.480 7.267) 9.697 16.963 ( -0.362 7.133 1.585) 7.316 17.097 ( 0.219 -6.920 0.060) 6.923 18.431 ( 4.243 9.387 -0.516) 10.315 18.605 ( 6.132 -8.741 -1.352) 10.763 19.998 ( 0.855 1.860 -0.654) 2.149 20.028 ( 1.007 -1.306 -1.360) 2.137 20.287 ( 0.665 1.487 0.686) 1.767 20.322 ( 0.478 -2.090 0.206) 2.154 21.375 ( -1.128 0.725 0.831) 1.577 21.390 ( -1.440 -0.830 0.594) 1.765 22.184 ( -4.444 6.242 2.705) 8.126 22.323 ( -4.902 -8.536 2.261) 10.100 23.003 ( 3.454 3.530 -2.164) 5.392 23.057 ( 3.661 -1.400 -2.214) 4.501 23.142 ( -0.936 0.095 2.044) 2.250 23.174 ( -0.011 -2.602 0.184) 2.608 45.634 ( -0.728 2.364 -0.016) 2.474 45.673 ( -0.173 -1.772 -0.340) 1.812 46.606 ( -4.177 1.828 1.088) 4.687 46.658 ( -4.501 -3.558 0.677) 5.778 46.831 ( 2.328 3.761 -0.520) 4.454 46.885 ( 1.855 -1.880 -1.447) 3.011 47.613 ( 1.809 2.599 0.516) 3.209 47.666 ( 2.575 -2.873 0.369) 3.875 95.657 ( 0.208 1.629 -1.951) 2.550 95.689 ( 1.275 -1.825 -1.627) 2.758 95.895 ( 1.946 0.194 0.524) 2.024 95.904 ( 1.340 -0.666 0.529) 1.587 96.193 ( 0.195 4.810 1.424) 5.020 96.225 ( -1.378 1.659 3.625) 4.218 96.325 ( 1.814 1.755 0.789) 2.644 96.455 ( -0.383 -10.182 -1.189) 10.258 98.510 ( 0.125 4.303 1.164) 4.459 98.590 ( 1.525 -4.002 0.979) 4.394 99.400 ( -3.951 4.286 2.527) 6.354 99.479 ( -6.132 -4.148 0.418) 7.416 104.738 ( -0.380 0.211 0.311) 0.534 104.742 ( -0.282 -0.203 0.094) 0.360 104.860 ( -0.087 2.520 -1.546) 2.958 104.901 ( -0.145 -1.776 -2.747) 3.275 ======================= Grid point 78 (42/108) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -2.672 1.522 1.965) 3.649 1.220 ( -3.720 -1.182 4.617) 6.046 1.304 ( -0.346 6.439 3.994) 7.585 1.424 ( -2.274 -5.270 2.310) 6.187 1.533 ( -3.250 4.946 -9.969) 11.594 1.616 ( -4.087 -3.247 -7.515) 9.150 1.688 ( 0.896 1.568 3.032) 3.529 1.772 ( -0.183 -5.773 3.578) 6.794 2.450 ( 3.119 3.568 2.297) 5.266 2.503 ( 0.953 -2.155 -1.398) 2.740 2.592 ( 0.157 0.862 1.382) 1.636 2.626 ( 1.626 -2.279 0.771) 2.904 2.738 ( 2.229 1.509 1.260) 2.972 2.742 ( 3.764 0.713 4.636) 6.014 2.835 ( 2.396 1.488 -2.833) 3.997 2.859 ( 5.265 -0.381 1.149) 5.402 2.961 ( -0.768 2.252 -1.609) 2.873 3.020 ( -0.379 -2.625 0.318) 2.672 3.057 ( -0.186 1.299 -1.012) 1.657 3.077 ( 1.587 -1.069 0.729) 2.048 3.317 ( -3.878 5.041 -0.529) 6.382 3.379 ( -1.512 -1.807 -1.371) 2.726 3.463 ( -1.980 4.886 1.204) 5.408 3.580 ( -1.302 -6.505 0.529) 6.655 3.725 ( 0.132 5.068 1.053) 5.178 3.797 ( 0.364 -2.396 1.710) 2.966 3.853 ( -0.144 1.418 -0.311) 1.459 3.866 ( 0.529 0.208 2.591) 2.652 3.924 ( 1.477 -1.673 2.932) 3.685 3.962 ( 1.088 -4.359 -0.928) 4.587 4.239 ( 2.169 3.544 -5.226) 6.676 4.266 ( 1.371 -0.071 -3.970) 4.200 4.396 ( -0.458 2.449 0.563) 2.555 4.436 ( 0.393 0.843 2.017) 2.221 4.571 ( 1.330 -2.285 0.016) 2.645 4.633 ( 0.917 -6.136 0.424) 6.219 5.633 ( 0.705 3.142 1.943) 3.761 5.695 ( 0.787 -3.340 0.773) 3.517 5.842 ( 1.471 1.665 0.633) 2.310 5.868 ( 0.885 0.788 0.992) 1.545 5.877 ( 0.858 0.422 -0.607) 1.132 5.925 ( 1.243 -2.829 2.987) 4.298 6.001 ( 1.524 2.128 -3.081) 4.043 6.043 ( 0.709 -1.891 -2.474) 3.193 6.193 ( -5.428 1.709 0.691) 5.733 6.235 ( -5.308 -2.686 -1.233) 6.075 6.488 ( -2.209 3.132 0.951) 3.949 6.546 ( -2.099 -3.158 1.395) 4.040 6.738 ( -1.294 2.632 0.820) 3.046 6.790 ( -0.864 -2.734 1.408) 3.195 7.028 ( -0.582 2.613 -2.187) 3.457 7.089 ( 0.827 -3.818 -1.915) 4.350 7.594 ( 0.308 2.107 -0.448) 2.176 7.631 ( 0.412 -1.801 0.157) 1.854 7.727 ( -0.578 1.664 1.660) 2.420 7.748 ( -0.121 -0.682 1.105) 1.304 7.778 ( -1.599 2.107 -0.357) 2.670 7.823 ( -1.792 -2.346 0.196) 2.959 8.170 ( -1.583 3.597 0.046) 3.930 8.239 ( -0.345 -3.639 -0.400) 3.677 13.096 ( -6.377 1.538 -0.475) 6.577 13.148 ( -7.063 -3.762 -1.846) 8.212 13.867 ( 3.912 13.722 3.617) 14.720 14.119 ( 4.583 -12.772 4.426) 14.273 15.794 ( -5.457 6.807 1.342) 8.827 15.910 ( -6.045 -5.360 2.010) 8.325 16.407 ( 3.317 4.191 5.054) 7.356 16.500 ( 2.811 -5.349 5.977) 8.499 16.986 ( 0.670 6.430 1.196) 6.575 17.108 ( 1.254 -6.421 -0.203) 6.546 18.492 ( 4.027 9.984 -0.027) 10.766 18.677 ( 5.245 -9.455 -0.778) 10.841 19.996 ( 0.393 1.434 -0.706) 1.646 20.020 ( 0.518 -1.009 -1.332) 1.749 20.305 ( 0.543 1.303 0.506) 1.500 20.332 ( 0.689 -1.562 0.002) 1.708 21.365 ( -1.175 0.391 0.459) 1.320 21.374 ( -1.393 -0.451 0.271) 1.489 22.136 ( -4.724 6.202 0.787) 7.836 22.261 ( -5.121 -6.922 0.311) 8.616 23.015 ( 2.449 3.363 -2.266) 4.737 23.071 ( 2.478 -2.086 -2.206) 3.919 23.155 ( -0.824 -0.003 1.680) 1.871 23.177 ( -0.266 -1.815 0.523) 1.907 45.625 ( -0.638 2.490 0.183) 2.577 45.666 ( -0.176 -1.855 -0.188) 1.873 46.560 ( -3.185 0.412 0.352) 3.230 46.595 ( -3.971 -3.075 -0.455) 5.043 46.852 ( 1.296 3.161 -0.022) 3.416 46.886 ( 0.671 -0.316 -0.867) 1.141 47.648 ( 1.877 2.930 0.257) 3.490 47.709 ( 2.542 -3.406 0.044) 4.250 95.630 ( -0.021 2.135 -1.685) 2.720 95.677 ( 0.565 -2.858 -1.695) 3.370 95.922 ( 1.179 0.770 0.406) 1.465 95.940 ( 1.397 -1.071 1.247) 2.157 96.191 ( -0.893 6.981 -0.870) 7.091 96.244 ( -0.997 2.121 1.691) 2.890 96.366 ( 1.574 -2.332 1.071) 3.011 96.415 ( -1.004 -7.074 -2.133) 7.456 98.529 ( 0.224 5.300 1.016) 5.401 98.626 ( 1.684 -4.796 0.493) 5.107 99.383 ( -3.700 1.158 2.908) 4.847 99.407 ( -4.154 -1.392 0.238) 4.388 104.736 ( -0.361 0.144 0.149) 0.416 104.739 ( -0.265 -0.131 0.007) 0.296 104.848 ( 0.120 1.476 -0.390) 1.531 104.873 ( 0.196 -1.111 -1.308) 1.727 ======================= Grid point 79 (43/108) ======================= q-point: ( 0.40 0.40 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.037 1.754 0.694) 2.153 1.189 ( -2.060 0.419 -0.916) 2.293 1.305 ( -2.834 3.544 1.672) 4.836 1.386 ( -2.204 -4.451 -1.338) 5.144 1.472 ( 1.766 3.453 0.837) 3.968 1.547 ( 0.254 -3.753 0.380) 3.780 1.723 ( -0.360 2.630 0.140) 2.658 1.792 ( -1.213 -4.175 1.187) 4.507 2.471 ( -0.075 -0.906 -2.708) 2.856 2.478 ( 0.598 -1.466 -1.643) 2.281 2.626 ( 0.606 1.470 2.275) 2.775 2.652 ( 0.470 -1.468 2.205) 2.690 2.752 ( 0.691 1.964 -2.492) 3.247 2.760 ( -0.891 0.746 -1.304) 1.747 2.866 ( 1.761 4.104 1.846) 4.833 2.928 ( 2.669 -2.045 -1.105) 3.540 2.996 ( 2.928 0.448 1.502) 3.321 3.037 ( -0.367 -0.340 1.114) 1.221 3.042 ( 2.228 0.811 -3.139) 3.934 3.098 ( 1.142 -1.516 -0.928) 2.113 3.265 ( -2.632 4.962 0.114) 5.618 3.337 ( -1.707 -2.801 -0.886) 3.398 3.477 ( -1.077 4.957 2.606) 5.703 3.592 ( -0.916 -7.018 2.901) 7.649 3.738 ( -0.326 5.154 0.356) 5.177 3.805 ( 0.421 -1.139 -1.446) 1.888 3.846 ( -0.285 1.120 -0.941) 1.491 3.885 ( 0.039 -1.321 0.551) 1.431 3.968 ( -0.024 -1.034 0.065) 1.037 3.977 ( 0.414 -1.872 1.908) 2.705 4.223 ( 2.794 2.869 -1.907) 4.435 4.246 ( 2.162 -0.085 -1.731) 2.771 4.388 ( -0.953 5.220 0.222) 5.311 4.467 ( -0.555 -0.666 1.497) 1.730 4.583 ( 0.444 -2.710 -0.315) 2.764 4.650 ( 0.413 -6.877 0.023) 6.889 5.665 ( -0.027 2.832 1.430) 3.172 5.715 ( 0.474 -2.486 0.374) 2.558 5.850 ( 0.671 1.017 -0.984) 1.566 5.874 ( -0.207 -1.214 -0.391) 1.292 5.916 ( 2.353 4.062 1.092) 4.820 5.975 ( 0.915 -0.370 -0.927) 1.354 6.004 ( 1.501 -2.403 1.764) 3.337 6.019 ( 0.682 -1.977 -1.682) 2.684 6.115 ( -4.248 0.629 -0.207) 4.299 6.134 ( -4.328 -1.438 -1.205) 4.717 6.481 ( -0.729 3.259 0.444) 3.368 6.537 ( -0.958 -2.853 0.291) 3.023 6.729 ( -1.002 2.804 0.376) 3.001 6.784 ( -1.667 -3.023 0.427) 3.478 6.999 ( 0.002 3.799 -0.638) 3.852 7.083 ( 0.962 -5.149 -0.703) 5.285 7.599 ( 0.100 2.365 0.651) 2.455 7.641 ( 0.032 -2.082 0.628) 2.175 7.731 ( -1.126 3.312 -0.054) 3.498 7.758 ( 0.197 0.147 0.328) 0.410 7.770 ( -0.589 0.291 1.239) 1.402 7.805 ( -1.743 -2.995 1.631) 3.830 8.151 ( -1.248 4.303 0.556) 4.515 8.230 ( -0.117 -3.988 -0.234) 3.996 13.020 ( -3.834 0.131 0.305) 3.849 13.050 ( -3.071 -3.295 -0.764) 4.568 13.933 ( 1.725 14.987 -0.767) 15.105 14.191 ( 1.744 -12.369 -1.340) 12.563 15.749 ( -3.179 6.551 1.249) 7.388 15.859 ( -3.615 -5.018 0.883) 6.247 16.490 ( -0.327 3.639 3.101) 4.792 16.579 ( -0.505 -5.498 2.606) 6.105 17.008 ( 0.476 6.004 0.414) 6.037 17.123 ( 1.277 -6.134 -0.619) 6.296 18.539 ( 2.249 10.213 -0.244) 10.460 18.728 ( 3.013 -9.617 -1.054) 10.133 19.995 ( 0.356 1.040 -0.056) 1.101 20.013 ( 0.643 -0.830 -0.594) 1.207 20.317 ( 0.166 1.295 0.410) 1.369 20.342 ( 0.516 -1.306 -0.019) 1.404 21.357 ( -0.645 0.092 0.361) 0.745 21.359 ( -0.869 -0.132 0.104) 0.885 22.087 ( -2.912 5.861 1.023) 6.624 22.200 ( -2.974 -6.009 0.206) 6.708 23.017 ( 2.005 3.048 -2.000) 4.161 23.072 ( 1.829 -2.500 -2.122) 3.755 23.165 ( -0.912 0.235 1.604) 1.860 23.183 ( -0.446 -1.364 1.119) 1.820 45.620 ( -0.470 2.622 0.357) 2.688 45.663 ( -0.064 -1.832 -0.011) 1.833 46.525 ( -1.406 -1.044 -0.535) 1.831 46.535 ( -2.163 -2.183 -1.059) 3.251 46.874 ( 0.551 2.347 1.087) 2.644 46.887 ( 0.117 1.026 0.471) 1.135 47.672 ( 1.143 3.064 -0.198) 3.276 47.737 ( 1.626 -3.691 -0.631) 4.082 95.616 ( 0.514 2.310 -0.603) 2.442 95.668 ( 0.765 -3.259 -0.712) 3.423 95.946 ( 0.558 1.455 1.073) 1.892 95.974 ( 0.273 -1.649 1.744) 2.416 96.158 ( -0.224 7.000 -1.940) 7.268 96.241 ( -0.757 0.397 -0.201) 0.878 96.372 ( 0.592 -3.064 -2.072) 3.746 96.402 ( -0.002 -4.181 0.934) 4.284 98.541 ( -0.105 5.860 0.488) 5.881 98.648 ( 1.110 -5.289 -0.476) 5.425 99.360 ( -2.284 0.109 -0.140) 2.290 99.365 ( -3.334 -0.388 1.884) 3.849 104.732 ( -0.235 0.263 -0.029) 0.354 104.736 ( -0.144 -0.155 0.069) 0.222 104.849 ( 0.029 1.045 0.291) 1.085 104.868 ( 0.382 -0.881 -0.112) 0.967 ======================= Grid point 80 (44/108) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -2.203 2.427 -0.689) 3.349 1.193 ( -2.473 -1.929 2.153) 3.804 1.301 ( -0.381 3.744 1.998) 4.261 1.363 ( 0.700 -2.424 0.043) 2.523 1.550 ( 3.347 2.762 4.871) 6.523 1.600 ( 1.690 0.103 4.970) 5.251 1.693 ( -0.760 -0.225 -1.237) 1.469 1.779 ( -1.745 -6.172 0.235) 6.418 2.416 ( 0.428 0.282 -5.058) 5.084 2.442 ( 1.842 -2.423 -6.010) 6.736 2.643 ( -2.427 2.963 0.296) 3.841 2.676 ( -1.671 -0.580 1.504) 2.321 2.749 ( 1.170 1.862 0.704) 2.309 2.769 ( 1.400 0.044 -0.494) 1.486 2.878 ( -0.380 2.299 0.882) 2.492 2.928 ( -0.509 -2.577 -1.116) 2.854 3.001 ( -1.764 2.279 -1.338) 3.178 3.018 ( 2.337 0.978 -4.380) 5.060 3.053 ( -0.844 -0.987 0.753) 1.501 3.084 ( 0.239 -1.465 -2.136) 2.601 3.254 ( 0.148 5.099 1.216) 5.244 3.327 ( 1.335 -2.608 0.732) 3.020 3.482 ( -2.256 5.466 2.214) 6.314 3.609 ( -1.854 -7.184 1.920) 7.664 3.724 ( -0.954 2.954 -0.215) 3.111 3.771 ( -0.632 -1.894 -2.746) 3.395 3.834 ( 0.395 3.376 -0.792) 3.491 3.885 ( -0.537 -0.630 -0.738) 1.109 3.955 ( -1.259 -0.129 -0.163) 1.276 3.993 ( -0.070 -3.223 0.876) 3.341 4.244 ( 2.322 3.877 -1.904) 4.904 4.291 ( 3.325 -0.618 1.385) 3.654 4.383 ( -0.231 5.059 0.793) 5.126 4.455 ( -1.790 -1.766 -0.073) 2.516 4.576 ( -0.230 -2.171 -0.786) 2.320 4.638 ( -0.714 -6.933 -1.090) 7.054 5.665 ( -1.755 2.800 0.448) 3.335 5.713 ( -0.678 -2.295 -0.333) 2.416 5.842 ( 0.898 1.413 -2.610) 3.101 5.867 ( 1.038 -0.971 -1.065) 1.776 5.911 ( -2.187 1.091 -0.290) 2.462 5.950 ( -2.301 -2.582 -2.287) 4.146 6.018 ( 3.396 3.330 1.107) 4.883 6.076 ( 0.224 -1.148 -0.021) 1.170 6.097 ( 0.192 -0.948 3.371) 3.507 6.110 ( 2.111 -1.623 1.518) 3.066 6.464 ( -1.203 2.956 -0.970) 3.336 6.519 ( -0.868 -2.916 -1.071) 3.225 6.721 ( -0.489 2.568 0.087) 2.615 6.764 ( -0.641 -1.953 -0.290) 2.076 7.015 ( 1.227 3.291 1.224) 3.720 7.097 ( 1.290 -5.439 0.193) 5.593 7.612 ( -0.040 2.129 1.090) 2.392 7.647 ( -0.498 -1.757 0.747) 1.973 7.710 ( -1.217 2.320 0.156) 2.624 7.743 ( -1.395 -1.119 -0.518) 1.862 7.790 ( -0.111 1.597 2.069) 2.616 7.824 ( -0.326 -2.081 2.420) 3.209 8.153 ( -0.212 4.285 1.193) 4.454 8.231 ( 0.324 -3.954 0.114) 3.968 12.992 ( -0.138 1.066 0.300) 1.116 13.039 ( 1.293 -4.090 0.741) 4.353 13.893 ( -1.341 13.730 -5.163) 14.730 14.129 ( -1.635 -11.280 -7.407) 13.594 15.733 ( -1.297 5.922 1.169) 6.174 15.825 ( -1.586 -3.663 -0.310) 4.004 16.486 ( -3.526 2.584 0.857) 4.454 16.561 ( -3.691 -4.981 -0.441) 6.215 17.005 ( -0.823 6.024 -0.564) 6.107 17.122 ( 0.312 -6.392 -1.256) 6.522 18.548 ( 0.015 10.163 -0.770) 10.193 18.734 ( 0.786 -9.425 -1.907) 9.648 20.007 ( 0.425 1.018 0.788) 1.356 20.025 ( 1.017 -0.905 0.486) 1.445 20.320 ( -0.425 1.316 0.311) 1.418 20.345 ( -0.048 -1.286 -0.051) 1.288 21.351 ( -0.419 0.309 0.068) 0.525 21.356 ( -0.235 -0.152 0.297) 0.408 22.085 ( -0.550 4.957 2.196) 5.450 22.185 ( -0.119 -5.395 0.712) 5.443 23.019 ( 1.872 2.579 -1.778) 3.649 23.066 ( 1.657 -2.189 -2.448) 3.679 23.174 ( -1.213 0.730 1.906) 2.374 23.197 ( -0.489 -1.603 1.966) 2.583 45.621 ( -0.277 2.721 0.528) 2.786 45.664 ( 0.094 -1.781 0.158) 1.790 46.498 ( 0.021 -0.884 -1.318) 1.587 46.514 ( 0.851 -2.551 -0.910) 2.838 46.893 ( -0.557 2.657 1.753) 3.232 46.911 ( 0.369 0.850 2.012) 2.216 47.674 ( -0.034 2.915 -0.623) 2.981 47.737 ( 0.268 -3.608 -1.304) 3.846 95.631 ( 1.197 2.292 0.908) 2.741 95.683 ( 1.205 -3.214 0.614) 3.488 95.965 ( -0.825 1.415 1.816) 2.446 95.992 ( -1.654 -1.400 2.001) 2.950 96.138 ( 1.532 6.335 -2.315) 6.916 96.224 ( -0.070 -0.831 -1.093) 1.375 96.358 ( 1.097 -1.316 -1.941) 2.589 96.406 ( -0.197 -4.425 0.007) 4.430 98.539 ( -0.663 5.711 0.020) 5.749 98.644 ( 0.058 -5.248 -1.321) 5.412 99.332 ( -1.238 0.325 -0.446) 1.355 99.339 ( -1.403 -0.314 -0.087) 1.440 104.729 ( -0.058 0.483 -0.051) 0.489 104.736 ( -0.022 -0.221 0.132) 0.258 104.856 ( -0.056 1.228 0.657) 1.394 104.879 ( 0.589 -1.194 0.692) 1.501 ======================= Grid point 81 (45/108) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -7.147 3.514 -2.619) 8.383 1.129 ( -6.431 -3.696 -0.535) 7.436 1.296 ( -4.059 7.127 0.390) 8.211 1.388 ( 0.414 -0.939 0.144) 1.036 1.646 ( -0.987 0.138 0.769) 1.259 1.693 ( 1.508 -4.163 0.147) 4.430 1.783 ( 5.088 -1.773 11.366) 12.579 1.807 ( 3.359 -3.355 9.207) 10.359 2.352 ( 3.140 1.487 -7.181) 7.977 2.386 ( 4.572 -2.171 -8.007) 9.472 2.510 ( -7.712 5.016 -7.564) 11.910 2.560 ( -9.190 -0.565 -9.362) 13.131 2.775 ( 0.278 1.876 3.116) 3.648 2.801 ( 0.139 -0.764 4.692) 4.756 2.870 ( -2.796 1.802 -2.517) 4.171 2.893 ( -2.176 -0.649 -2.306) 3.236 2.969 ( 1.007 1.304 -1.193) 2.034 3.008 ( 2.551 -2.544 0.169) 3.606 3.064 ( -0.029 0.224 1.854) 1.868 3.065 ( 0.089 0.314 0.425) 0.536 3.305 ( 3.265 5.634 2.673) 7.039 3.388 ( 3.585 -2.799 2.028) 4.980 3.500 ( -0.279 4.658 3.341) 5.738 3.602 ( 0.687 -4.557 -0.828) 4.682 3.709 ( -1.268 0.141 -1.218) 1.764 3.729 ( -1.152 -1.986 0.286) 2.314 3.816 ( -1.180 2.796 -0.445) 3.067 3.859 ( -0.493 -0.785 -1.281) 1.582 3.936 ( -2.068 2.244 1.585) 3.438 4.010 ( -0.317 -4.858 1.455) 5.081 4.216 ( 0.667 6.294 -4.876) 7.990 4.333 ( 1.639 -5.525 -2.537) 6.297 4.391 ( -0.421 5.033 1.029) 5.155 4.468 ( 1.163 -1.083 3.534) 3.875 4.552 ( -0.241 -0.998 -2.109) 2.345 4.620 ( 0.208 -6.360 -0.156) 6.366 5.637 ( -2.131 3.022 0.383) 3.718 5.696 ( -0.900 -3.129 -0.069) 3.256 5.805 ( -0.018 2.043 -2.784) 3.453 5.847 ( -0.128 -2.081 -3.312) 3.913 5.886 ( -0.361 1.518 0.248) 1.580 5.921 ( -1.339 -2.080 1.290) 2.790 6.065 ( 1.688 1.518 -0.420) 2.308 6.078 ( 1.223 0.353 -0.896) 1.556 6.145 ( 0.327 2.468 4.388) 5.045 6.205 ( 4.102 -3.464 2.669) 5.996 6.419 ( -1.085 2.780 -2.695) 4.021 6.481 ( -0.370 -3.864 -2.798) 4.785 6.721 ( 0.024 2.553 0.449) 2.592 6.760 ( 0.315 -1.485 -0.110) 1.522 7.055 ( 1.397 2.401 1.153) 3.008 7.121 ( 1.435 -4.701 0.237) 4.921 7.628 ( -0.103 1.498 0.954) 1.779 7.648 ( -1.012 -0.889 1.094) 1.735 7.705 ( -0.508 1.048 1.061) 1.576 7.724 ( -0.582 -0.851 0.470) 1.133 7.815 ( -0.517 2.190 2.127) 3.096 7.851 ( -0.312 -1.608 2.025) 2.604 8.174 ( 0.305 3.349 1.292) 3.603 8.239 ( 0.348 -3.439 0.032) 3.457 13.031 ( 4.280 2.817 0.866) 5.196 13.103 ( 5.256 -4.785 1.163) 7.203 13.763 ( -3.584 10.203 -7.075) 12.923 13.950 ( -3.919 -9.510 -11.041) 15.089 15.742 ( 0.298 4.910 1.081) 5.036 15.805 ( 0.437 -1.734 -1.154) 2.128 16.424 ( -5.539 0.947 0.624) 5.654 16.469 ( -6.366 -3.520 -1.373) 7.403 16.975 ( -1.562 6.402 -0.709) 6.628 17.102 ( -0.194 -6.984 -1.389) 7.124 18.525 ( -1.551 9.826 -0.561) 9.964 18.704 ( -0.675 -8.968 -2.303) 9.284 20.024 ( -0.032 1.424 0.911) 1.690 20.050 ( 0.733 -1.312 0.857) 1.730 20.313 ( -0.973 1.279 0.271) 1.630 20.339 ( -0.574 -1.380 -0.080) 1.497 21.350 ( 0.043 0.603 0.145) 0.621 21.358 ( 0.079 -0.176 0.156) 0.248 22.115 ( 0.001 3.961 1.876) 4.382 22.204 ( 1.368 -5.280 0.022) 5.454 23.022 ( 1.721 1.702 -1.705) 2.961 23.051 ( 1.685 -1.358 -3.043) 3.734 23.183 ( -1.748 1.483 2.356) 3.287 23.220 ( -0.911 -2.318 2.461) 3.501 45.626 ( -0.091 2.763 0.614) 2.832 45.670 ( 0.237 -1.750 0.246) 1.783 46.494 ( 1.815 0.081 -1.237) 2.198 46.528 ( 2.835 -3.283 -1.183) 4.496 46.906 ( -1.439 3.441 1.992) 4.228 46.942 ( -0.358 -0.178 2.058) 2.097 47.655 ( -1.123 2.549 -0.751) 2.885 47.711 ( -0.913 -3.217 -1.585) 3.700 95.671 ( 1.130 1.907 1.920) 2.933 95.712 ( 0.791 -2.481 1.017) 2.796 95.972 ( -2.099 0.822 2.380) 3.278 95.985 ( -2.732 -0.345 2.000) 3.404 96.129 ( 1.705 4.696 -2.879) 5.766 96.203 ( -0.702 -1.260 -1.464) 2.055 96.339 ( 0.180 0.351 -2.297) 2.330 96.409 ( 1.625 -5.701 -1.128) 6.034 98.525 ( -1.078 4.904 0.018) 5.021 98.616 ( -0.827 -4.607 -1.521) 4.921 99.309 ( -0.281 1.675 -0.678) 1.829 99.334 ( 1.789 -0.988 -1.052) 2.299 104.728 ( 0.034 0.665 -0.040) 0.667 104.739 ( 0.037 -0.321 0.171) 0.365 104.867 ( 0.233 2.030 0.878) 2.224 104.905 ( 1.119 -1.884 1.201) 2.499 ======================= Grid point 82 (46/108) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -10.660 6.699 -1.555) 12.685 1.008 ( -8.625 -5.684 -0.042) 10.330 1.190 ( -8.783 11.124 -1.661) 14.270 1.356 ( -4.107 -3.909 -1.251) 5.806 1.602 ( -4.362 -3.866 -1.061) 5.924 1.654 ( -3.173 -6.850 -0.877) 7.600 2.022 ( 2.880 2.378 4.514) 5.859 2.055 ( 4.507 -0.699 9.605) 10.633 2.175 ( -12.763 8.875 -8.246) 17.597 2.307 ( -4.955 -3.503 -4.832) 7.757 2.325 ( 7.110 1.981 -6.704) 9.971 2.390 ( 5.729 -4.528 -4.222) 8.435 2.777 ( -1.520 1.703 -3.080) 3.834 2.790 ( -2.682 -0.245 -3.187) 4.173 2.862 ( 0.954 1.243 4.474) 4.741 2.874 ( -0.308 -0.367 4.540) 4.566 2.973 ( -0.972 1.415 0.169) 1.725 3.012 ( -0.544 -2.116 -0.372) 2.216 3.092 ( 0.522 0.512 0.784) 1.072 3.107 ( 1.639 -0.965 0.689) 2.023 3.432 ( 6.444 3.719 4.312) 8.599 3.478 ( 3.937 -1.386 1.880) 4.578 3.561 ( 3.527 3.783 1.492) 5.383 3.621 ( 6.009 -1.331 -3.364) 7.014 3.675 ( -1.065 1.688 0.351) 2.027 3.726 ( -0.879 -2.872 0.421) 3.033 3.792 ( -1.820 1.232 0.177) 2.205 3.834 ( -1.351 -2.443 -0.907) 2.935 3.951 ( -1.957 3.465 5.311) 6.636 4.031 ( -1.237 -4.954 4.101) 6.549 4.150 ( 0.044 7.176 -4.378) 8.406 4.284 ( 0.087 -6.741 -4.624) 8.175 4.415 ( 0.412 5.132 1.709) 5.424 4.518 ( 0.986 -3.353 -1.358) 3.749 4.556 ( 2.764 1.732 2.812) 4.306 4.640 ( 1.779 -5.398 0.644) 5.720 5.623 ( -1.268 3.322 1.216) 3.758 5.690 ( -0.307 -3.727 0.481) 3.770 5.776 ( 0.349 1.548 -1.532) 2.206 5.805 ( -0.268 -1.113 -1.846) 2.172 5.887 ( -0.236 1.387 0.194) 1.421 5.918 ( -1.189 -1.791 0.760) 2.280 6.066 ( 0.045 1.389 -0.763) 1.585 6.082 ( 1.539 -0.313 -1.779) 2.373 6.217 ( 0.019 3.918 4.536) 5.994 6.284 ( 0.981 -2.538 1.822) 3.274 6.368 ( 1.227 1.842 -3.600) 4.226 6.432 ( 1.185 -4.902 -5.175) 7.226 6.731 ( 0.079 1.496 0.744) 1.673 6.762 ( -0.193 -1.645 0.215) 1.670 7.080 ( 0.682 2.674 0.090) 2.761 7.143 ( 1.386 -3.956 -0.269) 4.201 7.625 ( -0.570 1.217 -0.055) 1.345 7.652 ( -0.634 -1.374 0.776) 1.701 7.727 ( 0.255 0.913 2.223) 2.417 7.740 ( -0.555 -0.361 2.409) 2.498 7.835 ( -0.526 2.743 1.748) 3.295 7.875 ( 0.286 -1.596 1.451) 2.176 8.186 ( -0.591 2.392 0.425) 2.501 8.237 ( -0.192 -2.841 -0.625) 2.915 13.137 ( 7.921 3.835 0.506) 8.816 13.212 ( 8.431 -3.916 -1.215) 9.375 13.616 ( -4.481 4.765 -3.833) 7.581 13.729 ( -5.031 -6.747 -9.596) 12.764 15.765 ( 0.909 3.795 0.581) 3.945 15.808 ( 1.894 -0.575 -0.725) 2.108 16.352 ( -7.382 -0.737 1.173) 7.511 16.361 ( -6.182 -1.613 2.289) 6.786 16.946 ( -1.483 6.866 -0.120) 7.026 17.082 ( -0.067 -7.470 -1.051) 7.544 18.494 ( -2.414 8.971 0.461) 9.302 18.655 ( -1.559 -7.984 -2.119) 8.406 20.025 ( -0.865 1.961 0.155) 2.149 20.063 ( -0.123 -1.959 0.199) 1.973 20.300 ( -1.468 1.265 0.350) 1.970 20.327 ( -0.906 -1.577 0.048) 1.819 21.353 ( 0.044 0.722 0.027) 0.724 21.363 ( 0.484 -0.222 -0.052) 0.535 22.124 ( -1.134 3.141 0.287) 3.352 22.206 ( 0.601 -5.601 -2.400) 6.123 23.022 ( 1.249 0.342 -1.430) 1.929 23.031 ( 1.699 -0.428 -3.307) 3.743 23.184 ( -2.727 1.940 2.317) 4.070 23.231 ( -2.071 -2.935 1.969) 4.096 45.636 ( 0.228 2.712 0.630) 2.793 45.678 ( 0.376 -1.695 0.240) 1.753 46.515 ( 3.199 1.119 -1.116) 3.568 46.562 ( 3.980 -3.650 -1.300) 5.555 46.899 ( -2.756 4.037 1.282) 5.053 46.952 ( -1.532 -1.277 1.068) 2.263 47.624 ( -1.711 2.153 -0.494) 2.794 47.671 ( -1.463 -2.707 -1.330) 3.352 95.706 ( 0.015 0.815 1.240) 1.484 95.719 ( -0.744 -0.564 -0.467) 1.044 95.965 ( -3.614 1.477 2.522) 4.648 95.986 ( -2.057 -0.654 3.255) 3.906 96.100 ( 0.581 1.745 -3.247) 3.732 96.154 ( -2.288 -3.151 -2.524) 4.641 96.305 ( -0.099 3.317 -2.386) 4.087 96.404 ( 1.170 -7.182 -3.147) 7.928 98.511 ( -1.164 3.830 0.393) 4.022 98.582 ( -1.080 -3.631 -1.068) 3.936 99.319 ( 2.426 3.458 0.267) 4.232 99.363 ( 3.667 -1.473 -0.506) 3.984 104.729 ( 0.087 0.754 0.013) 0.760 104.742 ( -0.002 -0.478 0.194) 0.516 104.891 ( 1.231 3.291 1.043) 3.666 104.946 ( 1.985 -2.551 1.270) 3.473 ======================= Grid point 83 (47/108) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -11.405 9.851 5.365) 15.997 0.886 ( -10.583 -2.760 3.051) 11.355 1.002 ( -11.506 8.406 -1.897) 14.375 1.211 ( -9.373 -10.794 -4.458) 14.974 1.517 ( -5.001 1.842 -0.138) 5.331 1.596 ( -3.946 -4.854 0.871) 6.316 1.717 ( -15.128 18.933 -8.922) 25.825 2.048 ( -3.442 -12.458 -3.687) 13.441 2.216 ( 5.050 2.514 -0.242) 5.647 2.278 ( 3.133 -2.538 -2.989) 5.019 2.437 ( 6.093 0.542 5.571) 8.274 2.491 ( 5.588 -4.920 3.417) 8.192 2.717 ( -1.758 1.961 -0.575) 2.696 2.751 ( 0.582 -1.912 -0.937) 2.207 2.911 ( -2.509 2.187 3.850) 5.089 2.941 ( 1.471 0.831 2.994) 3.438 2.956 ( -0.444 1.638 0.058) 1.699 3.007 ( -0.494 -2.719 0.723) 2.856 3.081 ( -0.954 0.592 -1.262) 1.689 3.103 ( 0.211 -1.827 -3.304) 3.782 3.525 ( 1.661 1.078 -0.890) 2.171 3.541 ( 1.803 -0.800 0.162) 1.979 3.650 ( 4.136 3.627 -2.901) 6.220 3.655 ( 4.105 2.598 -1.839) 5.194 3.692 ( 4.867 -1.836 -1.312) 5.364 3.723 ( 1.583 -3.498 -3.987) 5.536 3.772 ( 0.015 3.552 3.705) 5.133 3.830 ( 1.168 -2.536 1.707) 3.272 4.021 ( -1.028 3.846 5.995) 7.197 4.085 ( 0.179 -0.480 2.860) 2.906 4.121 ( -1.698 3.440 3.560) 5.233 4.231 ( 0.068 -5.772 -1.962) 6.097 4.439 ( 0.675 5.683 0.237) 5.728 4.543 ( 3.275 -2.408 0.517) 4.098 4.640 ( 4.242 1.034 1.054) 4.491 4.709 ( 4.533 -3.829 3.989) 7.150 5.629 ( -0.669 3.434 1.302) 3.733 5.696 ( 0.256 -3.569 0.229) 3.585 5.771 ( 0.949 0.952 -0.608) 1.475 5.789 ( -0.006 -0.593 -0.155) 0.613 5.884 ( -0.570 1.142 0.284) 1.307 5.907 ( -1.438 -1.281 0.650) 2.033 6.054 ( 0.038 1.687 -0.867) 1.897 6.076 ( 1.251 -0.756 -1.764) 2.291 6.222 ( -2.415 3.344 -2.448) 4.796 6.292 ( -1.028 -0.776 1.696) 2.129 6.351 ( 0.232 -2.547 -6.057) 6.575 6.391 ( 2.292 -3.109 0.054) 3.863 6.739 ( -0.081 1.157 0.354) 1.213 6.770 ( -0.361 -1.978 1.724) 2.649 7.078 ( -0.315 3.847 -0.593) 3.905 7.153 ( 1.179 -3.910 -1.071) 4.222 7.621 ( -0.017 1.067 -0.017) 1.067 7.648 ( -0.323 -1.669 -0.185) 1.710 7.764 ( -0.750 0.320 3.284) 3.383 7.766 ( -0.973 0.283 3.112) 3.272 7.845 ( -0.494 2.870 0.310) 2.929 7.891 ( -0.074 -2.035 -0.248) 2.051 8.168 ( -1.662 2.428 -0.149) 2.946 8.219 ( -0.443 -2.874 -0.761) 3.006 13.244 ( 7.987 2.106 -4.041) 9.195 13.271 ( 7.426 -0.467 -7.844) 10.811 13.547 ( -4.320 0.667 1.777) 4.719 13.599 ( -2.898 -3.839 4.153) 6.355 15.786 ( 0.870 3.402 0.868) 3.618 15.844 ( 1.474 -1.975 2.212) 3.312 16.275 ( -7.785 1.867 4.652) 9.259 16.330 ( -5.289 -3.452 4.606) 7.816 16.929 ( -1.203 7.217 0.674) 7.347 17.072 ( 0.128 -7.703 -0.399) 7.715 18.467 ( -3.191 7.303 1.557) 8.121 18.601 ( -1.785 -6.602 -1.860) 7.088 20.003 ( -1.329 2.177 -0.813) 2.677 20.049 ( -0.940 -2.642 -1.031) 2.988 20.278 ( -2.053 1.655 0.328) 2.657 20.315 ( -1.079 -2.045 0.305) 2.333 21.350 ( -0.212 1.154 -0.131) 1.181 21.370 ( 0.554 -0.902 -0.083) 1.062 22.094 ( -2.386 1.487 -0.111) 2.814 22.145 ( -2.029 -4.171 -4.425) 6.410 23.009 ( 1.656 0.163 -3.238) 3.641 23.013 ( -0.256 -0.811 -1.189) 1.462 23.166 ( -3.674 1.637 2.009) 4.496 23.212 ( -3.134 -3.035 0.983) 4.472 45.652 ( 0.849 2.299 0.520) 2.505 45.687 ( 0.496 -1.478 0.098) 1.562 46.559 ( 4.470 1.852 -0.677) 4.886 46.609 ( 4.573 -3.278 -0.949) 5.706 46.861 ( -3.797 4.333 0.511) 5.784 46.925 ( -2.793 -2.193 -0.279) 3.562 47.594 ( -1.677 1.901 -0.074) 2.536 47.634 ( -1.312 -2.287 -0.802) 2.755 95.675 ( -1.956 1.545 -2.456) 3.499 95.700 ( -1.169 -1.042 -1.037) 1.878 95.932 ( -4.780 1.253 1.595) 5.192 95.986 ( -6.012 -4.207 2.117) 7.637 96.070 ( -1.028 -0.832 -3.201) 3.463 96.077 ( 0.553 -0.919 -0.549) 1.205 96.273 ( -0.149 3.587 -1.623) 3.940 96.353 ( -1.217 -5.353 -3.030) 6.271 98.502 ( -1.007 2.928 0.676) 3.170 98.557 ( -0.821 -2.781 -0.470) 2.937 99.392 ( 5.550 3.814 0.785) 6.780 99.432 ( 3.597 -0.934 3.093) 4.834 104.732 ( 0.136 0.686 0.125) 0.710 104.744 ( -0.080 -0.562 0.224) 0.611 104.936 ( 3.084 3.956 0.804) 5.080 104.994 ( 2.627 -2.431 0.311) 3.593 ======================= Grid point 84 (48/108) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -7.224 11.463 12.554) 18.472 0.768 ( -9.203 13.171 4.841) 16.781 0.896 ( -9.944 -4.846 10.770) 15.439 1.034 ( -6.593 -11.116 0.036) 12.924 1.451 ( -5.465 11.690 1.823) 13.032 1.478 ( -6.002 9.900 -1.873) 11.727 1.573 ( -2.936 0.932 3.040) 4.328 1.974 ( -1.111 -20.519 -1.200) 20.584 2.276 ( 5.424 0.316 -1.645) 5.677 2.282 ( 3.744 0.302 -3.258) 4.972 2.532 ( -0.920 0.723 1.017) 1.550 2.566 ( 0.757 -3.332 0.471) 3.449 2.708 ( -0.554 1.987 1.120) 2.347 2.761 ( 0.673 -3.974 0.163) 4.034 2.909 ( -2.175 3.616 -0.034) 4.220 2.972 ( -2.059 -2.207 0.694) 3.098 2.982 ( 1.167 2.229 0.291) 2.533 3.010 ( 1.604 0.104 1.363) 2.108 3.031 ( -1.591 0.355 -2.061) 2.627 3.075 ( 0.489 -2.782 0.592) 2.886 3.518 ( 1.681 1.895 -2.895) 3.847 3.543 ( 1.333 -1.036 -1.754) 2.435 3.617 ( 0.041 1.755 -1.488) 2.301 3.641 ( 2.562 0.103 -6.842) 7.306 3.718 ( -0.427 -0.000 1.735) 1.787 3.736 ( 1.964 -1.782 -0.211) 2.660 3.855 ( 3.902 1.482 -2.070) 4.659 3.876 ( 3.731 -0.628 0.375) 3.802 4.044 ( -0.465 2.854 -0.171) 2.897 4.103 ( -0.816 -2.793 -1.414) 3.235 4.175 ( -2.118 4.693 7.271) 8.909 4.252 ( 0.113 -3.408 3.547) 4.921 4.444 ( 0.648 6.532 -0.905) 6.626 4.580 ( 1.435 -7.174 -1.158) 7.407 4.713 ( 5.268 7.600 -3.157) 9.771 4.852 ( 4.664 -6.937 0.253) 8.363 5.627 ( -0.762 3.543 -0.438) 3.650 5.694 ( 0.324 -3.292 -1.535) 3.646 5.782 ( 0.857 0.507 0.102) 1.001 5.796 ( -0.243 -0.675 0.988) 1.221 5.883 ( -0.858 0.727 0.731) 1.341 5.901 ( -1.664 -1.105 1.841) 2.716 6.045 ( 0.388 1.822 -0.099) 1.865 6.075 ( 1.071 -1.387 -0.529) 1.831 6.158 ( 0.888 2.382 -2.312) 3.436 6.202 ( -1.761 -2.385 -4.866) 5.698 6.360 ( -0.479 3.661 5.017) 6.229 6.433 ( 0.115 -4.040 3.189) 5.148 6.745 ( -0.275 2.081 0.791) 2.244 6.790 ( -0.986 -2.630 1.979) 3.436 7.063 ( -0.494 4.419 -0.173) 4.450 7.149 ( 1.108 -4.403 -1.726) 4.857 7.620 ( 0.099 0.628 -0.247) 0.682 7.640 ( -0.242 -1.287 -0.190) 1.323 7.785 ( -2.026 1.854 1.475) 3.117 7.809 ( 0.238 -0.276 3.004) 3.026 7.830 ( -1.612 0.457 1.005) 1.954 7.857 ( -1.029 -1.784 -2.026) 2.889 8.149 ( -1.173 3.131 0.892) 3.461 8.211 ( 0.021 -3.264 0.100) 3.265 13.261 ( 4.737 1.005 -2.539) 5.468 13.289 ( 5.968 -1.756 -2.225) 6.607 13.562 ( -3.115 5.475 6.396) 8.978 13.676 ( -1.862 -5.969 7.514) 9.776 15.825 ( 0.300 3.926 3.500) 5.269 15.918 ( -0.009 -5.276 6.729) 8.551 16.239 ( -8.694 2.859 6.487) 11.218 16.317 ( -5.638 -4.339 4.286) 8.306 16.929 ( -1.010 7.579 1.540) 7.799 17.077 ( 0.135 -7.933 0.879) 7.983 18.433 ( -4.060 5.845 1.006) 7.187 18.553 ( -0.772 -6.297 -2.093) 6.680 19.974 ( -0.486 1.870 -0.856) 2.114 20.015 ( -0.761 -2.489 -1.286) 2.903 20.251 ( -1.884 2.913 0.391) 3.491 20.305 ( -0.894 -2.762 0.501) 2.946 21.347 ( -0.154 1.444 0.298) 1.482 21.376 ( 0.317 -1.617 0.162) 1.656 22.072 ( -1.722 0.069 1.259) 2.134 22.075 ( -1.844 -0.190 2.903) 3.444 22.978 ( -1.731 0.437 -1.184) 2.142 22.992 ( 2.065 -0.249 -2.892) 3.563 23.138 ( -3.586 1.145 2.040) 4.282 23.181 ( -2.069 -2.931 0.664) 3.649 45.671 ( 1.094 1.267 -0.247) 1.692 45.692 ( 0.276 -1.028 -0.378) 1.130 46.621 ( 4.432 2.583 -0.359) 5.142 46.677 ( 5.269 -3.196 0.042) 6.163 46.809 ( -3.639 3.823 0.265) 5.285 46.867 ( -3.613 -2.171 -0.444) 4.238 47.574 ( -1.070 1.835 0.245) 2.138 47.611 ( -0.594 -2.062 -0.343) 2.173 95.617 ( -0.744 1.600 -1.632) 2.404 95.652 ( -1.170 -2.087 -1.922) 3.069 95.863 ( -6.610 0.252 -0.824) 6.666 95.883 ( -3.705 -1.570 1.074) 4.165 96.071 ( -0.006 1.487 1.919) 2.428 96.097 ( 0.084 -1.272 2.142) 2.492 96.256 ( 0.125 3.074 -0.727) 3.161 96.323 ( -1.002 -4.399 1.956) 4.917 98.498 ( -0.853 2.479 0.561) 2.681 98.544 ( -0.394 -2.381 -0.095) 2.415 99.460 ( 3.439 5.991 -0.909) 6.967 99.564 ( 2.244 -5.654 7.059) 9.319 104.736 ( 0.057 0.509 0.208) 0.553 104.745 ( -0.168 -0.480 0.221) 0.554 104.991 ( 3.880 2.201 -1.681) 4.767 105.018 ( 1.703 -0.986 -1.995) 2.802 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 2.301 0.000 15.638) 15.806 0.961 ( 9.377 0.000 22.412) 24.294 1.221 ( -4.588 0.000 6.707) 8.127 1.437 ( -3.023 0.000 0.171) 3.028 1.596 ( 8.779 0.000 10.127) 13.403 1.682 ( -7.055 0.000 32.987) 33.733 1.912 ( -5.624 0.000 10.726) 12.111 2.020 ( 2.249 0.000 -10.427) 10.667 2.074 ( 0.286 0.000 -11.098) 11.102 2.256 ( -6.280 0.000 -9.832) 11.667 2.390 ( 4.214 0.000 0.414) 4.234 2.593 ( -0.754 0.000 -3.101) 3.191 2.635 ( 2.891 0.000 -4.589) 5.424 2.761 ( 1.206 0.000 -7.321) 7.420 2.826 ( -3.373 0.000 1.710) 3.782 2.852 ( -0.052 0.000 -3.442) 3.442 2.941 ( 1.320 0.000 3.122) 3.389 2.951 ( -2.830 0.000 0.043) 2.830 3.184 ( -1.340 0.000 3.597) 3.839 3.225 ( 2.512 0.000 -3.102) 3.992 3.309 ( 0.688 0.000 -1.696) 1.830 3.503 ( 2.964 0.000 0.477) 3.002 3.543 ( -1.585 0.000 -2.018) 2.566 3.635 ( -1.828 0.000 -7.344) 7.568 3.691 ( -4.133 0.000 3.073) 5.150 3.724 ( -0.922 0.000 2.447) 2.615 3.840 ( 1.405 0.000 -1.391) 1.977 3.934 ( -0.786 0.000 2.664) 2.778 3.976 ( 0.188 0.000 -3.273) 3.278 4.087 ( 2.717 0.000 1.914) 3.324 4.211 ( 3.726 0.000 -5.728) 6.833 4.242 ( -2.019 0.000 -1.801) 2.706 4.363 ( -6.600 0.000 3.745) 7.589 4.423 ( 0.588 0.000 1.719) 1.817 4.646 ( -2.079 0.000 -4.297) 4.774 4.658 ( 3.721 0.000 -6.775) 7.730 5.528 ( -2.181 0.000 0.862) 2.345 5.710 ( 0.924 0.000 1.256) 1.559 5.796 ( 0.354 0.000 -3.799) 3.815 5.814 ( -0.568 0.000 1.780) 1.868 5.894 ( 0.850 0.000 0.141) 0.862 5.907 ( 0.415 0.000 -0.795) 0.897 6.044 ( -2.009 0.000 -0.503) 2.071 6.082 ( -3.157 0.000 1.619) 3.548 6.217 ( 1.993 0.000 3.663) 4.170 6.309 ( -2.278 0.000 1.934) 2.989 6.567 ( 9.422 0.000 1.572) 9.553 6.614 ( -2.482 0.000 2.054) 3.221 6.744 ( 1.305 0.000 1.780) 2.207 6.851 ( -2.467 0.000 1.174) 2.732 7.071 ( 0.007 0.000 -1.899) 1.899 7.100 ( 2.364 0.000 -5.314) 5.815 7.562 ( 2.156 0.000 -0.373) 2.188 7.664 ( -2.979 0.000 -0.948) 3.127 7.718 ( -0.301 0.000 0.101) 0.317 7.788 ( -1.147 0.000 -2.312) 2.581 7.869 ( -3.300 0.000 1.875) 3.795 7.916 ( 0.387 0.000 -2.350) 2.382 8.156 ( -1.202 0.000 3.386) 3.593 8.290 ( 1.447 0.000 -0.549) 1.548 13.178 ( 1.121 0.000 -0.765) 1.358 13.395 ( -0.006 0.000 -4.014) 4.014 13.935 ( -13.108 0.000 6.172) 14.488 14.017 ( 13.158 0.000 1.152) 13.209 15.930 ( -4.820 0.000 2.206) 5.300 15.944 ( 6.594 0.000 2.096) 6.920 16.393 ( -10.467 0.000 2.185) 10.693 16.538 ( -11.271 0.000 -1.684) 11.396 16.857 ( -3.974 0.000 4.501) 6.004 17.167 ( 3.797 0.000 -4.350) 5.775 18.380 ( -14.490 0.000 0.799) 14.512 18.565 ( 6.884 0.000 -4.208) 8.068 19.938 ( 0.169 0.000 0.186) 0.251 20.015 ( 1.277 0.000 -2.538) 2.842 20.247 ( 0.528 0.000 2.432) 2.489 20.365 ( 0.403 0.000 -0.337) 0.525 21.370 ( -0.350 0.000 2.265) 2.292 21.439 ( 0.288 0.000 0.340) 0.446 22.208 ( -6.199 0.000 6.709) 9.134 22.529 ( 16.271 0.000 -2.612) 16.479 22.927 ( 4.540 0.000 -1.615) 4.819 22.941 ( -8.455 0.000 -1.441) 8.577 23.197 ( -0.771 0.000 2.288) 2.415 23.252 ( -0.668 0.000 0.216) 0.702 45.600 ( -1.264 0.000 1.552) 2.002 45.690 ( 1.309 0.000 -1.056) 1.682 46.644 ( -1.460 0.000 2.115) 2.570 46.712 ( -0.090 0.000 0.069) 0.113 46.737 ( 1.913 0.000 2.211) 2.924 46.924 ( 1.684 0.000 -2.864) 3.322 47.560 ( -1.962 0.000 1.628) 2.549 47.643 ( 1.944 0.000 -0.753) 2.085 95.610 ( 3.643 0.000 0.389) 3.663 95.649 ( -0.637 0.000 -1.361) 1.503 95.820 ( 1.413 0.000 2.323) 2.719 95.932 ( -0.764 0.000 -0.116) 0.773 96.093 ( -2.177 0.000 2.485) 3.304 96.176 ( 0.941 0.000 -0.061) 0.943 96.284 ( -0.685 0.000 6.547) 6.582 96.767 ( 3.568 0.000 -7.036) 7.889 98.465 ( -2.480 0.000 1.603) 2.954 98.570 ( 2.903 0.000 -1.179) 3.133 99.287 ( -0.969 0.000 7.808) 7.867 99.929 ( -6.962 0.000 -9.794) 12.016 104.740 ( 0.047 0.000 0.484) 0.487 104.747 ( 0.837 0.000 0.175) 0.855 104.777 ( -1.152 0.000 0.798) 1.401 104.945 ( 1.416 0.000 -4.400) 4.622 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 5.684 0.000 13.200) 14.372 1.198 ( -1.657 0.000 -1.982) 2.583 1.341 ( -0.263 0.000 19.540) 19.542 1.420 ( -4.684 0.000 6.675) 8.155 1.774 ( -9.310 0.000 -16.723) 19.140 1.869 ( 5.936 0.000 7.830) 9.825 1.881 ( -0.951 0.000 -13.410) 13.443 1.979 ( -7.463 0.000 -10.577) 12.945 2.020 ( -0.696 0.000 14.659) 14.675 2.131 ( 10.367 0.000 23.016) 25.243 2.483 ( 7.882 0.000 -2.964) 8.421 2.589 ( 1.508 0.000 -0.244) 1.528 2.657 ( 5.936 0.000 -1.659) 6.164 2.669 ( 0.079 0.000 -6.359) 6.359 2.790 ( -2.273 0.000 -0.088) 2.274 2.803 ( -1.140 0.000 -1.810) 2.139 2.929 ( -1.730 0.000 2.053) 2.685 2.987 ( -0.862 0.000 1.461) 1.696 3.180 ( -2.359 0.000 -3.228) 3.998 3.199 ( -0.376 0.000 -0.291) 0.475 3.299 ( -1.979 0.000 1.952) 2.780 3.450 ( -6.707 0.000 -4.792) 8.243 3.491 ( -1.347 0.000 -1.707) 2.175 3.568 ( 3.922 0.000 -0.454) 3.948 3.678 ( -3.172 0.000 2.210) 3.866 3.757 ( -0.276 0.000 3.596) 3.607 3.845 ( 0.409 0.000 0.497) 0.643 3.945 ( 1.089 0.000 -3.303) 3.477 3.969 ( 0.963 0.000 1.632) 1.895 4.119 ( -0.928 0.000 1.482) 1.749 4.181 ( -2.320 0.000 -1.830) 2.954 4.198 ( 4.947 0.000 -5.882) 7.686 4.326 ( -3.777 0.000 2.140) 4.341 4.438 ( -0.951 0.000 0.736) 1.202 4.625 ( 3.192 0.000 -1.499) 3.526 4.641 ( 5.692 0.000 -4.718) 7.394 5.539 ( -0.597 0.000 3.389) 3.441 5.717 ( 0.537 0.000 -3.338) 3.381 5.777 ( 1.727 0.000 1.224) 2.117 5.819 ( -1.231 0.000 0.354) 1.281 5.887 ( 0.396 0.000 -1.912) 1.952 5.927 ( 2.246 0.000 0.106) 2.249 6.011 ( -2.566 0.000 1.602) 3.025 6.078 ( -1.509 0.000 2.077) 2.568 6.292 ( -2.841 0.000 0.890) 2.977 6.297 ( 2.002 0.000 2.862) 3.493 6.563 ( -5.619 0.000 -0.869) 5.685 6.646 ( 1.324 0.000 -0.082) 1.327 6.803 ( 1.620 0.000 3.250) 3.632 6.814 ( -4.229 0.000 0.447) 4.253 7.037 ( 0.240 0.000 -3.131) 3.140 7.081 ( 4.219 0.000 -3.837) 5.703 7.596 ( -2.852 0.000 -1.830) 3.389 7.598 ( 2.139 0.000 0.592) 2.219 7.721 ( -0.373 0.000 1.087) 1.149 7.752 ( -0.750 0.000 -1.155) 1.377 7.836 ( -3.581 0.000 0.972) 3.711 7.898 ( -0.622 0.000 0.174) 0.646 8.174 ( -2.002 0.000 2.293) 3.044 8.299 ( 1.186 0.000 -1.038) 1.576 13.191 ( -0.714 0.000 2.132) 2.248 13.322 ( -0.908 0.000 -4.836) 4.921 13.793 ( -13.582 0.000 2.989) 13.907 14.197 ( 8.882 0.000 2.083) 9.123 15.838 ( -8.939 0.000 0.817) 8.976 16.093 ( 8.487 0.000 2.236) 8.777 16.261 ( -11.190 0.000 3.472) 11.716 16.495 ( -0.283 0.000 5.960) 5.967 16.863 ( -3.518 0.000 4.430) 5.657 17.165 ( 4.139 0.000 -4.230) 5.918 18.276 ( -5.107 0.000 3.184) 6.019 18.640 ( 9.557 0.000 -2.913) 9.991 19.944 ( 0.329 0.000 0.180) 0.375 20.004 ( 1.702 0.000 -2.194) 2.777 20.278 ( -0.288 0.000 1.841) 1.863 20.362 ( 0.401 0.000 -1.063) 1.136 21.389 ( -1.057 0.000 1.767) 2.059 21.435 ( -1.099 0.000 -0.035) 1.100 22.186 ( -7.748 0.000 4.724) 9.075 22.603 ( 1.825 0.000 -5.278) 5.584 22.854 ( -0.610 0.000 -0.806) 1.011 22.981 ( 4.406 0.000 -0.503) 4.435 23.219 ( -0.621 0.000 2.130) 2.218 23.242 ( -0.716 0.000 -0.150) 0.731 45.600 ( -1.579 0.000 1.374) 2.094 45.692 ( 0.936 0.000 -1.106) 1.449 46.650 ( -1.551 0.000 2.186) 2.680 46.706 ( -0.813 0.000 0.055) 0.815 46.793 ( 0.903 0.000 1.905) 2.108 46.876 ( -1.001 0.000 -4.084) 4.205 47.563 ( -0.419 0.000 1.306) 1.371 47.675 ( 3.517 0.000 -0.624) 3.572 95.619 ( -0.737 0.000 -1.543) 1.710 95.667 ( 3.957 0.000 -0.750) 4.027 95.874 ( 1.685 0.000 2.219) 2.786 95.920 ( 0.030 0.000 -0.970) 0.970 96.085 ( -2.772 0.000 1.733) 3.269 96.185 ( -0.009 0.000 0.056) 0.057 96.372 ( -0.075 0.000 6.681) 6.681 96.690 ( 0.993 0.000 -8.080) 8.141 98.451 ( -2.213 0.000 1.410) 2.624 98.604 ( 3.848 0.000 -1.228) 4.039 99.392 ( -2.140 0.000 9.936) 10.164 99.687 ( -8.123 0.000 -7.119) 10.801 104.745 ( -0.188 0.000 0.361) 0.407 104.750 ( -0.345 0.000 -0.049) 0.348 104.788 ( 0.241 0.000 1.434) 1.454 104.899 ( 0.871 0.000 -4.089) 4.181 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.303 0.000 -7.996) 8.102 1.145 ( 4.384 0.000 8.736) 9.774 1.381 ( -6.843 0.000 -17.626) 18.908 1.442 ( -8.335 0.000 10.576) 13.466 1.565 ( -2.926 0.000 13.741) 14.049 1.658 ( -4.766 0.000 -10.481) 11.514 1.786 ( -1.156 0.000 -7.516) 7.605 1.961 ( -3.824 0.000 5.996) 7.112 2.287 ( 7.102 0.000 12.208) 14.124 2.491 ( 8.357 0.000 1.166) 8.438 2.517 ( 6.547 0.000 -7.649) 10.068 2.595 ( 3.043 0.000 -3.955) 4.990 2.638 ( 2.727 0.000 0.847) 2.855 2.722 ( -0.551 0.000 2.317) 2.382 2.781 ( 4.399 0.000 -2.140) 4.892 2.825 ( 2.727 0.000 7.226) 7.724 2.948 ( -2.528 0.000 -1.844) 3.129 2.954 ( 0.195 0.000 2.795) 2.802 3.075 ( -6.013 0.000 -2.050) 6.353 3.189 ( 0.741 0.000 -1.217) 1.425 3.265 ( -5.777 0.000 1.073) 5.876 3.334 ( -1.971 0.000 -2.015) 2.818 3.469 ( -1.383 0.000 1.134) 1.788 3.610 ( 1.256 0.000 0.424) 1.326 3.671 ( -1.865 0.000 2.792) 3.358 3.806 ( 0.738 0.000 1.864) 2.005 3.872 ( 0.105 0.000 2.634) 2.636 3.902 ( 0.685 0.000 -4.406) 4.459 4.005 ( 1.535 0.000 0.947) 1.804 4.117 ( -3.190 0.000 2.310) 3.938 4.126 ( -2.213 0.000 -1.168) 2.503 4.181 ( 5.021 0.000 -6.651) 8.333 4.307 ( -2.591 0.000 1.723) 3.112 4.449 ( -0.235 0.000 3.576) 3.584 4.663 ( 3.856 0.000 -1.468) 4.126 4.690 ( 6.539 0.000 -2.164) 6.888 5.592 ( -0.574 0.000 4.734) 4.769 5.689 ( 2.929 0.000 -3.335) 4.439 5.787 ( -0.593 0.000 -2.323) 2.398 5.833 ( 1.269 0.000 2.474) 2.780 5.875 ( 0.139 0.000 -0.572) 0.589 5.944 ( 2.208 0.000 -1.935) 2.937 6.037 ( -0.779 0.000 5.226) 5.284 6.084 ( -1.219 0.000 1.531) 1.957 6.245 ( -3.452 0.000 -1.015) 3.598 6.351 ( 1.407 0.000 1.219) 1.862 6.428 ( -7.745 0.000 -3.605) 8.543 6.648 ( -0.787 0.000 0.566) 0.969 6.738 ( -4.540 0.000 -1.552) 4.798 6.868 ( 0.063 0.000 3.916) 3.917 6.988 ( -0.655 0.000 -3.430) 3.492 7.118 ( 4.823 0.000 -0.838) 4.895 7.539 ( -1.568 0.000 -1.440) 2.129 7.635 ( 0.699 0.000 1.503) 1.658 7.727 ( -0.487 0.000 -1.078) 1.183 7.735 ( -0.215 0.000 1.408) 1.425 7.800 ( -2.768 0.000 0.889) 2.907 7.902 ( -1.235 0.000 2.176) 2.502 8.160 ( -3.555 0.000 1.698) 3.940 8.296 ( 1.099 0.000 -1.721) 2.042 13.203 ( -3.963 0.000 3.650) 5.388 13.246 ( -0.212 0.000 -4.232) 4.238 13.642 ( -9.959 0.000 1.197) 10.031 14.340 ( 6.395 0.000 1.350) 6.536 15.728 ( -7.237 0.000 1.221) 7.339 16.104 ( -3.878 0.000 -3.344) 5.121 16.315 ( 2.249 0.000 10.587) 10.823 16.615 ( 3.271 0.000 5.600) 6.486 16.881 ( -2.386 0.000 4.284) 4.904 17.171 ( 4.655 0.000 -4.094) 6.199 18.282 ( -1.037 0.000 3.413) 3.567 18.755 ( 9.318 0.000 -1.314) 9.410 19.954 ( 0.401 0.000 0.402) 0.568 20.000 ( 1.622 0.000 -2.051) 2.615 20.295 ( -0.622 0.000 1.601) 1.717 20.350 ( 0.773 0.000 -1.562) 1.743 21.388 ( -1.595 0.000 0.992) 1.878 21.409 ( -1.732 0.000 -0.368) 1.771 22.115 ( -7.952 0.000 2.339) 8.289 22.500 ( -5.130 0.000 -3.503) 6.212 22.864 ( 3.701 0.000 -2.337) 4.377 23.037 ( 3.212 0.000 0.196) 3.218 23.228 ( -0.615 0.000 -0.178) 0.641 23.233 ( -1.168 0.000 1.507) 1.907 45.593 ( -1.788 0.000 1.190) 2.148 45.687 ( 0.651 0.000 -1.169) 1.338 46.660 ( -1.012 0.000 1.897) 2.150 46.686 ( -1.935 0.000 -0.350) 1.967 46.798 ( -1.132 0.000 -3.657) 3.828 46.811 ( -1.099 0.000 0.977) 1.471 47.583 ( 0.711 0.000 1.055) 1.273 47.724 ( 4.242 0.000 -0.941) 4.345 95.585 ( -0.666 0.000 -1.541) 1.679 95.705 ( 3.391 0.000 -1.416) 3.675 95.903 ( 0.137 0.000 -1.653) 1.659 95.933 ( 1.807 0.000 2.186) 2.836 96.066 ( -2.554 0.000 1.540) 2.982 96.176 ( -0.780 0.000 -0.314) 0.841 96.465 ( 0.159 0.000 6.029) 6.031 96.581 ( -0.398 0.000 -7.585) 7.595 98.441 ( -1.870 0.000 1.404) 2.339 98.646 ( 4.447 0.000 -1.827) 4.807 99.488 ( -4.886 0.000 10.357) 11.452 99.497 ( -5.328 0.000 -5.513) 7.667 104.741 ( -0.492 0.000 -0.263) 0.558 104.743 ( -0.337 0.000 -0.145) 0.367 104.815 ( 0.124 0.000 1.856) 1.860 104.866 ( 1.088 0.000 -2.395) 2.630 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 4.234 0.000 -7.960) 9.016 1.076 ( 0.555 0.000 -9.257) 9.273 1.349 ( 4.738 0.000 3.184) 5.708 1.448 ( -9.385 0.000 8.807) 12.870 1.490 ( -1.549 0.000 -5.252) 5.476 1.630 ( -7.020 0.000 5.458) 8.892 1.728 ( 2.365 0.000 -1.881) 3.022 1.974 ( -4.108 0.000 5.451) 6.826 2.472 ( 5.611 0.000 -10.872) 12.235 2.509 ( 3.619 0.000 6.809) 7.711 2.548 ( 1.829 0.000 -8.365) 8.563 2.560 ( 3.647 0.000 0.267) 3.657 2.684 ( 1.863 0.000 1.262) 2.250 2.722 ( 0.392 0.000 -1.040) 1.112 2.812 ( -2.209 0.000 4.279) 4.816 2.928 ( 5.160 0.000 -3.646) 6.318 2.954 ( -1.270 0.000 -1.067) 1.659 2.984 ( 0.316 0.000 1.121) 1.165 3.037 ( 1.558 0.000 5.936) 6.137 3.168 ( 0.743 0.000 -4.119) 4.186 3.193 ( -5.281 0.000 1.702) 5.548 3.311 ( -0.319 0.000 -0.359) 0.480 3.467 ( -2.385 0.000 2.585) 3.517 3.618 ( -1.472 0.000 1.179) 1.886 3.706 ( 1.160 0.000 2.346) 2.617 3.814 ( 0.561 0.000 -1.603) 1.698 3.857 ( 1.055 0.000 -3.312) 3.476 3.902 ( -0.900 0.000 1.303) 1.583 4.046 ( 1.226 0.000 1.345) 1.821 4.087 ( -3.344 0.000 1.705) 3.754 4.088 ( -1.917 0.000 0.870) 2.105 4.169 ( 3.021 0.000 -3.907) 4.939 4.299 ( -1.364 0.000 1.266) 1.861 4.532 ( -0.597 0.000 7.724) 7.747 4.681 ( 2.536 0.000 -2.938) 3.881 4.749 ( 5.068 0.000 -2.393) 5.604 5.641 ( -1.796 0.000 4.233) 4.598 5.717 ( 4.917 0.000 -1.224) 5.067 5.750 ( 0.432 0.000 -2.612) 2.647 5.869 ( -0.046 0.000 -0.494) 0.496 5.870 ( 0.306 0.000 0.783) 0.840 5.952 ( 2.652 0.000 -2.057) 3.356 6.082 ( -1.678 0.000 1.119) 2.017 6.113 ( -0.254 0.000 4.566) 4.573 6.170 ( -3.194 0.000 -0.687) 3.267 6.250 ( -6.956 0.000 -4.885) 8.500 6.376 ( 1.010 0.000 -0.086) 1.013 6.647 ( -0.250 0.000 0.226) 0.337 6.650 ( -3.434 0.000 -1.842) 3.897 6.892 ( -2.238 0.000 -1.112) 2.499 6.944 ( -1.030 0.000 2.157) 2.390 7.184 ( 4.141 0.000 0.049) 4.141 7.511 ( -0.396 0.000 -0.565) 0.690 7.664 ( -1.006 0.000 3.064) 3.225 7.710 ( -0.064 0.000 -0.682) 0.685 7.752 ( -0.125 0.000 1.334) 1.340 7.781 ( -1.531 0.000 0.783) 1.720 7.916 ( -1.713 0.000 2.646) 3.152 8.125 ( -4.294 0.000 2.010) 4.741 8.287 ( 1.378 0.000 -1.934) 2.375 13.159 ( -7.671 0.000 2.403) 8.039 13.201 ( 1.084 0.000 -3.162) 3.342 13.546 ( -4.273 0.000 0.329) 4.285 14.400 ( 2.613 0.000 -3.124) 4.073 15.658 ( -4.936 0.000 1.645) 5.203 15.997 ( -4.316 0.000 -3.031) 5.274 16.477 ( 0.577 0.000 7.872) 7.893 16.710 ( 1.528 0.000 2.119) 2.613 16.908 ( -1.945 0.000 3.723) 4.201 17.188 ( 5.078 0.000 -3.868) 6.383 18.324 ( -0.381 0.000 3.403) 3.424 18.857 ( 5.790 0.000 -0.990) 5.874 19.969 ( 0.365 0.000 1.029) 1.092 19.996 ( 1.688 0.000 -1.722) 2.412 20.306 ( -0.769 0.000 1.408) 1.604 20.346 ( 1.518 0.000 -1.356) 2.035 21.375 ( -1.410 0.000 0.515) 1.501 21.380 ( -1.284 0.000 -0.506) 1.380 22.040 ( -5.421 0.000 2.185) 5.845 22.383 ( -4.560 0.000 -2.290) 5.102 22.886 ( 3.704 0.000 -2.378) 4.402 23.077 ( 1.548 0.000 0.175) 1.557 23.224 ( -0.108 0.000 0.554) 0.564 23.227 ( -1.717 0.000 0.780) 1.886 45.582 ( -1.735 0.000 1.152) 2.083 45.680 ( 0.628 0.000 -1.213) 1.367 46.632 ( -2.384 0.000 -2.169) 3.223 46.666 ( -1.002 0.000 0.589) 1.163 46.766 ( 0.617 0.000 -0.307) 0.689 46.801 ( -1.603 0.000 1.233) 2.022 47.609 ( 0.889 0.000 0.849) 1.230 47.766 ( 3.754 0.000 -1.721) 4.130 95.563 ( 0.170 0.000 -0.813) 0.831 95.735 ( 3.060 0.000 -0.930) 3.198 95.882 ( 0.107 0.000 -1.141) 1.146 95.979 ( 1.172 0.000 0.706) 1.368 96.064 ( -1.672 0.000 3.009) 3.443 96.160 ( -0.217 0.000 -0.795) 0.824 96.476 ( 0.222 0.000 -6.604) 6.607 96.533 ( -1.227 0.000 4.214) 4.389 98.436 ( -1.551 0.000 1.501) 2.159 98.679 ( 4.259 0.000 -2.813) 5.104 99.372 ( -2.328 0.000 -4.156) 4.764 99.522 ( -8.136 0.000 7.717) 11.214 104.726 ( -0.413 0.000 -0.778) 0.881 104.736 ( -0.139 0.000 -0.306) 0.336 104.841 ( -0.495 0.000 2.139) 2.195 104.865 ( 1.429 0.000 -0.642) 1.567 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 5.800 0.000 -3.836) 6.954 1.136 ( 10.718 0.000 4.693) 11.700 1.371 ( -0.693 0.000 -2.179) 2.286 1.407 ( -10.266 0.000 5.741) 11.762 1.522 ( 5.600 0.000 3.479) 6.593 1.537 ( -10.456 0.000 1.972) 10.640 1.798 ( 5.982 0.000 2.570) 6.511 1.995 ( -3.422 0.000 4.821) 5.912 2.381 ( 4.761 0.000 -13.341) 14.165 2.428 ( 0.816 0.000 -9.663) 9.698 2.542 ( -4.008 0.000 -3.607) 5.392 2.622 ( 1.990 0.000 3.505) 4.030 2.734 ( 1.461 0.000 0.877) 1.704 2.742 ( 1.853 0.000 2.123) 2.818 2.859 ( 0.437 0.000 3.997) 4.021 2.898 ( -3.124 0.000 -0.383) 3.147 2.953 ( 4.702 0.000 -4.468) 6.486 3.031 ( 1.340 0.000 0.659) 1.493 3.079 ( -1.927 0.000 0.389) 1.966 3.102 ( -0.089 0.000 -4.561) 4.562 3.167 ( -3.121 0.000 3.261) 4.514 3.283 ( -0.486 0.000 -1.141) 1.240 3.480 ( -1.376 0.000 3.407) 3.674 3.604 ( -1.724 0.000 0.417) 1.774 3.743 ( 1.325 0.000 -0.236) 1.346 3.802 ( 0.740 0.000 -0.949) 1.204 3.838 ( 0.354 0.000 -1.137) 1.191 3.853 ( -2.909 0.000 -3.941) 4.898 4.062 ( -0.273 0.000 -0.399) 0.484 4.104 ( -0.680 0.000 3.382) 3.449 4.113 ( -2.949 0.000 7.085) 7.674 4.152 ( 4.116 0.000 -4.310) 5.959 4.300 ( -0.089 0.000 0.373) 0.383 4.613 ( -3.668 0.000 7.261) 8.135 4.658 ( 1.297 0.000 -4.075) 4.277 4.762 ( 3.098 0.000 -4.087) 5.129 5.656 ( -3.180 0.000 3.269) 4.560 5.729 ( 1.242 0.000 -2.034) 2.383 5.782 ( 3.693 0.000 -0.193) 3.698 5.861 ( 0.207 0.000 -0.656) 0.688 5.866 ( 0.653 0.000 -1.142) 1.316 5.942 ( 0.533 0.000 -4.090) 4.125 6.068 ( -1.861 0.000 0.907) 2.070 6.074 ( -2.882 0.000 -1.516) 3.256 6.139 ( -0.201 0.000 -0.639) 0.670 6.212 ( -0.988 0.000 4.971) 5.068 6.382 ( 0.479 0.000 -0.706) 0.853 6.599 ( -1.039 0.000 -0.157) 1.051 6.633 ( -0.068 0.000 -2.410) 2.411 6.812 ( -2.896 0.000 -2.577) 3.877 6.990 ( -0.492 0.000 4.605) 4.631 7.230 ( 3.131 0.000 -1.353) 3.410 7.510 ( 0.253 0.000 0.589) 0.641 7.694 ( -1.872 0.000 4.019) 4.433 7.709 ( 0.444 0.000 0.295) 0.533 7.766 ( -1.355 0.000 -0.171) 1.365 7.772 ( -0.593 0.000 2.174) 2.253 7.920 ( -2.071 0.000 1.877) 2.795 8.103 ( -2.874 0.000 2.942) 4.113 8.286 ( 1.685 0.000 -1.511) 2.263 13.061 ( -6.710 0.000 -0.018) 6.710 13.184 ( 2.136 0.000 -2.903) 3.604 13.516 ( -1.265 0.000 0.986) 1.604 14.321 ( -1.378 0.000 -9.203) 9.305 15.624 ( -3.043 0.000 1.857) 3.565 15.887 ( -3.542 0.000 -4.110) 5.426 16.541 ( -2.721 0.000 3.811) 4.683 16.716 ( -1.592 0.000 -1.152) 1.965 16.918 ( -2.941 0.000 2.749) 4.026 17.207 ( 4.624 0.000 -3.991) 6.108 18.357 ( -1.872 0.000 3.578) 4.038 18.886 ( 2.375 0.000 -3.435) 4.176 19.993 ( 0.101 0.000 1.657) 1.660 20.011 ( 2.454 0.000 -0.424) 2.490 20.311 ( -0.974 0.000 1.197) 1.544 20.354 ( 1.423 0.000 -0.898) 1.683 21.355 ( -0.949 0.000 -0.609) 1.127 21.364 ( -0.876 0.000 0.280) 0.920 22.037 ( -1.624 0.000 4.769) 5.038 22.310 ( -1.824 0.000 -1.206) 2.187 22.908 ( 3.351 0.000 -1.818) 3.813 23.080 ( -0.176 0.000 -1.349) 1.361 23.212 ( -1.610 0.000 0.998) 1.895 23.244 ( 0.689 0.000 1.490) 1.642 45.575 ( -1.468 0.000 1.251) 1.929 45.673 ( 0.868 0.000 -1.230) 1.505 46.578 ( -0.558 0.000 -1.753) 1.840 46.641 ( -1.731 0.000 -0.969) 1.984 46.794 ( 1.546 0.000 1.587) 2.216 46.811 ( -0.508 0.000 2.246) 2.303 47.630 ( 0.231 0.000 0.759) 0.793 47.782 ( 2.403 0.000 -2.522) 3.483 95.574 ( 1.382 0.000 0.809) 1.601 95.768 ( 2.428 0.000 -0.525) 2.484 95.885 ( 0.659 0.000 0.839) 1.067 95.989 ( -0.179 0.000 0.104) 0.207 96.099 ( -0.953 0.000 4.138) 4.247 96.145 ( 0.139 0.000 -1.362) 1.369 96.414 ( 3.276 0.000 -5.444) 6.354 96.539 ( -3.419 0.000 1.533) 3.747 98.437 ( -1.327 0.000 1.750) 2.197 98.689 ( 3.210 0.000 -3.819) 4.989 99.308 ( 0.240 0.000 -2.865) 2.875 99.465 ( -9.340 0.000 3.091) 9.838 104.712 ( -0.018 0.000 -0.665) 0.666 104.730 ( 0.017 0.000 -0.466) 0.466 104.859 ( -1.276 0.000 2.122) 2.476 104.886 ( 1.706 0.000 0.276) 1.728 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.560 0.000 2.811) 3.215 1.248 ( -7.164 0.000 -0.828) 7.212 1.297 ( -10.156 0.000 1.829) 10.320 1.432 ( -10.855 0.000 6.050) 12.427 1.506 ( 15.112 0.000 10.608) 18.464 1.705 ( 8.835 0.000 6.522) 10.982 1.964 ( 9.718 0.000 3.539) 10.342 1.992 ( -4.439 0.000 2.444) 5.067 2.253 ( 2.646 0.000 -10.281) 10.616 2.329 ( 4.411 0.000 -10.049) 10.974 2.342 ( -9.847 0.000 -8.568) 13.052 2.655 ( -7.405 0.000 -6.396) 9.785 2.706 ( -1.282 0.000 -1.235) 1.780 2.755 ( -0.600 0.000 0.411) 0.728 2.845 ( -1.311 0.000 0.558) 1.425 2.901 ( 2.335 0.000 -8.987) 9.286 2.946 ( 1.698 0.000 4.628) 4.930 3.030 ( 1.057 0.000 1.174) 1.580 3.066 ( -0.627 0.000 1.320) 1.461 3.081 ( 0.980 0.000 0.324) 1.032 3.188 ( -1.653 0.000 4.584) 4.873 3.320 ( 2.546 0.000 2.966) 3.909 3.525 ( 0.906 0.000 3.560) 3.674 3.577 ( -1.581 0.000 -0.932) 1.836 3.736 ( -2.662 0.000 -4.998) 5.663 3.754 ( 1.470 0.000 -0.974) 1.763 3.812 ( 0.705 0.000 0.023) 0.705 3.831 ( 0.153 0.000 -0.136) 0.205 4.015 ( -2.522 0.000 -2.380) 3.467 4.083 ( -4.793 0.000 0.774) 4.856 4.148 ( 0.062 0.000 3.048) 3.049 4.235 ( 5.557 0.000 -0.533) 5.583 4.311 ( 0.670 0.000 1.036) 1.233 4.609 ( -4.473 0.000 0.696) 4.527 4.626 ( 0.972 0.000 -1.654) 1.919 4.752 ( 2.046 0.000 -1.990) 2.854 5.641 ( -4.282 0.000 2.815) 5.124 5.733 ( 2.190 0.000 -1.054) 2.430 5.779 ( -0.953 0.000 -1.652) 1.907 5.848 ( -0.553 0.000 -3.628) 3.670 5.855 ( 0.409 0.000 -0.915) 1.002 5.930 ( 4.487 0.000 -0.687) 4.539 6.032 ( -1.098 0.000 -0.047) 1.099 6.054 ( -1.801 0.000 0.972) 2.047 6.180 ( 0.740 0.000 2.792) 2.889 6.247 ( -0.066 0.000 2.435) 2.436 6.367 ( -0.837 0.000 -1.229) 1.487 6.570 ( 0.109 0.000 -5.920) 5.921 6.620 ( 1.317 0.000 2.405) 2.742 6.759 ( -0.712 0.000 -1.189) 1.386 7.043 ( -0.634 0.000 3.634) 3.689 7.241 ( 2.369 0.000 -2.670) 3.570 7.537 ( 1.044 0.000 1.992) 2.249 7.706 ( -1.869 0.000 0.158) 1.875 7.733 ( 0.639 0.000 1.912) 2.015 7.738 ( -2.515 0.000 1.835) 3.113 7.795 ( -1.222 0.000 2.822) 3.075 7.909 ( -1.760 0.000 0.779) 1.925 8.128 ( -0.457 0.000 3.722) 3.750 8.290 ( 1.329 0.000 -1.352) 1.896 12.988 ( -2.146 0.000 -0.179) 2.154 13.175 ( 3.085 0.000 -4.000) 5.051 13.535 ( -0.175 0.000 3.348) 3.352 14.115 ( -3.874 0.000 -13.358) 13.908 15.620 ( -1.191 0.000 2.222) 2.521 15.785 ( -1.743 0.000 -4.245) 4.589 16.526 ( -3.924 0.000 2.072) 4.437 16.640 ( -4.687 0.000 -2.328) 5.234 16.902 ( -4.116 0.000 2.620) 4.880 17.209 ( 3.797 0.000 -4.566) 5.938 18.373 ( -3.702 0.000 4.799) 6.061 18.847 ( 1.737 0.000 -5.849) 6.102 20.014 ( -0.644 0.000 1.632) 1.755 20.051 ( 2.487 0.000 0.458) 2.529 20.311 ( -1.167 0.000 1.009) 1.543 20.359 ( 0.718 0.000 -0.732) 1.025 21.338 ( -0.437 0.000 -0.166) 0.467 21.356 ( -0.573 0.000 0.029) 0.574 22.101 ( -0.960 0.000 5.809) 5.888 22.291 ( 0.867 0.000 -0.911) 1.258 22.938 ( 3.316 0.000 -0.876) 3.429 23.039 ( -0.382 0.000 -3.383) 3.405 23.209 ( -1.743 0.000 1.965) 2.627 23.281 ( 1.120 0.000 1.604) 1.957 45.574 ( -1.186 0.000 1.312) 1.769 45.671 ( 1.246 0.000 -1.227) 1.749 46.570 ( 1.437 0.000 -0.516) 1.527 46.597 ( -1.749 0.000 -1.205) 2.124 46.837 ( -0.388 0.000 1.892) 1.931 46.846 ( 1.818 0.000 1.698) 2.488 47.637 ( -0.869 0.000 0.912) 1.260 47.768 ( 0.834 0.000 -2.864) 2.982 95.625 ( 2.015 0.000 2.545) 3.246 95.780 ( 0.546 0.000 -1.451) 1.550 95.920 ( 0.417 0.000 2.527) 2.562 95.990 ( -0.570 0.000 1.165) 1.297 96.123 ( -0.023 0.000 -1.873) 1.873 96.139 ( -0.905 0.000 3.361) 3.481 96.426 ( 7.048 0.000 -3.892) 8.051 96.479 ( -4.947 0.000 -0.886) 5.025 98.446 ( -1.216 0.000 2.222) 2.533 98.667 ( 1.806 0.000 -4.377) 4.735 99.295 ( 2.116 0.000 -1.465) 2.573 99.352 ( -7.714 0.000 -0.175) 7.716 104.707 ( 0.310 0.000 -0.375) 0.487 104.724 ( 0.118 0.000 -0.582) 0.594 104.862 ( -1.926 0.000 1.783) 2.624 104.921 ( 2.132 0.000 0.563) 2.205 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -12.129 0.000 -3.309) 12.572 1.069 ( -17.617 0.000 11.988) 21.309 1.265 ( 0.618 0.000 3.364) 3.420 1.374 ( -8.959 0.000 6.993) 11.365 1.873 ( 11.633 0.000 8.193) 14.229 1.893 ( -10.632 0.000 -4.184) 11.425 1.904 ( 8.934 0.000 0.962) 8.986 2.070 ( -8.451 0.000 -7.071) 11.019 2.132 ( 10.794 0.000 -3.988) 11.507 2.223 ( -20.707 0.000 -14.804) 25.455 2.276 ( 5.165 0.000 1.697) 5.437 2.293 ( 8.738 0.000 0.229) 8.741 2.735 ( -2.819 0.000 0.809) 2.933 2.759 ( 2.454 0.000 2.126) 3.247 2.806 ( -0.424 0.000 -4.749) 4.768 2.854 ( 0.927 0.000 0.410) 1.013 3.015 ( 0.320 0.000 1.965) 1.991 3.066 ( 0.269 0.000 0.980) 1.016 3.093 ( 0.646 0.000 -1.645) 1.767 3.121 ( 3.800 0.000 3.218) 4.980 3.240 ( 0.437 0.000 3.632) 3.658 3.404 ( 3.977 0.000 1.482) 4.244 3.533 ( -1.045 0.000 -2.214) 2.448 3.587 ( 1.976 0.000 0.176) 1.984 3.679 ( 0.005 0.000 1.805) 1.805 3.743 ( 0.390 0.000 -2.885) 2.911 3.796 ( -1.301 0.000 -2.453) 2.777 3.855 ( 1.808 0.000 1.488) 2.341 3.967 ( -1.518 0.000 1.127) 1.890 4.023 ( -3.575 0.000 -0.380) 3.595 4.188 ( 0.254 0.000 2.266) 2.280 4.259 ( 2.197 0.000 -3.007) 3.724 4.338 ( 0.186 0.000 1.430) 1.442 4.523 ( -3.191 0.000 -3.797) 4.960 4.666 ( 1.842 0.000 4.132) 4.524 4.759 ( 1.886 0.000 -1.856) 2.646 5.623 ( -3.901 0.000 3.697) 5.374 5.742 ( -0.432 0.000 -1.828) 1.879 5.757 ( 1.891 0.000 -0.130) 1.895 5.800 ( -0.735 0.000 -1.307) 1.499 5.846 ( 0.345 0.000 -1.245) 1.292 5.956 ( 3.692 0.000 -4.851) 6.096 6.040 ( -2.024 0.000 0.942) 2.233 6.050 ( -0.143 0.000 2.900) 2.904 6.214 ( -2.649 0.000 5.627) 6.219 6.308 ( 4.134 0.000 1.336) 4.344 6.314 ( -2.788 0.000 -2.492) 3.740 6.496 ( 2.750 0.000 -7.081) 7.596 6.688 ( 2.237 0.000 3.047) 3.780 6.742 ( 0.986 0.000 -2.220) 2.429 7.067 ( -1.960 0.000 2.348) 3.059 7.230 ( 1.626 0.000 -3.011) 3.422 7.593 ( 1.481 0.000 2.970) 3.318 7.656 ( -1.565 0.000 -2.078) 2.601 7.738 ( -1.691 0.000 1.584) 2.317 7.782 ( 0.427 0.000 3.701) 3.726 7.815 ( -1.918 0.000 3.495) 3.986 7.897 ( -0.209 0.000 -0.043) 0.213 8.171 ( -0.694 0.000 2.798) 2.883 8.282 ( 0.658 0.000 -1.916) 2.026 13.000 ( 2.402 0.000 1.402) 2.781 13.159 ( 4.102 0.000 -5.887) 7.175 13.610 ( 0.338 0.000 7.262) 7.270 13.859 ( -4.673 0.000 -12.739) 13.569 15.655 ( 0.878 0.000 3.204) 3.322 15.725 ( 0.750 0.000 -3.015) 3.107 16.504 ( -3.775 0.000 3.249) 4.980 16.535 ( -6.490 0.000 0.362) 6.500 16.878 ( -4.673 0.000 3.473) 5.822 17.196 ( 3.513 0.000 -4.652) 5.829 18.393 ( -4.756 0.000 7.357) 8.760 18.781 ( 1.514 0.000 -6.858) 7.023 20.015 ( -1.572 0.000 0.857) 1.791 20.086 ( 1.632 0.000 -0.079) 1.634 20.306 ( -1.317 0.000 0.886) 1.587 20.356 ( 0.223 0.000 -0.542) 0.586 21.340 ( 0.463 0.000 0.417) 0.623 21.346 ( -0.602 0.000 -0.180) 0.628 22.149 ( -2.667 0.000 4.586) 5.305 22.290 ( 1.615 0.000 -2.736) 3.177 22.984 ( 0.521 0.000 -4.218) 4.250 22.989 ( 4.041 0.000 0.615) 4.088 23.210 ( -2.280 0.000 2.281) 3.225 23.314 ( 0.972 0.000 0.552) 1.118 45.576 ( -1.002 0.000 1.292) 1.635 45.675 ( 1.593 0.000 -1.257) 2.029 46.560 ( -1.177 0.000 -0.914) 1.490 46.599 ( 2.531 0.000 0.172) 2.537 46.842 ( -1.477 0.000 0.621) 1.603 46.886 ( 1.340 0.000 0.359) 1.387 47.631 ( -2.009 0.000 1.346) 2.418 47.731 ( -0.328 0.000 -2.565) 2.586 95.692 ( 1.324 0.000 2.787) 3.085 95.737 ( -1.780 0.000 -2.952) 3.447 95.957 ( -0.960 0.000 3.164) 3.306 96.008 ( -0.361 0.000 2.207) 2.236 96.095 ( 0.125 0.000 -1.890) 1.894 96.167 ( 0.707 0.000 0.455) 0.841 96.380 ( -5.052 0.000 -2.161) 5.494 96.497 ( 7.801 0.000 -2.458) 8.179 98.462 ( -1.358 0.000 2.672) 2.997 98.625 ( 0.851 0.000 -4.177) 4.263 99.248 ( -5.147 0.000 -0.673) 5.191 99.330 ( 3.118 0.000 1.174) 3.332 104.709 ( 0.434 0.000 -0.144) 0.457 104.718 ( 0.233 0.000 -0.618) 0.660 104.853 ( -2.237 0.000 1.312) 2.593 104.963 ( 2.628 0.000 0.177) 2.634 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -15.573 0.000 -3.013) 15.862 0.995 ( -21.175 0.000 18.688) 28.242 1.266 ( -11.879 0.000 6.466) 13.525 1.401 ( -0.179 0.000 3.246) 3.251 1.513 ( -23.301 0.000 -8.052) 24.653 1.720 ( -14.427 0.000 -9.557) 17.306 1.943 ( 8.251 0.000 -6.781) 10.679 1.962 ( -6.681 0.000 0.774) 6.725 2.114 ( 9.331 0.000 -0.277) 9.335 2.175 ( 6.113 0.000 -5.834) 8.450 2.402 ( 8.606 0.000 4.082) 9.525 2.579 ( 7.419 0.000 12.704) 14.712 2.708 ( -2.051 0.000 1.196) 2.374 2.772 ( -0.211 0.000 0.458) 0.504 2.820 ( 3.199 0.000 0.651) 3.264 2.876 ( 2.110 0.000 -1.161) 2.408 2.994 ( -1.660 0.000 -4.268) 4.579 3.070 ( -1.433 0.000 1.389) 1.996 3.075 ( 1.455 0.000 -1.745) 2.272 3.231 ( 4.610 0.000 1.411) 4.821 3.286 ( 1.948 0.000 -0.140) 1.953 3.465 ( 4.884 0.000 -3.395) 5.948 3.499 ( -0.089 0.000 0.138) 0.164 3.596 ( 0.538 0.000 -0.243) 0.591 3.713 ( 1.127 0.000 -0.593) 1.273 3.726 ( -2.894 0.000 0.366) 2.917 3.756 ( 2.607 0.000 1.345) 2.933 3.886 ( 0.684 0.000 -2.437) 2.531 3.983 ( -1.215 0.000 2.496) 2.776 3.983 ( -0.517 0.000 1.246) 1.349 4.224 ( 0.655 0.000 2.059) 2.160 4.248 ( 0.535 0.000 -0.656) 0.846 4.368 ( -1.909 0.000 4.600) 4.980 4.430 ( -1.937 0.000 -3.250) 3.784 4.749 ( 2.855 0.000 -4.461) 5.297 4.780 ( 3.165 0.000 6.675) 7.387 5.628 ( -3.728 0.000 4.610) 5.929 5.715 ( 0.550 0.000 -2.284) 2.349 5.785 ( 1.275 0.000 1.019) 1.633 5.790 ( -0.406 0.000 0.876) 0.965 5.835 ( 0.464 0.000 -0.804) 0.928 5.938 ( 3.159 0.000 -4.180) 5.239 6.019 ( -2.130 0.000 0.411) 2.169 6.071 ( -0.672 0.000 1.181) 1.359 6.221 ( -3.219 0.000 -3.865) 5.029 6.263 ( -2.022 0.000 5.161) 5.543 6.404 ( 4.110 0.000 3.571) 5.444 6.442 ( 3.447 0.000 -8.359) 9.042 6.710 ( 0.629 0.000 -4.090) 4.138 6.764 ( 2.481 0.000 2.440) 3.480 7.060 ( -3.077 0.000 2.731) 4.114 7.206 ( 1.057 0.000 -3.213) 3.382 7.612 ( -0.364 0.000 -2.261) 2.290 7.655 ( 0.654 0.000 3.128) 3.196 7.730 ( -0.613 0.000 -0.065) 0.616 7.837 ( -0.365 0.000 3.407) 3.426 7.838 ( -2.298 0.000 4.201) 4.788 7.910 ( 2.530 0.000 -0.386) 2.559 8.175 ( -2.696 0.000 1.345) 3.012 8.261 ( 0.813 0.000 -2.168) 2.315 13.079 ( 4.825 0.000 1.048) 4.938 13.140 ( 4.517 0.000 -4.637) 6.473 13.646 ( -4.321 0.000 -7.070) 8.286 13.746 ( -0.509 0.000 11.651) 11.662 15.722 ( 2.980 0.000 -1.503) 3.338 15.740 ( 3.004 0.000 4.557) 5.458 16.495 ( -4.785 0.000 7.435) 8.842 16.507 ( -3.873 0.000 5.081) 6.389 16.864 ( -4.821 0.000 4.526) 6.612 17.185 ( 3.564 0.000 -4.340) 5.616 18.460 ( -3.614 0.000 12.144) 12.671 18.699 ( 0.821 0.000 -6.985) 7.033 19.992 ( -1.994 0.000 -0.206) 2.005 20.093 ( 0.663 0.000 -1.431) 1.578 20.293 ( -1.708 0.000 0.318) 1.737 20.353 ( 0.036 0.000 -0.092) 0.099 21.334 ( -0.712 0.000 0.055) 0.714 21.361 ( 1.250 0.000 0.589) 1.382 22.159 ( -3.776 0.000 4.082) 5.561 22.237 ( -0.632 0.000 -6.425) 6.456 22.938 ( 1.219 0.000 -4.176) 4.351 23.077 ( 5.173 0.000 1.897) 5.510 23.203 ( -2.683 0.000 1.947) 3.315 23.320 ( 0.581 0.000 -1.450) 1.562 45.580 ( -0.903 0.000 1.329) 1.607 45.682 ( 1.798 0.000 -1.410) 2.285 46.541 ( -0.034 0.000 -0.193) 0.196 46.641 ( 2.502 0.000 0.164) 2.508 46.810 ( -2.776 0.000 -0.509) 2.822 46.892 ( 0.481 0.000 -1.320) 1.405 47.616 ( -2.944 0.000 1.796) 3.448 47.690 ( -0.787 0.000 -1.913) 2.069 95.658 ( -2.416 0.000 -3.171) 3.986 95.727 ( -0.394 0.000 0.961) 1.039 95.976 ( -2.236 0.000 2.685) 3.494 96.034 ( -0.518 0.000 2.319) 2.376 96.087 ( 0.833 0.000 0.260) 0.873 96.146 ( 1.845 0.000 -7.832) 8.046 96.279 ( -3.884 0.000 -2.348) 4.539 96.579 ( 5.311 0.000 0.491) 5.333 98.478 ( -1.800 0.000 2.771) 3.304 98.582 ( 0.776 0.000 -3.352) 3.441 99.185 ( -3.151 0.000 0.652) 3.218 99.442 ( 4.495 0.000 7.948) 9.131 104.714 ( 0.454 0.000 -0.522) 0.692 104.715 ( 0.403 0.000 0.028) 0.403 104.835 ( -2.258 0.000 0.907) 2.434 104.998 ( 2.679 0.000 -1.153) 2.916 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -16.409 0.000 1.862) 16.515 0.748 ( -26.059 0.000 -7.250) 27.049 1.122 ( -16.767 0.000 19.450) 25.680 1.289 ( -20.242 0.000 19.934) 28.410 1.409 ( -5.145 0.000 -1.009) 5.243 1.553 ( 0.425 0.000 -0.110) 0.439 1.896 ( -6.343 0.000 3.493) 7.241 1.989 ( 9.556 0.000 -5.437) 10.994 2.150 ( 6.990 0.000 -7.525) 10.270 2.226 ( 5.347 0.000 -1.695) 5.609 2.537 ( 1.286 0.000 1.919) 2.310 2.687 ( 0.185 0.000 -0.440) 0.477 2.743 ( -2.235 0.000 3.873) 4.472 2.863 ( 4.877 0.000 3.419) 5.956 2.872 ( 2.109 0.000 -3.851) 4.391 2.872 ( 3.268 0.000 -0.410) 3.294 2.885 ( -2.869 0.000 -4.010) 4.931 3.053 ( 1.263 0.000 -4.436) 4.612 3.091 ( -1.915 0.000 4.905) 5.265 3.226 ( 2.306 0.000 -7.520) 7.866 3.298 ( 3.083 0.000 -2.823) 4.180 3.457 ( 2.543 0.000 -3.591) 4.400 3.560 ( 3.272 0.000 3.202) 4.578 3.599 ( -0.339 0.000 0.208) 0.397 3.696 ( -2.069 0.000 1.576) 2.601 3.799 ( 2.499 0.000 2.476) 3.517 3.806 ( 2.165 0.000 0.118) 2.169 3.833 ( 1.951 0.000 -0.332) 1.979 3.975 ( -2.704 0.000 0.496) 2.749 4.025 ( 0.047 0.000 2.699) 2.700 4.252 ( 1.288 0.000 -1.254) 1.797 4.263 ( 0.668 0.000 1.704) 1.830 4.384 ( -0.801 0.000 -0.452) 0.920 4.402 ( -4.383 0.000 6.353) 7.718 4.725 ( 3.933 0.000 -5.892) 7.084 4.929 ( 5.747 0.000 0.841) 5.808 5.630 ( -4.173 0.000 3.513) 5.455 5.694 ( 1.044 0.000 -2.153) 2.393 5.804 ( -0.325 0.000 1.522) 1.556 5.829 ( 1.009 0.000 2.716) 2.897 5.836 ( 0.697 0.000 -2.210) 2.317 5.931 ( 2.885 0.000 -3.676) 4.673 6.019 ( 0.906 0.000 5.787) 5.858 6.074 ( -0.872 0.000 1.035) 1.353 6.134 ( -1.655 0.000 -1.834) 2.470 6.293 ( -1.620 0.000 3.134) 3.528 6.317 ( -4.368 0.000 -7.908) 9.034 6.515 ( 2.238 0.000 4.594) 5.110 6.676 ( 1.556 0.000 -1.687) 2.295 6.825 ( 1.674 0.000 1.601) 2.316 7.066 ( -1.986 0.000 3.446) 3.977 7.175 ( 1.275 0.000 -3.502) 3.727 7.577 ( 0.078 0.000 -2.428) 2.429 7.693 ( -0.737 0.000 2.252) 2.370 7.725 ( 0.635 0.000 -0.667) 0.921 7.862 ( 0.582 0.000 -0.137) 0.598 7.863 ( -2.586 0.000 4.243) 4.969 7.951 ( 3.701 0.000 -1.443) 3.972 8.143 ( -3.624 0.000 1.596) 3.960 8.254 ( 1.697 0.000 -1.273) 2.121 13.149 ( 4.525 0.000 -1.400) 4.736 13.242 ( 9.620 0.000 7.100) 11.956 13.543 ( -1.948 0.000 -0.184) 1.957 13.901 ( -3.693 0.000 13.459) 13.956 15.765 ( 4.403 0.000 -0.444) 4.425 15.853 ( 2.809 0.000 4.108) 4.977 16.518 ( -5.307 0.000 5.495) 7.639 16.637 ( 5.243 0.000 10.843) 12.044 16.859 ( -4.907 0.000 4.753) 6.832 17.179 ( 3.604 0.000 -4.193) 5.529 18.615 ( 0.925 0.000 -6.430) 6.496 18.661 ( 3.894 0.000 14.633) 15.142 19.954 ( -1.688 0.000 -1.187) 2.064 20.070 ( 0.316 0.000 -2.507) 2.527 20.249 ( -3.806 0.000 -1.214) 3.995 20.355 ( 0.077 0.000 0.249) 0.261 21.331 ( -0.593 0.000 0.916) 1.091 21.391 ( 1.576 0.000 0.518) 1.659 22.109 ( -3.477 0.000 -3.442) 4.892 22.166 ( -3.978 0.000 5.330) 6.651 22.905 ( 2.011 0.000 -3.682) 4.196 23.175 ( 4.515 0.000 0.069) 4.516 23.189 ( -2.488 0.000 1.719) 3.024 23.282 ( -0.881 0.000 -3.858) 3.957 45.587 ( -0.889 0.000 1.473) 1.721 45.686 ( 1.637 0.000 -1.710) 2.368 46.558 ( 1.451 0.000 1.120) 1.833 46.676 ( 1.851 0.000 0.392) 1.892 46.755 ( -3.173 0.000 -0.581) 3.226 46.875 ( 0.202 0.000 -0.804) 0.829 47.594 ( -3.464 0.000 1.976) 3.988 47.657 ( -0.539 0.000 -1.360) 1.463 95.590 ( -1.224 0.000 -2.295) 2.601 95.713 ( -1.301 0.000 -0.743) 1.499 95.963 ( -4.572 0.000 -12.798) 13.590 95.967 ( -2.219 0.000 1.011) 2.438 96.061 ( -0.841 0.000 2.228) 2.381 96.130 ( 0.489 0.000 4.047) 4.077 96.205 ( -1.880 0.000 -1.843) 2.633 96.678 ( 4.512 0.000 2.947) 5.389 98.485 ( -2.318 0.000 2.441) 3.366 98.556 ( 1.286 0.000 -2.382) 2.707 99.172 ( -1.843 0.000 2.792) 3.345 99.739 ( 13.525 0.000 14.936) 20.150 104.718 ( 0.775 0.000 -0.281) 0.825 104.722 ( 0.340 0.000 0.233) 0.412 104.813 ( -2.110 0.000 0.648) 2.207 105.001 ( 1.578 0.000 -2.905) 3.306 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -8.215 0.000 12.604) 15.045 0.536 ( -1.671 0.000 18.146) 18.222 1.182 ( -7.866 0.000 11.678) 14.080 1.346 ( -13.763 0.000 24.874) 28.428 1.421 ( -3.335 0.000 13.020) 13.441 1.536 ( -2.559 0.000 -0.937) 2.725 1.873 ( -6.443 0.000 7.164) 9.636 2.052 ( 8.462 0.000 -6.138) 10.454 2.145 ( 5.209 0.000 -6.639) 8.438 2.274 ( 5.705 0.000 -2.312) 6.156 2.487 ( -5.134 0.000 -3.220) 6.060 2.669 ( -0.676 0.000 -2.522) 2.611 2.714 ( -2.282 0.000 -6.472) 6.862 2.813 ( -1.867 0.000 4.144) 4.545 2.832 ( 1.874 0.000 -5.881) 6.172 2.891 ( 1.214 0.000 -2.358) 2.653 2.916 ( 0.466 0.000 -1.101) 1.196 2.998 ( -0.891 0.000 -2.804) 2.943 3.147 ( -2.424 0.000 6.262) 6.714 3.202 ( 4.736 0.000 -2.837) 5.521 3.309 ( 3.091 0.000 -2.377) 3.899 3.463 ( 2.801 0.000 -1.235) 3.061 3.585 ( -1.083 0.000 -0.852) 1.378 3.639 ( 3.550 0.000 0.312) 3.563 3.705 ( -0.950 0.000 2.357) 2.541 3.755 ( -1.564 0.000 -2.563) 3.002 3.832 ( 2.292 0.000 -1.142) 2.561 3.935 ( -2.828 0.000 0.762) 2.929 3.982 ( 5.921 0.000 3.621) 6.941 4.027 ( -1.494 0.000 -0.964) 1.778 4.241 ( 1.911 0.000 -3.785) 4.240 4.278 ( -0.628 0.000 -0.089) 0.635 4.389 ( 0.341 0.000 1.479) 1.518 4.403 ( -6.591 0.000 5.194) 8.392 4.697 ( 3.872 0.000 -6.418) 7.495 4.832 ( -5.868 0.000 -10.964) 12.435 5.579 ( -4.507 0.000 -0.516) 4.536 5.690 ( 1.170 0.000 -0.688) 1.357 5.802 ( -0.491 0.000 0.205) 0.532 5.816 ( -0.084 0.000 0.418) 0.427 5.883 ( 1.161 0.000 2.099) 2.398 5.910 ( 1.179 0.000 -3.485) 3.679 6.071 ( -1.176 0.000 0.289) 1.211 6.123 ( -0.751 0.000 0.130) 0.762 6.171 ( -4.576 0.000 1.433) 4.795 6.303 ( 14.390 0.000 9.461) 17.222 6.308 ( -1.681 0.000 2.413) 2.941 6.590 ( -0.075 0.000 3.664) 3.665 6.702 ( 2.427 0.000 0.308) 2.446 6.855 ( -0.215 0.000 1.091) 1.112 7.083 ( -0.549 0.000 0.954) 1.100 7.142 ( 1.610 0.000 -4.359) 4.647 7.553 ( 0.964 0.000 -1.690) 1.945 7.698 ( -1.672 0.000 0.979) 1.938 7.724 ( 0.365 0.000 -0.739) 0.824 7.844 ( -0.160 0.000 -3.003) 3.007 7.877 ( -2.758 0.000 3.302) 4.302 7.950 ( 1.942 0.000 -4.443) 4.849 8.131 ( -2.318 0.000 3.206) 3.956 8.272 ( 1.897 0.000 -0.438) 1.947 13.174 ( 2.821 0.000 -2.466) 3.747 13.424 ( 2.989 0.000 -2.156) 3.685 13.723 ( 17.250 0.000 8.044) 19.033 13.984 ( -8.884 0.000 10.694) 13.903 15.838 ( 5.330 0.000 0.541) 5.357 15.923 ( -0.472 0.000 3.441) 3.473 16.489 ( -8.022 0.000 4.080) 9.000 16.759 ( -1.503 0.000 -6.189) 6.369 16.848 ( -3.863 0.000 4.782) 6.147 17.173 ( 3.636 0.000 -4.307) 5.637 18.558 ( 3.173 0.000 -5.382) 6.248 18.693 ( -13.607 0.000 -7.288) 15.436 19.932 ( 0.213 0.000 0.181) 0.280 20.039 ( 0.656 0.000 -2.793) 2.869 20.201 ( -1.555 0.000 3.174) 3.534 20.361 ( 0.282 0.000 0.163) 0.326 21.343 ( -0.293 0.000 1.864) 1.887 21.420 ( 1.298 0.000 0.478) 1.383 22.190 ( -4.607 0.000 6.827) 8.237 22.223 ( 14.756 0.000 7.727) 16.657 22.898 ( 3.366 0.000 -2.805) 4.381 23.114 ( -5.940 0.000 -6.080) 8.500 23.183 ( -1.621 0.000 1.990) 2.566 23.252 ( 0.058 0.000 0.527) 0.530 45.595 ( -1.008 0.000 1.589) 1.882 45.686 ( 1.360 0.000 -1.288) 1.873 46.611 ( 1.661 0.000 2.354) 2.881 46.705 ( 0.883 0.000 0.325) 0.941 46.713 ( -1.742 0.000 0.472) 1.805 46.902 ( 3.407 0.000 -0.062) 3.407 47.573 ( -3.075 0.000 1.981) 3.657 47.638 ( 0.407 0.000 -1.017) 1.095 95.567 ( 1.164 0.000 -0.321) 1.207 95.680 ( -1.004 0.000 -1.260) 1.611 95.793 ( -3.287 0.000 0.570) 3.336 95.948 ( -1.611 0.000 0.443) 1.671 96.081 ( -1.324 0.000 2.714) 3.020 96.172 ( -0.108 0.000 -0.624) 0.633 96.204 ( -0.119 0.000 5.595) 5.596 96.767 ( 5.647 0.000 -2.372) 6.125 98.478 ( -2.598 0.000 1.968) 3.259 98.553 ( 2.011 0.000 -1.614) 2.579 99.208 ( -1.045 0.000 5.260) 5.363 100.058 ( 10.119 0.000 -4.825) 11.211 104.730 ( 1.042 0.000 0.036) 1.042 104.731 ( 0.251 0.000 0.407) 0.478 104.791 ( -1.817 0.000 0.560) 1.901 104.976 ( 1.448 0.000 -3.301) 3.605 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.765 13.331 11.971) 17.934 1.039 ( 7.372 7.748 19.517) 22.255 1.238 ( -4.957 1.824 8.328) 9.862 1.408 ( -2.880 -3.207 1.484) 4.559 1.522 ( 7.414 -6.770 8.360) 13.065 1.725 ( -3.912 3.367 27.635) 28.112 1.813 ( -4.278 -6.596 8.727) 11.746 2.035 ( 1.537 0.733 -7.544) 7.734 2.124 ( 0.361 3.533 -7.149) 7.983 2.251 ( -6.033 -0.640 -8.237) 10.230 2.410 ( 3.728 1.503 -1.055) 4.155 2.597 ( 2.993 -3.805 -3.233) 5.821 2.629 ( -0.817 3.450 -2.438) 4.303 2.757 ( 0.950 -1.470 -4.763) 5.074 2.810 ( -2.411 -1.551 -1.318) 3.155 2.848 ( -0.627 -0.707 -3.817) 3.932 2.924 ( -0.071 1.654 3.345) 3.732 2.991 ( -1.302 2.378 1.115) 2.931 3.160 ( -0.648 -2.255 2.308) 3.291 3.214 ( 2.181 -1.672 -1.496) 3.129 3.347 ( 1.304 3.651 -2.267) 4.491 3.515 ( -1.189 0.120 0.263) 1.224 3.557 ( 0.828 2.007 -1.340) 2.551 3.621 ( 0.800 -1.267 -5.254) 5.464 3.692 ( -3.817 0.474 2.262) 4.462 3.744 ( -0.793 1.862 0.809) 2.179 3.840 ( 0.971 -0.341 -1.298) 1.656 3.901 ( -2.617 -1.384 1.382) 3.267 3.983 ( 1.249 -1.461 -3.605) 4.085 4.043 ( 1.471 -4.608 0.768) 4.898 4.187 ( 0.529 0.876 -3.709) 3.847 4.275 ( -0.534 2.034 -1.999) 2.901 4.399 ( -1.037 1.176 2.860) 3.261 4.439 ( -2.449 2.937 -0.828) 3.912 4.593 ( 0.495 -4.129 -4.680) 6.260 4.662 ( 0.233 -0.856 -5.796) 5.864 5.545 ( -1.750 1.829 0.794) 2.653 5.720 ( 1.172 -0.336 1.281) 1.768 5.768 ( -0.604 -0.885 -2.064) 2.326 5.829 ( -0.431 0.621 0.763) 1.074 5.878 ( 0.808 -0.939 -0.677) 1.412 5.906 ( -0.669 -0.850 1.419) 1.784 6.018 ( -1.594 -1.212 -2.778) 3.425 6.091 ( -0.817 -0.381 0.619) 1.093 6.205 ( 1.166 0.183 3.831) 4.009 6.333 ( -0.112 0.665 1.877) 1.994 6.554 ( 4.757 -0.569 3.013) 5.660 6.612 ( 0.139 -0.447 2.601) 2.642 6.746 ( 0.140 0.550 1.664) 1.758 6.841 ( -2.775 -1.145 1.083) 3.192 7.053 ( 0.384 -0.986 -1.376) 1.735 7.103 ( 2.231 -0.438 -4.812) 5.322 7.575 ( 1.544 1.211 -0.485) 2.021 7.653 ( -2.241 -1.132 -0.909) 2.670 7.720 ( -0.702 0.412 0.160) 0.829 7.788 ( -0.736 -0.181 -2.023) 2.160 7.862 ( -2.559 -0.385 1.596) 3.040 7.909 ( -0.241 -0.683 -0.834) 1.105 8.165 ( -0.856 0.947 2.626) 2.920 8.273 ( 1.239 -1.731 -0.318) 2.152 13.216 ( 2.112 4.067 -0.304) 4.593 13.411 ( -0.167 1.529 -3.293) 3.635 13.860 ( -5.037 -7.324 6.456) 10.986 13.942 ( 3.441 -6.832 2.624) 8.087 15.933 ( 0.995 2.888 4.446) 5.394 16.034 ( 0.484 6.458 0.789) 6.524 16.372 ( -10.362 -2.299 2.140) 10.828 16.438 ( -10.112 -9.197 2.426) 13.882 16.893 ( -3.373 3.829 4.150) 6.577 17.167 ( 2.422 -0.987 -3.630) 4.474 18.356 ( -9.695 -1.182 1.493) 9.880 18.538 ( 5.830 -3.007 -4.276) 7.830 19.947 ( 0.389 0.930 0.218) 1.032 20.015 ( 1.267 -0.236 -1.999) 2.378 20.248 ( 0.149 0.392 2.382) 2.419 20.352 ( 0.235 -1.431 -0.249) 1.471 21.373 ( -0.270 0.369 2.034) 2.085 21.428 ( 0.283 -1.044 0.494) 1.189 22.220 ( -5.269 1.304 6.809) 8.708 22.467 ( 11.308 -6.154 1.357) 12.946 22.913 ( -4.070 -0.855 -0.432) 4.181 22.940 ( 3.382 0.792 -1.758) 3.892 23.183 ( -1.073 -1.383 1.970) 2.636 23.229 ( -0.549 -2.201 0.222) 2.279 45.622 ( -1.025 1.880 0.635) 2.233 45.686 ( 0.999 -0.406 -0.885) 1.395 46.661 ( -0.140 1.638 1.878) 2.496 46.705 ( -0.015 0.251 0.585) 0.637 46.762 ( 0.557 1.552 1.087) 1.975 46.896 ( 1.169 -2.730 -1.993) 3.576 47.565 ( -1.452 0.559 1.337) 2.052 47.633 ( 1.665 -1.051 -0.586) 2.055 95.616 ( 3.305 0.630 0.319) 3.379 95.651 ( 0.008 0.069 -1.248) 1.250 95.826 ( 0.677 0.802 2.305) 2.533 95.920 ( -0.983 -1.262 0.171) 1.609 96.120 ( -1.509 2.696 2.573) 4.021 96.192 ( 0.639 1.948 0.471) 2.104 96.268 ( -0.254 -1.573 5.588) 5.810 96.644 ( 2.843 -11.209 -2.829) 11.905 98.479 ( -2.194 1.442 1.681) 3.117 98.572 ( 2.039 -0.177 -0.617) 2.138 99.344 ( -0.891 5.728 5.128) 7.740 99.834 ( -5.535 -8.903 -6.053) 12.105 104.740 ( -0.066 0.158 0.445) 0.477 104.752 ( -0.039 0.051 0.044) 0.078 104.814 ( -0.206 3.559 -1.118) 3.736 104.940 ( 1.239 -0.604 -4.256) 4.474 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 4.213 8.657 11.182) 14.756 1.224 ( -2.301 2.458 0.033) 3.367 1.370 ( -4.698 1.220 16.817) 17.503 1.408 ( -0.648 0.459 7.214) 7.257 1.724 ( 3.828 -9.982 -0.630) 10.709 1.797 ( -7.848 1.353 -15.556) 17.476 1.836 ( -0.544 -5.292 4.644) 7.062 1.950 ( -7.005 -1.448 -10.078) 12.358 2.121 ( 2.384 6.107 14.545) 15.954 2.194 ( 8.265 5.717 12.399) 15.960 2.487 ( 7.370 0.412 -1.851) 7.610 2.592 ( 1.761 -0.578 -2.189) 2.868 2.659 ( 4.172 0.747 -0.053) 4.239 2.674 ( 0.404 0.252 -5.567) 5.588 2.761 ( -1.612 -1.506 -1.528) 2.684 2.813 ( 0.190 -0.080 -1.157) 1.175 2.953 ( -1.165 2.136 2.209) 3.286 2.995 ( -1.096 1.335 1.389) 2.216 3.158 ( -1.740 -2.438 -0.859) 3.116 3.186 ( -1.890 -1.438 -2.130) 3.190 3.337 ( -1.431 3.592 1.014) 3.997 3.447 ( -4.414 -0.578 -3.681) 5.777 3.499 ( -2.672 1.474 -2.139) 3.726 3.594 ( 3.497 2.425 -1.422) 4.487 3.680 ( -2.537 0.427 2.081) 3.309 3.765 ( -0.237 0.912 3.180) 3.317 3.839 ( 0.468 -0.679 0.146) 0.837 3.902 ( -0.326 -2.803 0.471) 2.861 3.971 ( 0.771 -1.824 -0.494) 2.041 4.059 ( -0.586 -6.351 0.602) 6.406 4.145 ( 1.600 0.749 -4.101) 4.465 4.240 ( 0.523 1.971 -3.014) 3.638 4.381 ( -2.116 4.290 0.454) 4.805 4.432 ( -1.364 -0.717 1.000) 1.837 4.566 ( 3.798 -4.613 -2.840) 6.616 4.637 ( 3.821 -1.431 -2.871) 4.990 5.557 ( -0.469 1.920 3.057) 3.640 5.722 ( 0.730 -0.652 -3.708) 3.835 5.767 ( 0.974 0.191 2.575) 2.760 5.833 ( -0.743 0.872 1.019) 1.533 5.873 ( 0.709 -1.099 -1.921) 2.324 5.931 ( 1.298 0.012 0.700) 1.475 5.973 ( -1.449 -2.302 0.525) 2.770 6.083 ( -0.511 -0.828 -0.355) 1.036 6.260 ( -1.076 -0.153 3.069) 3.255 6.340 ( -0.423 1.244 0.312) 1.351 6.569 ( -4.783 0.814 0.473) 4.875 6.640 ( -0.017 -0.625 0.468) 0.781 6.790 ( 0.692 -1.023 2.804) 3.064 6.805 ( -3.284 -0.955 0.976) 3.556 7.031 ( 0.536 -0.197 -2.687) 2.747 7.082 ( 3.385 -0.279 -3.651) 4.987 7.588 ( -0.878 0.050 -0.746) 1.153 7.614 ( 0.600 0.570 -0.330) 0.891 7.721 ( -0.564 0.208 1.133) 1.283 7.757 ( -0.402 0.193 -1.334) 1.407 7.836 ( -3.410 0.205 1.188) 3.617 7.894 ( -0.934 -0.469 0.306) 1.089 8.180 ( -1.593 0.664 1.798) 2.492 8.282 ( 1.023 -1.709 -0.847) 2.164 13.225 ( -2.402 3.510 0.983) 4.365 13.350 ( -0.580 2.587 -3.627) 4.493 13.761 ( -11.019 -2.655 3.070) 11.743 14.105 ( 8.497 -9.148 3.182) 12.884 15.893 ( -8.997 5.669 1.102) 10.691 16.130 ( 7.513 3.670 2.452) 8.713 16.236 ( -11.324 -2.702 3.477) 12.150 16.448 ( 0.868 -4.774 6.794) 8.348 16.900 ( -3.125 3.851 3.905) 6.312 17.154 ( 2.575 -1.529 -3.354) 4.496 18.296 ( -2.594 2.457 2.160) 4.175 18.599 ( 8.801 -4.255 -2.967) 10.216 19.956 ( 0.440 1.176 0.146) 1.264 20.007 ( 1.473 0.193 -1.946) 2.449 20.277 ( -0.147 0.075 1.777) 1.785 20.349 ( 0.344 -1.305 -0.825) 1.582 21.390 ( -1.008 0.140 1.536) 1.842 21.428 ( -0.958 -0.732 0.098) 1.209 22.210 ( -7.106 2.595 4.692) 8.902 22.537 ( -0.096 -6.429 -2.258) 6.815 22.876 ( 1.169 2.419 -1.275) 2.973 22.985 ( 4.435 0.364 -1.024) 4.567 23.199 ( -0.731 -1.959 1.913) 2.834 23.222 ( -0.505 -1.940 -0.042) 2.005 45.615 ( -1.369 1.471 0.925) 2.213 45.687 ( 0.706 -0.545 -0.878) 1.252 46.650 ( -3.053 0.486 1.427) 3.405 46.736 ( 1.678 2.396 0.355) 2.947 46.773 ( -2.035 -1.717 1.119) 2.888 46.871 ( 0.802 -0.697 -2.671) 2.875 47.571 ( -0.041 0.855 1.044) 1.350 47.662 ( 3.166 -1.344 -0.515) 3.478 95.626 ( -0.535 0.710 -1.493) 1.737 95.665 ( 3.226 -0.223 -0.839) 3.341 95.875 ( 1.492 0.115 2.065) 2.550 95.912 ( 0.121 -0.804 -0.404) 0.908 96.120 ( -2.153 3.681 1.338) 4.469 96.207 ( 0.026 2.342 0.530) 2.401 96.348 ( 0.213 -2.412 5.698) 6.192 96.611 ( 1.151 -7.866 -5.804) 9.844 98.472 ( -1.828 2.127 1.602) 3.229 98.601 ( 2.984 -0.578 -0.711) 3.122 99.413 ( -2.319 2.195 7.671) 8.309 99.648 ( -6.988 -3.902 -5.506) 9.715 104.745 ( -0.273 -0.009 0.415) 0.497 104.750 ( -0.361 -0.055 0.016) 0.365 104.810 ( 0.209 2.004 0.366) 2.048 104.895 ( 0.730 -0.465 -3.743) 3.842 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.138 3.869 -5.788) 6.963 1.189 ( 3.050 4.577 7.388) 9.210 1.394 ( -6.933 -0.946 -3.722) 7.926 1.440 ( -6.602 2.284 -3.818) 7.961 1.564 ( -4.066 -1.109 8.726) 9.690 1.653 ( -3.469 -0.055 -4.992) 6.079 1.736 ( -1.591 -4.175 -5.104) 6.783 1.924 ( -2.837 -4.282 5.243) 7.340 2.332 ( 5.814 4.191 9.387) 11.811 2.472 ( 6.481 -0.657 -0.872) 6.573 2.549 ( 5.635 1.949 -5.219) 7.924 2.583 ( 3.649 -0.657 -2.513) 4.479 2.662 ( 2.976 1.721 0.559) 3.483 2.724 ( 0.198 0.139 2.372) 2.385 2.769 ( 4.964 -0.713 -0.282) 5.023 2.818 ( 2.516 -0.766 3.146) 4.100 2.950 ( -3.093 0.669 -0.969) 3.310 2.993 ( 0.799 3.266 2.131) 3.981 3.079 ( -5.011 0.347 -1.622) 5.278 3.142 ( -0.734 -4.264 -1.070) 4.457 3.305 ( -5.409 3.825 1.420) 6.775 3.364 ( -0.780 2.189 -1.950) 3.033 3.463 ( -1.795 0.097 1.154) 2.136 3.627 ( 2.256 1.029 -0.298) 2.498 3.680 ( -2.128 1.216 3.154) 3.994 3.804 ( 0.620 -0.307 0.602) 0.917 3.862 ( 0.288 -1.031 2.107) 2.363 3.891 ( 0.324 -0.969 -1.700) 1.983 3.989 ( 0.756 -2.118 1.303) 2.599 4.047 ( -1.787 -4.867 0.339) 5.196 4.125 ( 1.293 0.001 -1.644) 2.091 4.204 ( 1.671 1.385 -4.402) 4.908 4.358 ( -1.933 4.365 0.254) 4.781 4.442 ( -0.358 -0.634 3.753) 3.823 4.611 ( 4.305 -4.664 -0.848) 6.404 4.672 ( 4.674 -2.346 -1.798) 5.530 5.606 ( -0.348 1.443 4.148) 4.406 5.698 ( 2.551 0.490 -2.814) 3.830 5.803 ( -0.177 1.377 -0.496) 1.475 5.826 ( 0.717 -0.075 0.129) 0.733 5.874 ( 0.743 -0.256 0.683) 1.041 5.942 ( 2.118 -0.008 -1.914) 2.854 6.003 ( -0.625 -3.065 4.753) 5.690 6.069 ( -0.345 -2.019 -0.514) 2.112 6.246 ( -3.594 0.462 0.044) 3.624 6.328 ( -1.949 -1.685 -0.969) 2.753 6.471 ( -4.965 3.493 -1.680) 6.299 6.636 ( -1.787 -1.403 0.957) 2.466 6.743 ( -3.613 0.736 -0.702) 3.753 6.853 ( 0.139 -1.677 3.277) 3.684 6.991 ( -0.462 0.642 -2.869) 2.976 7.101 ( 3.504 -1.774 -1.190) 4.104 7.554 ( -0.880 1.545 -0.764) 1.935 7.639 ( 0.959 0.010 0.980) 1.371 7.726 ( -0.738 0.257 0.206) 0.808 7.742 ( 0.078 0.491 0.131) 0.514 7.803 ( -2.941 0.388 1.159) 3.185 7.893 ( -1.507 -1.015 1.939) 2.657 8.167 ( -2.904 0.864 1.319) 3.304 8.279 ( 0.861 -1.712 -1.461) 2.409 13.174 ( -4.401 -0.760 0.091) 4.467 13.284 ( -4.467 0.943 -1.477) 4.799 13.676 ( -4.471 4.628 1.705) 6.657 14.258 ( 6.749 -8.403 1.667) 10.906 15.780 ( -7.399 5.343 1.072) 9.189 16.094 ( -6.063 -1.649 -1.452) 6.448 16.328 ( 3.559 1.874 9.050) 9.903 16.583 ( 3.347 -3.382 6.003) 7.660 16.914 ( -2.075 3.442 3.593) 5.391 17.151 ( 3.284 -2.232 -3.212) 5.107 18.319 ( 0.773 3.953 2.324) 4.650 18.703 ( 8.893 -5.363 -1.569) 10.503 19.964 ( 0.379 1.031 0.196) 1.115 20.002 ( 1.347 0.144 -1.867) 2.307 20.296 ( -0.356 0.155 1.457) 1.508 20.342 ( 0.763 -0.886 -1.224) 1.692 21.387 ( -1.536 -0.081 0.802) 1.735 21.406 ( -1.583 -0.364 -0.284) 1.649 22.146 ( -7.556 3.223 2.216) 8.509 22.454 ( -5.136 -4.700 -2.357) 7.350 22.890 ( 3.543 2.671 -2.374) 5.032 23.034 ( 3.335 -0.423 -0.522) 3.402 23.206 ( -0.842 -2.014 0.681) 2.287 23.219 ( -0.599 -1.498 0.768) 1.786 45.607 ( -1.522 1.411 0.944) 2.280 45.683 ( 0.469 -0.506 -0.875) 1.114 46.621 ( -2.660 -1.616 0.530) 3.157 46.714 ( -4.271 -2.313 -1.259) 5.018 46.769 ( 1.525 2.550 0.440) 3.003 46.858 ( 0.131 1.922 -0.677) 2.042 47.592 ( 0.983 0.983 0.778) 1.593 47.707 ( 3.895 -1.748 -0.838) 4.350 95.595 ( -0.565 0.990 -1.541) 1.917 95.689 ( 2.338 -1.522 -1.417) 3.129 95.901 ( 0.531 0.082 -0.502) 0.735 95.939 ( 2.102 -0.034 1.803) 2.769 96.097 ( -2.412 3.683 0.315) 4.414 96.206 ( -0.653 3.039 0.223) 3.116 96.430 ( 0.496 -3.610 4.711) 5.956 96.528 ( -0.233 -5.367 -6.251) 8.243 98.469 ( -1.474 2.919 1.518) 3.605 98.637 ( 3.640 -1.063 -1.349) 4.024 99.478 ( -4.659 -0.845 7.161) 8.585 99.489 ( -4.967 -0.821 -2.928) 5.824 104.742 ( -0.491 0.043 -0.029) 0.494 104.744 ( -0.351 0.038 -0.097) 0.366 104.825 ( 0.123 0.930 1.252) 1.565 104.865 ( 0.910 -0.164 -2.087) 2.282 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.734 5.307 -4.555) 7.509 1.110 ( -0.247 3.690 -9.659) 10.343 1.360 ( 1.834 1.167 3.003) 3.707 1.430 ( -3.581 -1.236 5.056) 6.317 1.482 ( -4.726 -1.306 -1.479) 5.121 1.624 ( -3.932 -1.952 3.073) 5.358 1.713 ( -0.106 -0.163 0.108) 0.223 1.927 ( -3.425 -4.597 3.436) 6.683 2.473 ( 3.029 -0.552 -5.037) 5.904 2.484 ( 1.328 -2.547 -2.352) 3.713 2.545 ( 4.384 2.547 -0.616) 5.107 2.611 ( 4.667 2.785 -3.181) 6.297 2.682 ( 1.280 -0.134 0.859) 1.547 2.746 ( 0.004 1.917 -1.465) 2.413 2.820 ( 0.069 1.009 4.752) 4.859 2.896 ( 2.723 -1.735 -3.177) 4.530 2.964 ( 4.270 -0.391 1.378) 4.503 3.002 ( -3.477 1.785 0.991) 4.033 3.054 ( 1.555 1.739 2.666) 3.543 3.114 ( 0.059 -4.327 -2.970) 5.249 3.241 ( -5.482 4.302 1.915) 7.226 3.342 ( 0.199 1.829 -1.844) 2.605 3.465 ( -2.137 0.631 3.037) 3.767 3.650 ( 0.586 2.126 0.160) 2.212 3.711 ( -0.382 0.799 4.018) 4.114 3.794 ( -0.028 -1.502 -1.494) 2.119 3.858 ( 0.055 -0.401 -2.933) 2.961 3.894 ( 0.352 -0.664 0.364) 0.835 4.017 ( -1.667 -2.409 0.478) 2.968 4.030 ( 0.408 -2.864 1.622) 3.317 4.135 ( -0.637 1.576 2.176) 2.761 4.177 ( 3.001 1.197 -3.650) 4.875 4.337 ( -1.583 3.551 0.575) 3.930 4.516 ( -0.711 -1.403 6.505) 6.692 4.641 ( 2.163 -4.023 -1.999) 4.986 4.715 ( 3.957 -3.451 -1.736) 5.530 5.650 ( -1.104 1.000 3.325) 3.644 5.718 ( 3.313 -0.161 -0.982) 3.459 5.773 ( 1.040 2.398 -3.024) 3.997 5.857 ( 0.763 0.155 1.449) 1.645 5.887 ( -0.054 0.596 0.056) 0.601 5.949 ( 2.335 -0.172 -1.684) 2.884 6.055 ( -0.981 -2.515 0.041) 2.700 6.075 ( 0.687 -3.867 4.423) 5.915 6.171 ( -4.149 0.245 -1.580) 4.446 6.222 ( -5.615 -1.907 -3.801) 7.043 6.425 ( -0.556 4.031 0.048) 4.069 6.608 ( -2.126 -2.261 -0.661) 3.173 6.695 ( -1.600 2.849 -0.234) 3.276 6.870 ( -2.042 -2.334 -0.097) 3.103 6.957 ( -0.866 1.486 0.947) 1.963 7.141 ( 2.846 -3.930 -0.257) 4.859 7.545 ( 0.156 3.021 0.061) 3.026 7.666 ( 0.018 -0.392 1.727) 1.771 7.711 ( -0.951 0.826 0.172) 1.271 7.754 ( 0.045 0.223 1.113) 1.136 7.786 ( -1.601 0.503 1.116) 2.016 7.899 ( -2.030 -1.826 2.420) 3.648 8.138 ( -3.399 1.474 1.614) 4.041 8.271 ( 1.056 -1.712 -1.585) 2.561 13.119 ( -3.775 -2.811 0.784) 4.772 13.175 ( -6.138 -2.667 -1.608) 6.883 13.658 ( -0.389 10.644 -0.208) 10.653 14.328 ( 3.170 -7.524 -2.992) 8.695 15.707 ( -4.994 4.991 1.504) 7.219 15.991 ( -5.163 -1.092 -1.484) 5.482 16.479 ( 0.683 0.621 6.783) 6.845 16.681 ( 1.149 -3.113 2.498) 4.153 16.937 ( -1.439 2.962 2.932) 4.409 17.161 ( 3.953 -2.767 -3.096) 5.733 18.369 ( 1.057 4.771 2.310) 5.405 18.799 ( 5.936 -6.028 -1.322) 8.563 19.976 ( 0.382 0.611 0.720) 1.019 19.997 ( 1.420 0.052 -1.517) 2.079 20.309 ( -0.482 0.328 1.253) 1.382 20.342 ( 1.383 -0.477 -1.015) 1.781 21.373 ( -1.207 -0.128 0.414) 1.282 21.379 ( -1.301 -0.128 -0.384) 1.363 22.071 ( -5.321 3.286 1.823) 6.514 22.348 ( -4.524 -3.634 -1.784) 6.071 22.908 ( 3.424 2.314 -2.357) 4.758 23.065 ( 1.824 -1.268 -0.609) 2.304 23.204 ( -0.750 -1.496 0.869) 1.886 23.219 ( -0.665 -1.015 0.839) 1.476 45.598 ( -1.453 1.563 0.999) 2.356 45.677 ( 0.448 -0.327 -0.846) 1.012 46.585 ( -1.876 -2.954 -0.980) 3.634 46.631 ( -3.439 -3.530 -1.472) 5.143 46.805 ( 1.531 3.826 1.434) 4.364 46.850 ( -0.769 3.200 0.477) 3.325 47.617 ( 1.113 0.952 0.524) 1.556 47.746 ( 3.485 -2.043 -1.565) 4.332 95.573 ( 0.231 1.109 -0.834) 1.407 95.702 ( 1.949 -2.823 -0.970) 3.565 95.907 ( 1.006 1.888 -0.028) 2.139 95.995 ( 2.240 0.456 1.181) 2.573 96.064 ( -2.545 1.894 0.711) 3.251 96.198 ( -0.362 3.461 -0.226) 3.487 96.433 ( 0.218 -4.489 -5.635) 7.208 96.493 ( -0.578 -3.927 2.851) 4.887 98.470 ( -1.266 3.429 1.402) 3.915 98.666 ( 3.543 -1.500 -2.316) 4.490 99.379 ( -2.607 0.809 -3.149) 4.168 99.499 ( -7.288 -2.258 6.477) 10.008 104.730 ( -0.477 0.389 -0.428) 0.750 104.738 ( -0.163 0.137 -0.168) 0.271 104.845 ( -0.382 0.341 1.712) 1.787 104.863 ( 1.187 -0.137 -0.492) 1.292 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 5.223 3.380 -3.744) 7.261 1.179 ( 7.110 3.660 5.539) 9.728 1.363 ( -2.462 -0.186 0.930) 2.638 1.416 ( -7.163 -0.362 3.828) 8.130 1.497 ( 1.754 -0.681 1.947) 2.708 1.575 ( -5.472 2.963 2.647) 6.762 1.750 ( 4.679 -4.541 1.720) 6.744 1.939 ( -2.209 -5.636 3.772) 7.133 2.383 ( 2.527 -0.163 -11.911) 12.178 2.408 ( 0.625 -1.738 -8.026) 8.236 2.572 ( -1.353 3.035 -3.313) 4.693 2.643 ( 2.309 2.251 1.113) 3.411 2.737 ( 1.720 -0.108 0.905) 1.947 2.748 ( 1.187 0.395 2.669) 2.948 2.865 ( 0.217 0.695 2.339) 2.450 2.902 ( 0.982 1.067 -1.545) 2.119 2.973 ( 0.484 1.642 -0.627) 1.823 3.023 ( -0.563 -2.346 -2.009) 3.139 3.060 ( 0.699 -0.515 -2.186) 2.352 3.085 ( -0.097 -0.849 0.024) 0.855 3.206 ( -3.613 3.765 3.029) 6.034 3.312 ( 0.224 1.976 -1.252) 2.350 3.476 ( -1.867 0.548 2.845) 3.446 3.639 ( -0.877 2.459 -1.184) 2.867 3.759 ( 0.694 2.002 0.602) 2.202 3.787 ( 0.377 -2.047 1.006) 2.312 3.811 ( -1.834 -2.110 -2.295) 3.617 3.871 ( -0.464 1.230 -2.651) 2.959 4.010 ( -1.608 -3.139 1.656) 3.896 4.052 ( 0.805 -3.265 0.693) 3.433 4.158 ( -1.248 2.063 1.335) 2.756 4.201 ( 3.811 3.636 0.761) 5.322 4.327 ( -0.605 2.828 0.278) 2.906 4.567 ( -2.709 -4.470 3.528) 6.306 4.630 ( 0.034 -2.682 -1.330) 2.994 4.726 ( 2.052 -3.720 -2.996) 5.198 5.666 ( -2.237 0.991 2.345) 3.389 5.731 ( 0.245 -0.104 -1.186) 1.216 5.774 ( 3.535 -0.053 -2.289) 4.211 5.860 ( -0.441 0.094 -1.008) 1.104 5.906 ( 1.672 3.133 1.568) 3.882 5.937 ( -0.008 -0.256 -4.223) 4.231 6.032 ( -2.173 -2.590 0.028) 3.381 6.092 ( -2.117 0.423 -1.244) 2.492 6.117 ( 0.911 -2.056 0.531) 2.311 6.174 ( -0.738 -2.980 3.763) 4.857 6.419 ( -0.518 3.171 -0.471) 3.247 6.569 ( -0.995 -2.043 -1.184) 2.562 6.675 ( -0.564 3.177 -0.794) 3.323 6.808 ( -2.707 -0.628 -1.869) 3.349 6.990 ( -0.194 0.228 3.793) 3.805 7.172 ( 2.355 -5.103 -0.862) 5.686 7.554 ( 0.443 3.683 0.462) 3.738 7.685 ( -0.274 -1.226 1.260) 1.779 7.712 ( -1.476 0.914 2.474) 3.023 7.769 ( -0.672 0.015 0.216) 0.706 7.782 ( -0.877 1.101 1.925) 2.385 7.900 ( -1.958 -2.026 2.073) 3.498 8.122 ( -2.255 1.972 2.346) 3.805 8.269 ( 1.362 -1.721 -1.164) 2.484 13.046 ( -6.022 -1.350 -0.024) 6.172 13.117 ( 0.705 -5.029 -0.998) 5.176 13.639 ( -0.336 11.042 -1.764) 11.187 14.259 ( -0.907 -6.471 -8.947) 11.079 15.671 ( -3.010 4.768 1.762) 5.907 15.893 ( -4.064 0.184 -2.612) 4.834 16.532 ( -2.662 -0.532 3.254) 4.238 16.686 ( -1.941 -3.172 -0.818) 3.808 16.945 ( -2.227 2.759 1.946) 4.044 17.174 ( 3.609 -3.288 -3.321) 5.905 18.405 ( -0.650 5.025 2.296) 5.562 18.830 ( 2.751 -5.763 -3.338) 7.205 19.996 ( 0.261 0.318 1.371) 1.431 20.010 ( 2.180 -0.081 -0.290) 2.201 20.316 ( -0.759 0.490 1.049) 1.385 20.350 ( 1.188 -0.356 -0.641) 1.396 21.357 ( -0.895 0.143 -0.393) 0.988 21.365 ( -0.712 0.073 0.328) 0.787 22.059 ( -1.800 2.341 3.912) 4.902 22.280 ( -1.879 -3.038 -0.855) 3.673 22.927 ( 3.095 1.892 -1.873) 4.083 23.066 ( 0.390 -1.519 -1.785) 2.376 23.205 ( -1.225 -0.586 1.352) 1.916 23.234 ( 0.433 -0.946 1.541) 1.860 45.593 ( -1.220 1.779 1.144) 2.442 45.673 ( 0.641 -0.088 -0.820) 1.045 46.542 ( -0.888 -2.971 -1.590) 3.485 46.579 ( -1.500 -4.561 -0.884) 4.882 46.852 ( 0.039 3.493 2.139) 4.096 46.855 ( 0.897 4.383 1.466) 4.708 47.636 ( 0.429 0.773 0.377) 0.961 47.762 ( 2.229 -2.102 -2.300) 3.831 95.584 ( 1.413 1.145 0.765) 1.973 95.724 ( 1.915 -3.389 -0.010) 3.893 95.933 ( 1.119 3.463 1.397) 3.898 96.013 ( -0.040 3.041 -1.144) 3.249 96.065 ( -0.763 -2.346 2.851) 3.770 96.190 ( -0.236 3.418 -0.144) 3.429 96.374 ( 2.577 -3.923 -5.120) 6.946 96.500 ( -2.137 -3.978 0.768) 4.581 98.471 ( -1.223 3.410 1.411) 3.888 98.673 ( 2.629 -1.702 -3.225) 4.496 99.319 ( -0.451 1.203 -2.245) 2.586 99.446 ( -8.140 -1.948 2.595) 8.763 104.719 ( -0.213 0.686 -0.343) 0.796 104.734 ( 0.036 0.333 -0.277) 0.435 104.859 ( -1.039 0.099 1.796) 2.078 104.882 ( 1.435 -0.402 0.309) 1.522 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.007 2.111 2.537) 3.300 1.267 ( -4.568 1.429 -0.232) 4.792 1.307 ( -9.961 1.087 3.744) 10.696 1.416 ( -7.936 -1.269 4.682) 9.301 1.554 ( 10.887 4.712 8.824) 14.784 1.683 ( 7.340 -1.856 5.128) 9.144 1.882 ( 6.395 -6.832 4.321) 10.308 1.955 ( -3.711 -4.420 4.138) 7.102 2.245 ( 2.963 -0.361 -11.822) 12.193 2.309 ( 3.376 -1.959 -9.767) 10.518 2.427 ( -6.078 7.210 -6.880) 11.673 2.632 ( -6.710 -1.004 -7.330) 9.989 2.724 ( 0.712 1.884 -0.346) 2.043 2.804 ( 0.290 2.179 0.639) 2.289 2.857 ( -2.389 1.956 -0.669) 3.159 2.902 ( 1.640 0.095 -7.838) 8.008 2.937 ( 0.765 -0.762 4.502) 4.630 3.015 ( 1.789 -1.422 1.818) 2.920 3.065 ( -0.456 0.181 0.540) 0.729 3.076 ( 0.290 -0.337 0.934) 1.035 3.222 ( -1.166 3.333 4.140) 5.441 3.348 ( 2.520 2.343 2.359) 4.171 3.502 ( -0.018 -1.124 2.968) 3.174 3.600 ( -0.629 1.023 -2.526) 2.797 3.727 ( -2.303 -0.744 -4.071) 4.736 3.767 ( 0.547 1.501 -0.076) 1.600 3.806 ( 0.516 -1.063 -0.255) 1.208 3.846 ( -0.206 1.266 -0.045) 1.284 3.983 ( -3.113 -1.696 0.763) 3.626 4.086 ( 1.602 -2.732 -1.164) 3.375 4.134 ( -3.832 1.769 2.904) 5.123 4.281 ( 4.588 3.033 -0.304) 5.508 4.327 ( 0.474 2.032 -0.060) 2.087 4.555 ( -2.621 -4.958 1.220) 5.740 4.598 ( -0.592 -2.903 -2.150) 3.661 4.712 ( 1.238 -4.080 -1.654) 4.573 5.649 ( -3.648 0.925 1.876) 4.205 5.727 ( 1.357 -0.755 -0.887) 1.788 5.770 ( 0.210 -0.390 -2.010) 2.058 5.848 ( 1.140 -0.345 -1.443) 1.871 5.859 ( -1.177 0.348 -3.839) 4.031 5.966 ( 3.335 3.385 0.300) 4.761 6.000 ( -1.650 -2.548 0.724) 3.121 6.068 ( -0.786 0.596 0.004) 0.986 6.173 ( 1.269 -0.599 3.027) 3.336 6.220 ( 0.700 -2.330 3.322) 4.117 6.389 ( -1.535 1.975 -1.637) 2.989 6.530 ( -0.217 -2.845 -3.914) 4.843 6.668 ( 0.371 3.537 0.876) 3.663 6.763 ( -0.654 0.347 -0.800) 1.090 7.040 ( -0.153 -0.243 3.076) 3.090 7.187 ( 2.069 -4.866 -1.695) 5.553 7.576 ( 0.911 3.319 1.382) 3.709 7.694 ( -1.271 -1.137 0.905) 1.930 7.728 ( -1.274 -0.059 2.595) 2.891 7.744 ( -1.344 0.130 -0.046) 1.351 7.809 ( -0.856 1.372 2.929) 3.346 7.899 ( -1.379 -1.032 1.258) 2.133 8.142 ( -0.408 1.498 3.014) 3.391 8.274 ( 1.109 -1.651 -1.026) 2.238 12.988 ( -1.424 0.139 0.200) 1.444 13.130 ( 2.969 -4.036 -1.549) 5.245 13.607 ( -1.014 7.011 -0.658) 7.115 14.065 ( -3.584 -5.234 -12.749) 14.240 15.667 ( -1.168 4.633 2.182) 5.253 15.803 ( -2.200 1.583 -2.999) 4.042 16.513 ( -3.975 -1.160 1.840) 4.531 16.612 ( -4.732 -2.910 -1.995) 5.902 16.928 ( -3.367 2.721 1.796) 4.686 17.172 ( 2.876 -3.685 -3.726) 5.978 18.418 ( -2.531 4.704 3.162) 6.207 18.799 ( 1.780 -4.941 -5.279) 7.446 20.017 ( -0.331 0.364 1.412) 1.496 20.047 ( 2.215 -0.383 0.496) 2.302 20.316 ( -1.066 0.528 0.870) 1.474 20.355 ( 0.489 -0.397 -0.522) 0.818 21.343 ( -0.466 0.516 0.038) 0.696 21.360 ( -0.454 0.334 0.114) 0.575 22.108 ( -0.943 0.845 4.841) 5.004 22.263 ( 0.534 -2.775 -0.584) 2.886 22.950 ( 2.975 1.220 -1.166) 3.420 23.031 ( 0.135 -0.808 -3.275) 3.376 23.209 ( -1.537 0.090 2.089) 2.595 23.269 ( 0.810 -1.236 1.707) 2.258 45.593 ( -0.993 1.960 1.227) 2.517 45.674 ( 0.957 0.096 -0.828) 1.269 46.520 ( -0.272 -3.625 -0.572) 3.680 46.558 ( 0.853 -3.854 -1.250) 4.141 46.869 ( -1.103 3.714 2.143) 4.427 46.905 ( 1.578 3.888 1.519) 4.462 47.640 ( -0.677 0.485 0.492) 0.967 47.749 ( 0.743 -1.940 -2.602) 3.329 95.634 ( 1.971 1.016 2.416) 3.280 95.750 ( 0.970 -2.517 -0.050) 2.698 95.968 ( -0.164 4.382 1.691) 4.700 95.996 ( -0.750 0.816 0.667) 1.294 96.085 ( -0.147 -2.078 0.454) 2.133 96.190 ( -0.603 3.305 1.029) 3.513 96.364 ( 3.755 -5.468 -3.917) 7.703 96.460 ( -1.545 -2.600 -1.539) 3.393 98.474 ( -1.258 2.872 1.726) 3.579 98.654 ( 1.384 -1.512 -3.633) 4.171 99.301 ( 1.278 0.640 -1.166) 1.844 99.349 ( -6.263 -0.364 -0.193) 6.276 104.714 ( 0.007 0.742 -0.160) 0.759 104.731 ( 0.251 0.664 -0.341) 0.787 104.864 ( -1.534 0.194 1.523) 2.170 104.913 ( 1.888 -0.810 0.548) 2.126 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -14.702 0.747 4.528) 15.402 1.167 ( -12.398 6.901 3.780) 14.684 1.253 ( -4.122 -1.995 4.385) 6.340 1.375 ( -5.019 0.952 4.813) 7.018 1.784 ( 4.288 -8.290 0.862) 9.373 1.829 ( -3.229 -5.629 0.521) 6.510 1.944 ( 2.730 2.931 -0.318) 4.018 2.046 ( 3.703 0.021 7.230) 8.124 2.162 ( 4.936 0.844 -7.623) 9.121 2.238 ( -13.824 1.340 -11.724) 18.175 2.257 ( 3.225 -1.550 -7.400) 8.220 2.351 ( 3.000 4.647 1.858) 5.835 2.740 ( -0.215 0.773 -0.888) 1.197 2.789 ( 1.329 0.687 -3.649) 3.944 2.811 ( -1.470 2.429 0.080) 2.841 2.869 ( 0.840 1.463 0.785) 1.861 3.007 ( -0.091 -0.848 2.672) 2.805 3.064 ( -0.638 -0.924 0.999) 1.503 3.078 ( 1.662 -0.969 0.349) 1.955 3.106 ( 1.801 -0.546 1.188) 2.226 3.289 ( 2.491 4.212 3.797) 6.194 3.419 ( 3.672 1.269 0.653) 3.939 3.534 ( -0.206 -0.104 -0.963) 0.990 3.568 ( 2.003 -1.615 -1.335) 2.898 3.673 ( -0.556 0.121 0.709) 0.909 3.767 ( -0.255 1.507 -0.805) 1.727 3.782 ( -0.692 -1.213 -2.513) 2.875 3.854 ( 1.206 -0.397 -0.193) 1.285 3.974 ( -1.676 1.155 3.236) 3.823 4.040 ( -1.849 1.968 -1.880) 3.290 4.164 ( -1.939 -1.452 5.361) 5.883 4.303 ( 2.537 1.967 -3.528) 4.770 4.342 ( 0.728 1.361 1.036) 1.859 4.491 ( -2.415 -2.503 -3.676) 5.061 4.624 ( 2.056 -4.315 3.462) 5.902 4.713 ( 1.706 -4.580 -1.721) 5.181 5.628 ( -3.061 0.631 2.581) 4.054 5.737 ( 0.436 -1.106 -0.739) 1.400 5.746 ( 0.581 -0.333 -0.808) 1.050 5.804 ( -0.303 -0.152 -2.179) 2.205 5.849 ( 0.883 0.863 -0.800) 1.471 5.958 ( 1.300 -0.436 -3.512) 3.770 6.033 ( 0.120 0.173 1.765) 1.777 6.060 ( -0.481 0.492 0.488) 0.844 6.225 ( -1.835 1.065 5.851) 6.224 6.296 ( 2.840 -0.877 1.915) 3.536 6.328 ( -1.706 1.027 -2.543) 3.230 6.463 ( 1.430 -3.063 -6.130) 7.001 6.704 ( 0.838 1.588 1.914) 2.625 6.756 ( 1.122 1.067 -0.945) 1.814 7.064 ( -1.144 -0.095 1.739) 2.084 7.188 ( 1.751 -3.929 -2.172) 4.818 7.613 ( 0.206 1.690 1.810) 2.485 7.670 ( -0.666 1.182 -0.582) 1.476 7.728 ( -1.549 -0.807 1.140) 2.086 7.769 ( 0.544 -0.935 2.920) 3.114 7.835 ( -1.646 1.578 3.336) 4.041 7.897 ( -0.318 -0.168 0.367) 0.514 8.177 ( -0.614 0.678 2.328) 2.501 8.268 ( 0.496 -1.423 -1.592) 2.192 13.013 ( 2.946 1.354 1.420) 3.539 13.146 ( 4.524 -1.475 -4.546) 6.581 13.614 ( -1.031 0.834 4.434) 4.628 13.826 ( -4.380 -3.447 -11.379) 12.670 15.696 ( 0.155 4.008 2.615) 4.788 15.754 ( 0.628 2.724 -1.622) 3.232 16.485 ( -4.007 -1.749 3.095) 5.357 16.511 ( -6.371 -2.384 0.422) 6.816 16.903 ( -3.924 2.718 2.640) 5.455 17.160 ( 2.629 -3.739 -3.616) 5.828 18.429 ( -3.632 3.793 5.200) 7.391 18.742 ( 1.355 -4.021 -6.002) 7.350 20.020 ( -1.298 0.574 0.639) 1.556 20.079 ( 1.389 -0.778 -0.092) 1.595 20.310 ( -1.331 0.457 0.806) 1.622 20.352 ( 0.031 -0.441 -0.333) 0.553 21.344 ( -0.039 0.508 0.430) 0.667 21.354 ( -0.221 0.632 -0.047) 0.671 22.146 ( -2.388 -0.157 3.816) 4.504 22.260 ( 0.904 -2.920 -2.192) 3.761 22.986 ( 1.332 0.069 -2.893) 3.185 22.987 ( 2.684 -0.120 -1.057) 2.887 23.213 ( -2.123 0.420 2.242) 3.116 23.298 ( 0.437 -1.612 0.738) 1.826 45.597 ( -0.775 2.091 1.185) 2.525 45.678 ( 1.245 0.160 -0.879) 1.532 46.510 ( -0.106 -3.314 -0.388) 3.338 46.573 ( 2.930 -3.443 -0.958) 4.621 46.871 ( -2.179 3.573 1.368) 4.403 46.936 ( 0.771 3.410 0.296) 3.509 47.631 ( -1.786 0.175 0.918) 2.015 47.715 ( -0.373 -1.640 -2.294) 2.845 95.697 ( 1.150 0.524 2.478) 2.782 95.734 ( -1.252 -0.338 -2.017) 2.398 95.976 ( -1.178 1.844 1.800) 2.833 96.014 ( -1.023 0.810 2.840) 3.125 96.077 ( 0.542 -1.304 -1.610) 2.142 96.200 ( 0.353 2.954 0.240) 2.985 96.323 ( -3.169 -5.647 -2.513) 6.946 96.454 ( 4.467 -4.110 -2.804) 6.686 98.482 ( -1.417 2.079 2.162) 3.317 98.617 ( 0.550 -0.942 -3.305) 3.480 99.268 ( -3.351 1.918 -0.363) 3.879 99.331 ( 2.783 -0.009 1.028) 2.967 104.714 ( 0.087 0.651 -0.023) 0.657 104.732 ( 0.522 1.068 -0.324) 1.232 104.858 ( -1.570 0.715 1.084) 2.037 104.952 ( 2.456 -1.164 0.205) 2.725 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -14.864 4.602 0.265) 15.563 1.049 ( -19.284 5.330 13.638) 24.213 1.233 ( -10.871 -3.614 8.061) 14.008 1.394 ( -1.170 -1.098 2.196) 2.720 1.602 ( -18.354 8.114 -6.524) 21.101 1.660 ( -12.882 -4.490 -7.425) 15.532 1.851 ( -5.062 -7.463 -0.864) 9.059 1.981 ( 5.548 3.272 -6.702) 9.295 2.161 ( 7.435 1.956 -6.765) 10.241 2.186 ( 3.856 0.521 0.243) 3.898 2.393 ( 8.618 -1.168 5.840) 10.476 2.557 ( 6.034 -3.273 9.984) 12.116 2.714 ( -1.130 0.755 0.231) 1.379 2.758 ( 0.187 -1.334 -0.291) 1.378 2.845 ( 2.840 2.719 0.497) 3.963 2.894 ( 1.501 1.945 -0.144) 2.461 2.985 ( -2.929 -0.461 -2.493) 3.874 3.056 ( -0.770 -1.017 -0.250) 1.300 3.078 ( 0.761 -0.168 -1.108) 1.355 3.156 ( 0.657 -3.972 1.413) 4.267 3.379 ( 5.822 5.340 -2.272) 8.221 3.474 ( 5.272 0.746 -2.598) 5.925 3.508 ( 0.535 0.942 -1.002) 1.476 3.595 ( 1.683 -0.251 0.884) 1.918 3.696 ( 0.401 -0.933 0.851) 1.325 3.732 ( -1.858 0.365 0.071) 1.895 3.765 ( 1.031 0.643 0.022) 1.215 3.861 ( 0.671 -2.069 -1.300) 2.534 3.992 ( -0.229 1.775 1.548) 2.367 4.033 ( -0.828 4.020 2.979) 5.071 4.211 ( -1.084 -0.579 4.021) 4.205 4.290 ( 0.835 1.470 -1.035) 1.982 4.355 ( -1.476 -0.409 -0.043) 1.532 4.441 ( 1.004 1.926 0.373) 2.204 4.691 ( 2.097 -5.421 -2.258) 6.235 4.744 ( 4.298 -3.994 3.727) 6.951 5.628 ( -2.607 0.265 3.055) 4.025 5.717 ( 0.147 0.077 -1.863) 1.871 5.765 ( 0.869 -1.829 0.959) 2.241 5.788 ( 0.524 -0.013 -0.245) 0.579 5.854 ( 0.333 1.726 0.411) 1.805 5.934 ( 1.637 -0.388 -2.619) 3.113 6.029 ( -1.030 0.790 -0.373) 1.350 6.067 ( -0.302 -0.458 0.660) 0.858 6.219 ( -3.295 0.324 -3.413) 4.755 6.291 ( -1.440 2.365 4.458) 5.248 6.382 ( 2.353 -3.154 -3.554) 5.302 6.411 ( 2.594 -2.040 -0.096) 3.301 6.714 ( 0.168 0.981 -1.555) 1.846 6.783 ( 2.033 0.966 1.303) 2.601 7.060 ( -2.210 0.242 1.629) 2.756 7.177 ( 1.492 -2.740 -2.726) 4.143 7.614 ( -0.561 0.466 -0.340) 0.805 7.676 ( -0.285 0.836 0.934) 1.286 7.729 ( 0.557 0.754 0.373) 1.010 7.817 ( -0.709 -1.188 3.646) 3.900 7.852 ( -1.665 0.760 2.592) 3.174 7.906 ( 1.312 -0.474 -0.128) 1.401 8.178 ( -2.350 0.444 1.088) 2.627 8.249 ( 0.539 -1.240 -1.822) 2.269 13.095 ( 5.331 1.490 0.461) 5.555 13.140 ( 4.644 -0.023 -4.840) 6.708 13.627 ( -4.206 -1.444 -3.368) 5.578 13.725 ( -0.707 -2.352 8.955) 9.286 15.725 ( 1.160 2.065 0.598) 2.442 15.801 ( 3.468 3.959 3.242) 6.182 16.458 ( -5.885 -3.195 6.253) 9.163 16.487 ( -4.038 -2.103 5.225) 6.930 16.888 ( -4.077 2.716 3.652) 6.110 17.152 ( 2.724 -3.538 -3.115) 5.444 18.469 ( -3.535 1.353 8.544) 9.345 18.671 ( 0.678 -2.921 -5.999) 6.707 19.997 ( -1.895 0.613 -0.417) 2.035 20.081 ( 0.414 -1.218 -1.480) 1.961 20.296 ( -1.955 0.410 0.495) 2.058 20.349 ( -0.129 -0.512 0.046) 0.530 21.341 ( -0.656 0.680 0.132) 0.954 21.364 ( 0.915 0.224 0.471) 1.053 22.150 ( -3.443 -0.739 3.463) 4.939 22.208 ( -1.420 -2.649 -4.952) 5.792 22.947 ( 1.279 0.894 -3.806) 4.113 23.042 ( 3.132 -2.966 0.852) 4.397 23.207 ( -2.525 0.426 1.855) 3.162 23.296 ( -0.594 -2.163 -0.919) 2.424 45.605 ( -0.367 2.253 1.089) 2.529 45.685 ( 1.396 0.122 -1.029) 1.738 46.512 ( 1.165 -1.944 -0.107) 2.269 46.609 ( 3.420 -3.494 -0.748) 4.946 46.841 ( -3.394 3.690 0.468) 5.036 46.933 ( -0.325 2.790 -1.171) 3.043 47.614 ( -2.636 -0.030 1.398) 2.984 47.678 ( -0.843 -1.315 -1.645) 2.268 95.666 ( -2.312 0.827 -3.073) 3.934 95.724 ( -0.567 -0.409 0.381) 0.797 95.981 ( -2.498 0.569 2.289) 3.436 96.041 ( -0.794 0.662 2.720) 2.910 96.067 ( 1.135 -1.573 -1.521) 2.465 96.167 ( 0.390 1.194 -7.499) 7.604 96.246 ( -3.647 -2.711 0.569) 4.580 96.482 ( 1.736 -8.157 0.299) 8.345 98.491 ( -1.734 1.413 2.350) 3.244 98.583 ( 0.470 -0.291 -2.488) 2.549 99.242 ( -0.156 5.116 0.325) 5.129 99.432 ( 4.376 -1.040 6.748) 8.109 104.717 ( 0.224 0.621 0.155) 0.678 104.738 ( 0.789 1.315 -0.275) 1.558 104.850 ( -0.937 1.912 0.573) 2.205 104.987 ( 2.660 -1.217 -1.007) 3.094 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -13.133 9.496 1.679) 16.293 0.886 ( -19.884 10.726 1.352) 22.633 1.160 ( -12.384 2.067 11.323) 16.907 1.314 ( -13.038 -3.009 6.947) 15.077 1.375 ( -14.113 5.184 13.242) 20.035 1.520 ( -2.189 -2.240 -0.510) 3.173 1.796 ( -5.059 -8.709 2.944) 10.493 2.011 ( 9.416 1.400 -6.245) 11.385 2.159 ( 7.125 0.812 -7.247) 10.196 2.241 ( 3.644 -0.795 -0.742) 3.803 2.546 ( 1.610 0.226 2.450) 2.941 2.646 ( -0.482 -4.159 -0.767) 4.256 2.727 ( -1.327 -1.032 2.455) 2.976 2.812 ( 2.958 -4.253 0.277) 5.188 2.875 ( -0.270 1.608 -1.394) 2.145 2.912 ( 1.742 3.010 0.450) 3.507 2.914 ( 0.607 2.781 -1.736) 3.334 3.042 ( 1.109 -1.116 -3.690) 4.011 3.067 ( -1.996 -2.231 2.700) 4.031 3.160 ( -0.125 -3.709 -0.416) 3.735 3.372 ( 4.561 4.269 -7.279) 9.592 3.491 ( 3.396 3.386 -3.433) 5.898 3.528 ( 1.966 -2.047 0.788) 2.945 3.616 ( -0.172 0.618 0.204) 0.673 3.724 ( 0.056 1.372 0.564) 1.485 3.751 ( -0.071 -2.142 0.934) 2.338 3.793 ( 2.597 -0.384 2.165) 3.403 3.865 ( 2.020 0.119 0.965) 2.242 4.012 ( -0.587 2.156 0.487) 2.287 4.054 ( 0.551 3.973 0.241) 4.018 4.231 ( -0.818 -1.210 0.761) 1.647 4.310 ( 0.301 0.807 2.539) 2.681 4.328 ( -0.276 0.192 -0.945) 1.003 4.490 ( -0.096 6.111 3.106) 6.856 4.673 ( 2.980 -5.079 -4.771) 7.579 4.884 ( 6.415 -4.726 0.369) 7.976 5.624 ( -3.087 -0.213 1.926) 3.645 5.695 ( 0.736 -0.134 -1.856) 2.001 5.788 ( 0.160 -1.010 1.015) 1.441 5.815 ( 1.316 -0.882 1.769) 2.375 5.869 ( -0.556 2.297 0.287) 2.380 5.931 ( 1.608 -0.111 -1.483) 2.190 6.019 ( 0.674 0.235 2.421) 2.524 6.071 ( -0.222 -0.363 0.720) 0.836 6.131 ( -1.679 -0.038 -2.104) 2.693 6.260 ( -3.253 -2.911 -5.623) 7.118 6.346 ( -1.004 2.459 3.466) 4.366 6.500 ( 1.626 -1.740 4.284) 4.901 6.698 ( 0.897 2.335 -0.796) 2.625 6.831 ( 1.327 0.035 1.397) 1.927 7.055 ( -2.085 -0.474 2.237) 3.095 7.159 ( 1.830 -1.745 -3.254) 4.121 7.597 ( 0.032 1.632 -1.635) 2.310 7.678 ( -0.790 -1.366 0.936) 1.835 7.745 ( 0.682 1.936 -0.122) 2.056 7.848 ( -1.771 -1.288 3.487) 4.118 7.859 ( 0.162 -0.300 -0.263) 0.431 7.919 ( 0.455 -2.406 -0.273) 2.464 8.152 ( -2.813 0.879 1.317) 3.228 8.242 ( 1.282 -1.298 -0.952) 2.058 13.153 ( 4.796 0.363 -2.134) 5.262 13.224 ( 8.143 -1.697 4.399) 9.410 13.565 ( -2.209 2.549 2.178) 4.015 13.864 ( -2.712 -3.948 12.134) 13.045 15.766 ( 2.564 1.645 1.387) 3.347 15.914 ( 3.885 4.083 3.741) 6.765 16.490 ( -4.993 -3.415 5.808) 8.386 16.536 ( -2.300 -7.870 10.552) 13.363 16.882 ( -4.171 2.896 4.032) 6.484 17.156 ( 3.291 -2.867 -2.485) 5.022 18.552 ( -3.290 -5.476 5.957) 8.734 18.611 ( 1.169 -3.032 -1.574) 3.611 19.958 ( -1.590 0.661 -1.004) 1.994 20.054 ( -0.153 -1.677 -2.395) 2.928 20.258 ( -3.518 1.101 -0.126) 3.688 20.349 ( -0.103 -0.799 0.187) 0.827 21.337 ( -0.546 0.679 0.763) 1.158 21.387 ( 1.194 -0.485 0.406) 1.352 22.106 ( -2.914 -0.077 -1.448) 3.255 22.156 ( -3.487 -0.979 4.974) 6.153 22.918 ( 1.908 1.327 -3.423) 4.137 23.079 ( -0.085 -6.685 -0.162) 6.687 23.197 ( -2.060 -0.177 1.627) 2.631 23.256 ( -1.804 -1.977 -1.609) 3.123 45.617 ( 0.274 2.450 0.725) 2.569 45.688 ( 1.225 0.051 -1.357) 1.829 46.545 ( 2.661 -0.674 0.551) 2.800 46.657 ( 3.938 -2.559 0.030) 4.696 46.791 ( -3.677 3.839 0.177) 5.319 46.901 ( -1.220 1.866 -1.081) 2.478 47.593 ( -2.996 0.008 1.633) 3.412 47.646 ( -0.664 -1.069 -1.106) 1.675 95.597 ( -1.318 0.796 -2.308) 2.774 95.696 ( -1.456 -1.665 -1.572) 2.713 95.953 ( -4.997 -0.568 -6.669) 8.352 95.965 ( -3.245 -0.447 -0.880) 3.392 96.068 ( -0.662 0.837 2.625) 2.834 96.130 ( 0.072 -0.248 3.152) 3.162 96.209 ( -0.954 0.856 -1.277) 1.809 96.530 ( -0.072 -11.593 4.941) 12.603 98.495 ( -2.119 1.081 2.123) 3.188 98.563 ( 0.799 0.051 -1.686) 1.866 99.262 ( 1.295 7.802 0.732) 7.943 99.672 ( 9.423 -6.114 11.425) 16.022 104.725 ( 0.334 0.500 0.329) 0.685 104.747 ( 0.839 1.078 -0.297) 1.399 104.849 ( 0.797 4.001 -0.637) 4.129 104.994 ( 1.796 -0.791 -2.726) 3.359 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -1.538 10.503 14.417) 17.903 0.713 ( -4.271 20.741 7.480) 22.459 1.190 ( -7.666 0.591 11.440) 13.784 1.314 ( -4.668 -5.520 12.057) 14.058 1.453 ( -9.205 5.710 20.247) 22.962 1.487 ( -5.379 -3.528 4.604) 7.911 1.781 ( -5.137 -8.207 5.950) 11.364 2.055 ( 7.528 -0.617 -6.291) 9.830 2.168 ( 5.565 1.823 -5.697) 8.170 2.288 ( 5.049 -0.363 -1.708) 5.342 2.494 ( -5.328 0.717 -3.001) 6.157 2.624 ( 0.191 -4.564 -2.684) 5.298 2.720 ( -1.281 1.002 -4.981) 5.240 2.774 ( -1.495 -2.800 0.848) 3.285 2.859 ( 0.069 -1.616 -2.373) 2.871 2.900 ( 0.302 4.802 -0.899) 4.895 2.923 ( -0.958 0.371 -2.759) 2.944 2.994 ( -0.016 0.117 -1.253) 1.259 3.119 ( 0.021 -2.222 4.580) 5.090 3.176 ( 2.387 -2.680 0.409) 3.612 3.353 ( 3.847 3.810 -4.337) 6.938 3.502 ( 1.865 3.816 -0.545) 4.282 3.565 ( 0.795 -2.276 0.093) 2.412 3.619 ( 1.379 -0.967 -0.145) 1.690 3.724 ( -2.667 1.130 1.188) 3.131 3.743 ( 1.425 -0.497 -1.160) 1.904 3.831 ( 1.160 -0.938 -0.019) 1.492 3.926 ( -0.110 -1.174 1.133) 1.635 4.004 ( 2.664 1.780 -1.655) 3.607 4.038 ( -0.633 0.530 -2.754) 2.875 4.220 ( -0.247 -0.491 -1.084) 1.216 4.310 ( -0.440 1.652 -1.416) 2.220 4.356 ( 0.274 0.149 3.136) 3.152 4.493 ( -2.923 6.330 0.513) 6.992 4.645 ( 2.368 -4.848 -5.088) 7.416 4.818 ( -3.381 -1.996 -10.491) 11.201 5.584 ( -3.221 0.679 -0.379) 3.314 5.695 ( 1.195 -0.288 -0.244) 1.253 5.796 ( -0.871 -0.438 -0.066) 0.977 5.821 ( -1.257 0.458 0.795) 1.556 5.869 ( 1.381 -0.398 0.367) 1.483 5.917 ( -0.251 0.204 -1.707) 1.737 6.074 ( -0.168 -0.113 -1.112) 1.130 6.101 ( -2.516 -3.095 0.717) 4.053 6.139 ( 0.938 -0.448 2.740) 2.930 6.243 ( 6.227 -2.255 5.474) 8.592 6.406 ( 2.642 4.749 4.835) 7.274 6.568 ( 0.018 -2.217 3.741) 4.348 6.719 ( 1.318 1.915 0.777) 2.451 6.853 ( -0.653 -0.508 0.962) 1.269 7.058 ( -0.792 -1.459 0.985) 1.930 7.137 ( 1.956 -1.084 -4.065) 4.639 7.575 ( 0.469 1.904 -1.611) 2.538 7.678 ( -0.919 -1.629 0.585) 1.960 7.738 ( -0.600 1.083 -0.800) 1.474 7.834 ( -0.289 -1.050 -2.883) 3.082 7.866 ( -1.885 -0.912 2.550) 3.299 7.918 ( 0.162 -2.213 -0.336) 2.244 8.144 ( -1.611 1.253 2.365) 3.124 8.256 ( 1.463 -1.589 -0.226) 2.172 13.187 ( 3.853 1.443 -1.968) 4.561 13.410 ( 5.707 -2.462 0.062) 6.215 13.667 ( 7.213 -2.795 8.441) 11.450 13.947 ( -6.739 -4.357 8.652) 11.801 15.839 ( 3.222 1.907 2.793) 4.671 16.000 ( 1.639 5.525 2.445) 6.261 16.465 ( -7.832 -2.691 4.031) 9.211 16.585 ( -7.552 -14.018 2.140) 16.066 16.882 ( -3.386 3.665 4.255) 6.557 17.174 ( 3.599 -1.618 -3.087) 5.010 18.505 ( -5.384 -6.089 -0.934) 8.182 18.577 ( -4.668 -6.120 -3.605) 8.499 19.940 ( 0.131 0.834 0.067) 0.847 20.025 ( 0.690 -1.379 -1.774) 2.351 20.220 ( -1.965 1.961 2.120) 3.493 20.351 ( 0.061 -1.210 0.083) 1.214 21.349 ( -0.202 0.543 1.656) 1.755 21.410 ( 1.024 -1.036 0.506) 1.542 22.183 ( -2.043 -0.558 7.047) 7.359 22.209 ( 8.189 -1.116 7.761) 11.337 22.911 ( 3.109 1.250 -2.754) 4.337 23.019 ( -5.668 -5.954 -1.320) 8.326 23.183 ( -2.189 -0.714 1.365) 2.677 23.232 ( -0.417 -1.889 0.299) 1.957 45.626 ( -0.131 2.400 0.165) 2.409 45.685 ( 0.962 -0.113 -1.132) 1.490 46.603 ( 3.021 -0.018 1.576) 3.408 46.715 ( 2.271 -0.697 -0.307) 2.395 46.745 ( -2.105 3.594 0.551) 4.201 46.889 ( 0.617 -0.942 0.154) 1.136 47.574 ( -2.539 0.245 1.619) 3.021 47.629 ( 0.208 -0.970 -0.792) 1.269 95.575 ( 1.204 0.875 -0.256) 1.510 95.663 ( -0.185 -1.526 -0.744) 1.708 95.817 ( -3.799 2.247 0.440) 4.435 95.937 ( -2.119 -1.122 0.681) 2.493 96.097 ( -0.811 1.569 2.881) 3.379 96.179 ( -0.688 0.170 2.210) 2.321 96.202 ( 0.647 0.573 2.378) 2.530 96.605 ( 2.190 -13.240 2.568) 13.663 98.488 ( -2.365 1.100 1.813) 3.176 98.559 ( 1.272 0.054 -1.023) 1.634 99.296 ( 0.382 8.104 2.373) 8.453 99.902 ( 5.275 -13.146 0.263) 14.167 104.734 ( 0.183 0.315 0.379) 0.525 104.752 ( 0.306 0.484 -0.224) 0.615 104.841 ( 0.701 4.923 -2.535) 5.582 104.972 ( 1.484 -0.448 -3.365) 3.705 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.406 13.330 9.859) 16.639 1.180 ( 1.202 3.760 12.157) 12.782 1.271 ( -4.670 0.027 13.530) 14.313 1.301 ( -1.694 -7.220 9.001) 11.662 1.452 ( 3.687 2.888 1.803) 5.018 1.603 ( -0.194 -10.501 5.274) 11.752 1.900 ( -0.445 9.347 18.392) 20.636 2.025 ( 2.042 -2.915 0.227) 3.567 2.171 ( -1.922 1.816 -5.987) 6.545 2.218 ( -4.355 -3.075 -3.855) 6.578 2.441 ( 2.390 2.484 -1.788) 3.883 2.511 ( 2.746 -4.805 -1.855) 5.837 2.691 ( 0.145 2.405 -2.539) 3.501 2.719 ( 0.932 -1.577 -2.899) 3.430 2.792 ( -1.730 0.462 -2.370) 2.970 2.824 ( -1.025 -2.011 -2.987) 3.744 2.996 ( -1.408 4.727 1.320) 5.105 3.038 ( -1.440 1.734 1.596) 2.762 3.116 ( 0.885 -1.406 0.704) 1.804 3.159 ( 1.934 -4.036 0.290) 4.485 3.423 ( 1.360 4.113 -2.704) 5.107 3.488 ( -1.219 -2.750 -1.907) 3.562 3.593 ( -0.456 0.960 -0.009) 1.063 3.603 ( 1.591 -0.471 -0.829) 1.855 3.735 ( -1.281 4.554 -0.106) 4.732 3.780 ( -0.051 1.547 2.640) 3.060 3.816 ( 0.537 -1.306 -0.865) 1.656 3.885 ( 2.593 -7.132 -3.451) 8.336 3.918 ( -3.652 2.651 -2.104) 4.979 3.976 ( -3.191 -3.139 -1.011) 4.589 4.242 ( 2.809 3.971 -5.108) 7.054 4.294 ( 1.877 -0.834 -3.650) 4.188 4.412 ( -1.183 1.686 1.207) 2.387 4.468 ( -3.071 -2.855 -2.202) 4.736 4.557 ( -0.671 2.728 -3.450) 4.449 4.623 ( -1.120 -3.201 -4.693) 5.790 5.594 ( -0.801 3.341 0.702) 3.506 5.665 ( 0.182 -4.134 0.463) 4.164 5.795 ( -0.408 2.287 -0.119) 2.326 5.827 ( -0.528 -0.967 0.527) 1.221 5.869 ( -0.211 0.083 -0.065) 0.236 5.882 ( -1.369 -1.225 1.240) 2.217 6.021 ( 0.571 1.486 -3.494) 3.839 6.061 ( 0.940 -2.380 -1.922) 3.200 6.239 ( 0.985 3.070 4.021) 5.154 6.303 ( 1.693 -3.341 2.710) 4.623 6.565 ( 0.963 1.548 4.263) 4.637 6.594 ( 1.261 -1.374 3.701) 4.144 6.769 ( -1.930 1.864 1.455) 3.052 6.809 ( -2.951 -2.162 1.135) 3.830 7.052 ( 1.106 0.970 -1.730) 2.271 7.080 ( 1.873 -1.713 -3.384) 4.230 7.601 ( 0.392 1.448 -0.494) 1.580 7.628 ( -0.860 -1.490 -0.626) 1.831 7.740 ( -0.835 1.687 -0.242) 1.898 7.772 ( -0.783 -1.551 -1.175) 2.098 7.868 ( -1.452 0.994 1.074) 2.061 7.891 ( -0.823 -1.273 0.482) 1.590 8.191 ( -0.112 1.930 1.347) 2.356 8.233 ( 0.667 -2.415 0.301) 2.524 13.319 ( 3.917 6.530 0.555) 7.635 13.417 ( 2.254 -2.475 -1.098) 3.523 13.747 ( -2.232 -2.002 5.897) 6.615 13.807 ( -4.602 -6.763 3.547) 8.916 16.031 ( 2.012 7.128 5.833) 9.428 16.129 ( 2.849 0.846 2.017) 3.591 16.279 ( -11.654 -4.568 5.245) 13.571 16.311 ( -10.988 -4.020 2.261) 11.917 16.991 ( -1.962 6.363 2.641) 7.163 17.107 ( 0.010 -5.407 -0.309) 5.416 18.376 ( -1.936 3.364 -0.647) 3.935 18.460 ( 3.221 -5.006 -3.301) 6.806 19.971 ( 0.810 1.566 0.114) 1.767 20.000 ( 1.170 -1.359 -0.641) 1.904 20.271 ( -0.314 2.065 1.367) 2.497 20.315 ( -0.160 -2.445 0.302) 2.469 21.385 ( -0.049 0.884 1.487) 1.731 21.405 ( 0.185 -1.295 0.910) 1.594 22.260 ( -2.407 3.222 6.872) 7.963 22.345 ( 2.884 -5.988 5.918) 8.899 22.927 ( 0.629 1.766 -1.165) 2.207 22.950 ( 3.449 -0.216 -1.960) 3.973 23.161 ( -1.398 -0.290 1.432) 2.022 23.183 ( -0.816 -2.344 0.522) 2.536 45.655 ( -0.429 1.467 -0.198) 1.542 45.675 ( 0.300 -0.818 -0.549) 1.030 46.695 ( 2.106 1.801 1.229) 3.031 46.715 ( 0.016 -0.015 0.378) 0.378 46.789 ( -0.719 1.866 0.534) 2.070 46.838 ( -0.512 -3.177 -0.592) 3.272 47.582 ( -0.288 1.212 0.638) 1.400 47.608 ( 0.875 -1.514 -0.094) 1.751 95.631 ( 2.522 0.941 0.005) 2.692 95.647 ( 1.369 -0.615 -0.647) 1.634 95.851 ( -0.664 1.856 1.827) 2.688 95.889 ( -1.221 -2.022 0.959) 2.549 96.175 ( -0.102 2.827 3.070) 4.175 96.221 ( -0.471 -1.876 4.886) 5.255 96.273 ( 1.026 5.736 0.328) 5.836 96.430 ( 1.525 -10.658 0.609) 10.783 98.515 ( -1.194 2.295 1.486) 2.983 98.554 ( 0.364 -1.719 0.675) 1.882 99.479 ( -1.448 8.525 1.266) 8.739 99.652 ( -3.115 -9.968 -1.701) 10.581 104.745 ( -0.183 0.280 0.346) 0.482 104.750 ( -0.252 -0.239 0.216) 0.410 104.879 ( 0.304 2.995 -3.191) 4.387 104.921 ( 0.797 -1.571 -3.901) 4.280 ======================= Grid point 126 (70/108) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.005 10.465 6.929) 12.710 1.271 ( -2.900 1.630 3.500) 4.829 1.342 ( -5.267 -1.087 8.264) 9.860 1.428 ( -2.027 -4.878 10.108) 11.405 1.592 ( 4.668 1.050 5.325) 7.159 1.704 ( 1.672 -7.672 7.185) 10.644 1.849 ( -8.231 3.160 -13.914) 16.472 1.908 ( -7.527 -2.958 -11.651) 14.182 2.232 ( 5.212 5.312 13.116) 15.080 2.275 ( 5.997 1.546 8.687) 10.668 2.500 ( 5.817 1.366 -0.507) 5.997 2.548 ( 3.385 -3.425 -1.173) 4.956 2.676 ( 1.084 0.922 -2.847) 3.183 2.689 ( 1.788 0.518 -1.021) 2.123 2.750 ( -0.032 0.922 -1.763) 1.990 2.791 ( 0.712 -2.289 -1.574) 2.868 3.002 ( -0.739 3.332 1.471) 3.716 3.038 ( -0.760 1.736 1.219) 2.253 3.105 ( -2.276 -1.840 -0.865) 3.052 3.141 ( -2.587 -3.291 -1.834) 4.570 3.401 ( -0.516 2.551 -1.043) 2.804 3.431 ( -1.556 -1.060 -2.521) 3.147 3.553 ( -2.820 3.953 -1.282) 5.022 3.612 ( 0.218 -1.550 -0.541) 1.656 3.719 ( 0.040 4.044 -0.556) 4.082 3.784 ( 0.108 -0.773 -1.294) 1.511 3.825 ( 0.475 1.012 2.428) 2.673 3.867 ( -1.246 -1.099 1.598) 2.305 3.908 ( 0.402 -3.087 -0.067) 3.114 3.938 ( -2.584 -5.837 3.028) 7.066 4.199 ( 3.361 4.286 -6.865) 8.763 4.258 ( 2.059 -0.875 -5.427) 5.871 4.414 ( -2.233 -0.768 1.772) 2.952 4.421 ( -0.676 -1.156 0.555) 1.450 4.524 ( 1.644 2.157 -1.884) 3.302 4.589 ( 2.034 -3.542 -1.969) 4.534 5.607 ( -0.204 3.367 2.185) 4.019 5.675 ( 0.251 -3.640 0.408) 3.671 5.796 ( 0.746 2.101 0.062) 2.230 5.829 ( 0.518 -1.322 0.506) 1.508 5.871 ( -0.097 1.090 0.213) 1.115 5.902 ( -0.526 -2.189 2.913) 3.681 5.981 ( 1.184 2.501 -3.755) 4.664 6.039 ( 0.940 -3.327 -2.958) 4.550 6.286 ( -1.442 2.418 2.826) 3.990 6.331 ( -1.003 -1.955 0.851) 2.356 6.595 ( -3.264 1.806 1.669) 4.087 6.624 ( -2.021 -1.159 1.133) 2.590 6.776 ( -0.628 -0.270 2.434) 2.528 6.784 ( -2.320 -1.037 1.616) 3.011 7.039 ( 1.101 1.078 -2.484) 2.923 7.065 ( 2.130 -1.426 -3.011) 3.954 7.598 ( -0.319 0.919 -0.501) 1.095 7.614 ( 0.416 -0.574 -0.216) 0.741 7.733 ( -0.388 1.008 0.460) 1.174 7.751 ( -0.246 -0.787 -0.654) 1.053 7.850 ( -2.710 1.326 1.012) 3.182 7.877 ( -1.709 -1.350 0.635) 2.269 8.202 ( -0.564 1.775 0.712) 1.994 8.242 ( 0.447 -2.389 -0.270) 2.446 13.309 ( -5.186 4.985 -1.026) 7.266 13.376 ( -3.645 -1.129 -2.237) 4.423 13.755 ( -1.664 3.813 4.126) 5.859 13.905 ( 6.188 -10.987 4.552) 13.406 16.024 ( -9.430 7.737 1.090) 12.247 16.152 ( -8.726 -5.391 -0.152) 10.258 16.224 ( 3.176 5.317 7.206) 9.502 16.338 ( 2.914 -6.505 7.527) 10.367 16.994 ( -2.071 5.837 2.204) 6.573 17.096 ( -0.191 -4.701 -0.644) 4.749 18.373 ( 2.444 5.776 -0.435) 6.287 18.494 ( 6.499 -6.656 -2.449) 9.620 19.983 ( 0.702 1.494 -0.197) 1.663 20.004 ( 1.046 -0.686 -1.095) 1.662 20.287 ( 0.078 1.164 1.098) 1.602 20.318 ( 0.222 -1.900 -0.038) 1.913 21.397 ( -0.867 0.584 1.009) 1.453 21.411 ( -0.800 -0.947 0.471) 1.326 22.282 ( -5.283 5.219 4.160) 8.512 22.401 ( -2.793 -7.437 2.082) 8.213 22.935 ( 3.028 3.474 -1.889) 4.981 22.982 ( 4.208 -1.207 -1.931) 4.785 23.167 ( -0.785 -0.796 1.440) 1.823 23.181 ( -0.392 -2.034 0.502) 2.132 45.646 ( -0.737 1.632 0.196) 1.801 45.671 ( 0.077 -1.116 -0.382) 1.182 46.674 ( -4.005 2.066 0.585) 4.544 46.720 ( -2.736 -2.678 0.245) 3.837 46.798 ( 1.524 2.967 0.385) 3.357 46.846 ( 2.355 -2.048 -0.742) 3.208 47.594 ( 0.971 1.678 0.432) 1.986 47.629 ( 2.211 -1.978 -0.160) 2.971 95.642 ( 0.219 0.942 -1.322) 1.638 95.657 ( 1.637 -0.636 -1.062) 2.052 95.881 ( 0.991 0.515 1.504) 1.873 95.894 ( 0.448 -0.939 0.609) 1.205 96.206 ( -0.656 4.824 1.796) 5.189 96.271 ( -1.482 1.743 3.146) 3.890 96.300 ( 1.981 0.671 0.944) 2.294 96.439 ( 1.010 -9.673 -2.235) 9.979 98.523 ( -0.653 3.120 1.532) 3.536 98.575 ( 1.139 -2.252 0.594) 2.593 99.472 ( -3.105 4.171 2.829) 5.920 99.560 ( -4.796 -5.121 -1.848) 7.256 104.746 ( -0.342 0.121 0.321) 0.485 104.748 ( -0.358 -0.111 0.163) 0.409 104.849 ( 0.206 2.049 -1.394) 2.487 104.880 ( 0.426 -1.226 -2.805) 3.091 ======================= Grid point 127 (71/108) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -2.167 4.158 -1.140) 4.825 1.282 ( -1.019 1.919 2.461) 3.283 1.365 ( -3.408 2.069 4.959) 6.363 1.483 ( -2.370 -6.855 2.612) 7.709 1.532 ( -6.050 5.966 -11.392) 14.212 1.634 ( -5.651 -4.251 -8.818) 11.303 1.713 ( -0.822 3.698 6.527) 7.547 1.816 ( -1.565 -6.567 5.850) 8.933 2.412 ( 4.145 3.812 4.000) 6.908 2.459 ( 4.052 -1.304 -0.515) 4.288 2.568 ( 3.196 0.437 -1.758) 3.674 2.578 ( 5.112 -0.346 -0.534) 5.151 2.697 ( 2.823 2.256 -0.415) 3.638 2.725 ( 2.238 -0.332 1.978) 3.006 2.768 ( 4.736 0.661 0.445) 4.802 2.795 ( 3.379 -1.757 -0.878) 3.909 2.980 ( -3.301 2.757 -0.984) 4.412 3.047 ( -2.842 -1.395 0.114) 3.168 3.057 ( 0.265 -0.525 0.291) 0.657 3.083 ( -1.707 -0.685 0.657) 1.954 3.369 ( -3.169 2.136 0.018) 3.822 3.385 ( -0.886 0.023 -1.521) 1.760 3.508 ( -2.594 4.995 1.536) 5.834 3.605 ( -0.841 -3.953 0.880) 4.136 3.727 ( 0.453 3.652 1.055) 3.828 3.789 ( 1.086 -2.043 -0.488) 2.365 3.848 ( 0.515 0.562 0.071) 0.765 3.875 ( 0.416 -1.120 -0.025) 1.195 3.938 ( -0.033 -1.622 3.855) 4.182 3.964 ( -1.545 -3.689 3.989) 5.648 4.159 ( 3.481 3.323 -5.550) 7.346 4.211 ( 2.146 -1.271 -5.216) 5.781 4.414 ( -1.213 1.303 1.401) 2.265 4.441 ( 0.616 -0.377 2.358) 2.466 4.546 ( 2.056 0.174 0.397) 2.101 4.607 ( 2.537 -4.288 -0.792) 5.044 5.642 ( 0.109 2.357 2.550) 3.475 5.686 ( 0.950 -1.914 -0.058) 2.137 5.823 ( 1.630 1.439 1.267) 2.516 5.850 ( 1.601 -0.219 -1.316) 2.084 5.871 ( -0.250 2.087 1.147) 2.394 5.933 ( 0.080 -3.225 1.397) 3.516 5.963 ( 1.376 1.450 -0.987) 2.230 6.014 ( 1.034 -3.447 -2.339) 4.292 6.266 ( -3.985 1.564 -0.030) 4.282 6.297 ( -3.686 -1.668 -1.081) 4.188 6.537 ( -3.847 3.451 -0.259) 5.175 6.596 ( -3.207 -2.798 0.791) 4.329 6.768 ( -1.881 1.972 1.016) 2.908 6.811 ( -0.479 -2.517 2.178) 3.363 7.016 ( 0.256 1.968 -2.042) 2.847 7.059 ( 1.538 -2.530 -1.642) 3.386 7.590 ( -0.008 2.082 0.031) 2.082 7.625 ( 0.629 -1.525 0.400) 1.698 7.738 ( -0.038 0.797 0.564) 0.977 7.748 ( 0.340 -0.066 -0.024) 0.347 7.822 ( -3.122 1.845 1.370) 3.876 7.863 ( -2.296 -2.189 1.520) 3.517 8.194 ( -1.367 2.053 0.354) 2.492 8.238 ( 0.056 -2.522 -0.714) 2.622 13.192 ( -6.927 2.580 -1.163) 7.483 13.254 ( -8.118 -3.421 -1.473) 8.932 13.828 ( 3.598 11.251 2.414) 12.056 14.057 ( 6.573 -12.540 2.280) 14.340 15.903 ( -7.732 7.284 0.904) 10.661 16.027 ( -7.802 -5.530 0.689) 9.587 16.394 ( 4.000 5.083 7.246) 9.713 16.498 ( 3.528 -5.552 6.703) 9.391 16.997 ( -1.127 5.107 1.713) 5.504 17.088 ( 0.705 -4.437 -0.888) 4.579 18.425 ( 4.453 7.322 0.023) 8.570 18.573 ( 7.393 -8.109 -1.492) 11.074 19.986 ( 0.425 1.127 -0.433) 1.280 20.001 ( 0.781 -0.400 -1.274) 1.547 20.303 ( 0.220 0.707 0.823) 1.107 20.321 ( 0.638 -1.176 -0.281) 1.367 21.388 ( -1.401 0.291 0.387) 1.483 21.397 ( -1.391 -0.562 -0.027) 1.500 22.230 ( -6.545 5.646 1.529) 8.777 22.345 ( -5.539 -6.532 -0.126) 8.565 22.953 ( 3.302 3.772 -2.424) 5.568 23.012 ( 3.377 -2.223 -1.967) 4.496 23.175 ( -0.520 -0.704 1.122) 1.424 23.187 ( -0.253 -1.606 0.856) 1.837 45.638 ( -0.836 1.787 0.399) 2.012 45.667 ( -0.064 -1.239 -0.241) 1.264 46.615 ( -3.975 0.967 -0.349) 4.106 46.654 ( -4.470 -3.050 -1.113) 5.525 46.833 ( 1.705 3.128 0.710) 3.633 46.870 ( 1.284 -0.707 0.069) 1.468 47.620 ( 1.810 2.091 0.125) 2.768 47.665 ( 2.958 -2.561 -0.491) 3.944 95.620 ( -0.168 1.721 -1.523) 2.304 95.655 ( 0.770 -1.978 -1.467) 2.580 95.909 ( 1.083 0.766 0.645) 1.475 95.927 ( 1.625 -1.006 1.454) 2.402 96.199 ( -1.242 6.755 -0.813) 6.916 96.274 ( -1.467 2.988 1.009) 3.479 96.346 ( 1.626 -4.091 0.734) 4.463 96.407 ( 0.146 -6.812 -2.531) 7.268 98.536 ( -0.222 3.949 1.198) 4.133 98.602 ( 1.733 -2.823 -0.038) 3.312 99.467 ( -4.280 -0.225 3.334) 5.430 99.472 ( -4.396 -0.784 -0.160) 4.468 104.743 ( -0.461 0.079 0.152) 0.491 104.744 ( -0.398 -0.010 0.068) 0.404 104.844 ( 0.225 0.998 0.018) 1.024 104.859 ( 0.529 -0.559 -1.213) 1.437 ======================= Grid point 128 (72/108) ======================= q-point: ( 0.30 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.443 3.820 -3.465) 5.176 1.199 ( -1.876 3.026 -4.205) 5.510 1.375 ( -2.622 1.027 1.351) 3.124 1.432 ( -4.588 -3.718 0.476) 5.925 1.450 ( 1.734 3.778 1.506) 4.421 1.545 ( 0.126 -5.575 0.741) 5.626 1.749 ( -3.013 3.498 2.190) 5.110 1.831 ( -2.815 -5.178 1.831) 6.172 2.449 ( 0.609 -0.659 -3.720) 3.827 2.456 ( 0.565 -1.144 -2.784) 3.062 2.601 ( 3.908 2.745 -0.641) 4.819 2.635 ( 3.807 -0.690 -0.173) 3.873 2.703 ( 2.716 2.838 -2.612) 4.718 2.753 ( 1.306 -1.651 -3.025) 3.686 2.854 ( 3.358 2.287 4.443) 6.021 2.881 ( 1.610 -0.436 0.372) 1.709 2.956 ( 2.781 0.485 1.161) 3.052 2.999 ( -0.979 -3.329 -1.514) 3.786 3.067 ( -1.774 1.606 1.127) 2.645 3.087 ( 0.495 0.133 -0.127) 0.528 3.314 ( -3.841 2.956 0.231) 4.852 3.348 ( -1.266 -0.931 -1.538) 2.199 3.518 ( -1.545 5.045 3.362) 6.256 3.623 ( -0.294 -5.063 2.624) 5.710 3.749 ( -0.327 2.878 1.050) 3.081 3.790 ( 0.460 -0.256 -0.659) 0.844 3.841 ( -0.283 0.219 -2.037) 2.068 3.876 ( 0.969 -1.803 -0.662) 2.151 3.981 ( -0.787 -0.802 1.357) 1.761 3.990 ( -0.615 -1.423 2.527) 2.964 4.163 ( 3.315 2.043 -1.063) 4.036 4.194 ( 2.817 -0.388 -1.743) 3.335 4.407 ( -1.226 3.949 0.221) 4.141 4.483 ( -0.072 -3.252 1.697) 3.669 4.580 ( 0.350 -0.124 1.561) 1.604 4.636 ( 1.555 -4.572 0.215) 4.834 5.674 ( 0.191 1.527 1.506) 2.154 5.703 ( 1.445 -1.401 -0.139) 2.017 5.827 ( 0.546 3.027 -2.639) 4.053 5.868 ( 0.638 -0.712 -0.261) 0.991 5.900 ( 1.450 2.349 2.351) 3.626 5.949 ( 1.895 -0.501 -0.306) 1.984 5.995 ( 1.111 -3.256 1.306) 3.680 6.005 ( 0.172 -2.565 0.072) 2.572 6.179 ( -4.808 0.617 -1.982) 5.237 6.194 ( -5.134 -1.089 -2.631) 5.871 6.499 ( -1.491 3.740 0.210) 4.031 6.561 ( -2.019 -2.926 -0.109) 3.557 6.752 ( -1.621 3.287 0.463) 3.694 6.815 ( -1.798 -3.352 0.610) 3.853 6.998 ( -0.234 2.923 -0.124) 2.935 7.063 ( 0.993 -4.065 -0.450) 4.209 7.600 ( 0.400 2.632 0.743) 2.764 7.642 ( 0.437 -1.927 0.758) 2.116 7.743 ( -0.222 1.737 0.300) 1.776 7.757 ( 0.235 -0.059 0.640) 0.684 7.803 ( -2.371 1.720 1.934) 3.510 7.852 ( -2.536 -3.021 2.105) 4.471 8.177 ( -1.564 2.605 0.576) 3.093 8.228 ( 0.063 -2.719 -0.646) 2.795 13.091 ( -5.005 0.065 -0.238) 5.011 13.120 ( -7.119 -2.758 -0.864) 7.683 13.891 ( 2.903 13.709 -1.263) 14.070 14.138 ( 3.783 -12.430 -2.358) 13.205 15.823 ( -5.309 6.929 1.346) 8.832 15.938 ( -5.761 -4.837 0.757) 7.560 16.517 ( 0.478 3.697 4.778) 6.060 16.603 ( 0.461 -4.977 3.447) 6.072 17.008 ( -0.146 4.520 1.032) 4.639 17.093 ( 1.739 -4.381 -1.198) 4.863 18.492 ( 3.818 8.176 0.094) 9.024 18.655 ( 5.616 -8.914 -1.339) 10.620 19.988 ( 0.514 0.604 -0.063) 0.795 19.996 ( 0.888 -0.215 -0.921) 1.297 20.317 ( 0.213 0.615 0.718) 0.969 20.330 ( 0.935 -0.707 -0.168) 1.184 21.373 ( -1.059 0.059 0.183) 1.076 21.375 ( -1.156 -0.214 -0.129) 1.183 22.154 ( -4.999 5.401 0.830) 7.406 22.259 ( -4.638 -5.623 -0.538) 7.308 22.965 ( 2.835 3.510 -2.329) 5.077 23.027 ( 2.301 -2.919 -1.936) 4.190 23.185 ( -0.389 -0.245 1.301) 1.380 23.196 ( -0.290 -1.216 1.123) 1.680 45.633 ( -0.764 1.984 0.576) 2.203 45.664 ( -0.044 -1.218 -0.086) 1.222 46.551 ( -2.879 -0.409 -1.200) 3.146 46.571 ( -3.676 -2.448 -1.510) 4.667 46.869 ( 1.242 2.578 1.430) 3.199 46.888 ( 0.433 0.609 0.949) 1.207 47.647 ( 1.800 2.277 -0.272) 2.915 47.698 ( 2.740 -2.958 -1.073) 4.173 95.603 ( 0.448 2.081 -0.882) 2.304 95.649 ( 0.941 -2.787 -0.937) 3.088 95.941 ( 1.296 1.819 1.317) 2.593 95.975 ( 1.513 -1.830 1.947) 3.071 96.155 ( -1.317 6.685 -2.223) 7.167 96.253 ( -1.368 -0.347 -1.049) 1.759 96.344 ( 1.121 -1.906 -2.732) 3.515 96.405 ( 0.340 -5.172 0.743) 5.236 98.547 ( -0.149 4.486 0.615) 4.530 98.622 ( 1.752 -3.314 -0.941) 3.865 99.404 ( -3.600 1.932 -0.372) 4.102 99.449 ( -5.379 -2.825 3.322) 6.925 104.737 ( -0.462 0.298 0.056) 0.553 104.740 ( -0.289 0.012 0.091) 0.303 104.852 ( -0.012 0.434 0.803) 0.912 104.859 ( 0.595 -0.305 -0.010) 0.668 ======================= Grid point 129 (73/108) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.086 5.225 -2.003) 6.390 1.216 ( 1.871 -1.107 3.218) 3.883 1.370 ( -2.291 0.694 3.182) 3.982 1.387 ( -5.629 -1.514 4.005) 7.072 1.524 ( 2.944 3.400 2.661) 5.225 1.602 ( 2.850 -3.122 4.546) 6.208 1.703 ( -2.728 3.099 -1.017) 4.252 1.814 ( -1.910 -7.170 1.512) 7.573 2.372 ( 0.596 -0.512 -8.609) 8.645 2.379 ( 0.378 -1.188 -7.814) 7.913 2.642 ( 1.914 3.768 -2.360) 4.840 2.679 ( 2.315 0.522 -0.873) 2.529 2.731 ( 2.349 0.092 1.520) 2.799 2.747 ( 1.090 -0.747 0.609) 1.456 2.883 ( 0.103 1.644 0.448) 1.707 2.929 ( -0.002 -1.670 1.808) 2.461 2.962 ( 0.641 1.026 -3.501) 3.704 2.999 ( 0.368 -0.783 -1.908) 2.095 3.063 ( 0.137 0.717 0.464) 0.865 3.078 ( -0.457 -0.451 -0.512) 0.821 3.277 ( -2.145 3.343 1.480) 4.239 3.321 ( -0.105 -1.219 0.271) 1.253 3.532 ( -2.222 5.454 2.204) 6.288 3.638 ( -1.100 -4.038 -0.384) 4.202 3.744 ( -1.006 -0.340 0.869) 1.372 3.770 ( -1.226 -2.029 -1.875) 3.023 3.822 ( 0.581 3.849 -0.108) 3.894 3.877 ( 0.698 -1.377 -1.470) 2.132 3.979 ( -1.454 -0.036 1.392) 2.013 4.000 ( -0.403 -2.080 0.638) 2.212 4.200 ( 2.065 2.829 -0.559) 3.547 4.242 ( 3.451 -0.345 0.926) 3.589 4.393 ( -0.541 4.145 -0.008) 4.180 4.477 ( -1.162 -4.766 -0.515) 4.933 4.591 ( -1.830 -0.068 1.148) 2.161 4.642 ( -0.544 -4.615 -0.613) 4.687 5.689 ( -0.424 1.375 0.595) 1.557 5.715 ( 0.282 -1.372 -0.408) 1.459 5.800 ( 1.451 2.505 -3.113) 4.251 5.846 ( 0.033 -1.944 -2.220) 2.951 5.937 ( -1.450 1.406 -0.985) 2.247 5.974 ( -0.934 0.656 0.429) 1.219 5.985 ( 1.309 0.377 0.888) 1.626 6.051 ( 2.284 -3.738 0.862) 4.465 6.110 ( -1.232 0.691 0.575) 1.526 6.130 ( -1.169 -1.618 1.346) 2.408 6.478 ( -1.254 3.015 -0.894) 3.385 6.529 ( -1.275 -2.430 -1.260) 3.020 6.735 ( -1.232 3.123 0.252) 3.366 6.784 ( -2.066 -2.021 -0.205) 2.897 7.011 ( 0.382 2.297 1.675) 2.868 7.077 ( 1.208 -4.676 0.027) 4.830 7.615 ( 0.274 2.701 0.734) 2.813 7.656 ( 0.044 -1.828 0.797) 1.995 7.740 ( -1.665 1.762 1.333) 2.767 7.764 ( -1.025 -0.665 0.438) 1.298 7.809 ( -0.734 1.838 2.305) 3.038 7.853 ( -1.404 -2.788 2.417) 3.948 8.169 ( -0.912 3.009 1.081) 3.325 8.226 ( 0.437 -2.874 -0.217) 2.915 13.026 ( -4.066 -0.401 0.106) 4.087 13.044 ( -1.535 -2.509 0.170) 2.946 13.868 ( 0.166 12.875 -5.195) 13.884 14.094 ( -0.116 -11.055 -7.723) 13.486 15.779 ( -3.378 6.151 1.443) 7.164 15.870 ( -4.207 -3.142 0.105) 5.251 16.543 ( -2.658 2.195 1.678) 3.834 16.610 ( -2.545 -4.473 0.172) 5.150 17.013 ( -0.591 4.359 0.147) 4.401 17.098 ( 1.486 -4.638 -1.758) 5.178 18.531 ( 1.623 8.186 -0.363) 8.353 18.691 ( 2.908 -8.642 -2.498) 9.454 20.003 ( 0.769 0.333 0.731) 1.112 20.007 ( 1.510 -0.199 0.111) 1.527 20.328 ( -0.180 0.737 0.616) 0.977 20.341 ( 0.567 -0.653 -0.026) 0.866 21.361 ( -0.690 0.250 0.022) 0.735 21.364 ( -0.567 -0.136 0.311) 0.661 22.121 ( -2.040 4.248 2.034) 5.133 22.206 ( -2.021 -4.663 0.254) 5.088 22.973 ( 2.446 2.894 -2.085) 4.325 23.026 ( 1.504 -2.674 -2.228) 3.792 23.200 ( -0.576 0.224 1.742) 1.849 23.213 ( -0.012 -1.131 1.691) 2.034 45.632 ( -0.607 2.167 0.770) 2.378 45.664 ( 0.089 -1.099 0.047) 1.104 46.500 ( -1.352 -1.075 -1.473) 2.270 46.511 ( -1.554 -2.357 -1.206) 3.070 46.909 ( 0.328 2.053 2.057) 2.925 46.914 ( 0.763 1.577 1.806) 2.517 47.662 ( 1.004 2.155 -0.595) 2.451 47.712 ( 1.721 -2.993 -1.630) 3.817 95.615 ( 1.497 2.179 0.636) 2.719 95.664 ( 1.633 -3.019 0.403) 3.456 95.983 ( 0.557 2.138 2.389) 3.254 96.022 ( 0.197 -2.190 2.494) 3.325 96.107 ( -0.136 6.398 -2.656) 6.929 96.216 ( -0.152 -3.458 -1.963) 3.979 96.325 ( 1.238 1.853 -2.525) 3.368 96.408 ( -0.254 -5.438 -0.503) 5.467 98.548 ( -0.442 4.527 0.194) 4.553 98.625 ( 1.134 -3.503 -1.653) 4.036 99.352 ( -2.435 2.301 -0.654) 3.414 99.400 ( -5.337 -2.760 1.210) 6.129 104.732 ( -0.351 0.613 0.138) 0.720 104.738 ( -0.123 0.016 0.117) 0.170 104.864 ( -0.304 0.374 1.061) 1.165 104.873 ( 0.681 -0.571 0.504) 1.022 ======================= Grid point 130 (74/108) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -3.384 4.222 2.673) 6.035 1.247 ( -5.562 -3.709 3.035) 7.342 1.354 ( -4.167 3.462 2.976) 6.181 1.398 ( -2.106 -1.058 3.220) 3.990 1.644 ( 5.592 3.005 4.607) 7.844 1.667 ( -0.665 0.794 -0.106) 1.041 1.773 ( 5.939 -2.392 9.650) 11.581 1.845 ( -0.236 -6.706 7.255) 9.883 2.246 ( 2.721 0.589 -11.444) 11.777 2.270 ( 2.604 -1.916 -10.143) 10.646 2.553 ( -4.036 5.504 -7.033) 9.800 2.616 ( -5.451 -1.517 -7.830) 9.660 2.766 ( 2.043 2.388 -0.003) 3.142 2.803 ( 2.187 -1.430 0.951) 2.781 2.894 ( -1.986 0.808 -1.032) 2.379 2.904 ( -1.198 -0.294 -3.303) 3.526 2.941 ( 1.293 2.017 1.972) 3.103 2.985 ( 1.222 -2.022 1.162) 2.633 3.071 ( -0.305 0.216 0.531) 0.649 3.072 ( 0.339 -0.004 1.218) 1.264 3.296 ( 0.317 4.212 2.816) 5.077 3.359 ( 2.068 -1.950 2.043) 3.500 3.525 ( -1.175 3.715 1.024) 4.028 3.591 ( -0.848 -2.251 -3.001) 3.846 3.720 ( -1.516 0.387 -1.564) 2.212 3.754 ( -0.948 -3.016 1.161) 3.368 3.818 ( 0.199 2.744 -1.529) 3.148 3.856 ( -0.118 -0.764 -1.371) 1.574 3.981 ( -1.890 1.410 2.998) 3.814 4.025 ( 0.018 -3.116 3.045) 4.356 4.194 ( -0.697 4.628 -1.472) 4.906 4.286 ( 2.138 -3.594 -1.782) 4.546 4.391 ( 0.524 4.539 -0.359) 4.583 4.473 ( 0.593 -3.710 1.729) 4.135 4.553 ( -2.045 0.047 -2.256) 3.045 4.618 ( -0.490 -5.427 -0.881) 5.520 5.674 ( -2.196 1.657 0.385) 2.778 5.705 ( -0.345 -1.530 -0.480) 1.640 5.779 ( 1.195 1.350 -2.834) 3.359 5.815 ( 1.005 -2.294 -3.367) 4.196 5.892 ( -1.020 2.600 -0.886) 2.930 5.946 ( -1.397 -3.048 -0.097) 3.354 6.030 ( 1.893 3.008 0.410) 3.578 6.067 ( 0.540 -0.893 -0.610) 1.208 6.165 ( 1.834 -0.013 3.934) 4.341 6.180 ( 1.474 -1.654 4.579) 5.087 6.430 ( -2.042 2.413 -2.366) 3.949 6.478 ( -1.470 -2.713 -3.138) 4.401 6.729 ( -0.518 2.784 0.906) 2.974 6.763 ( -0.680 -0.733 0.208) 1.021 7.046 ( 0.834 1.296 1.513) 2.159 7.097 ( 1.553 -4.194 -0.254) 4.480 7.633 ( 0.344 2.566 1.226) 2.865 7.670 ( -0.446 -1.491 1.471) 2.142 7.732 ( -1.808 0.424 1.336) 2.287 7.741 ( -1.604 -0.410 -0.054) 1.656 7.839 ( -0.415 1.797 2.710) 3.278 7.873 ( -0.656 -1.746 2.130) 2.831 8.181 ( -0.080 2.646 1.451) 3.019 8.232 ( 0.543 -2.697 -0.052) 2.751 13.003 ( 0.249 1.720 0.793) 1.910 13.054 ( 1.970 -3.728 0.546) 4.251 13.764 ( -2.207 9.333 -6.408) 11.534 13.934 ( -2.994 -8.600 -10.555) 13.940 15.763 ( -1.581 4.839 1.644) 5.350 15.818 ( -2.404 -0.758 -0.301) 2.539 16.504 ( -4.198 0.757 0.651) 4.315 16.547 ( -4.619 -3.536 -0.973) 5.898 16.996 ( -1.539 4.516 0.004) 4.771 17.087 ( 0.767 -5.083 -1.951) 5.499 18.534 ( -0.249 7.473 -0.296) 7.483 18.678 ( 1.352 -7.642 -3.427) 8.484 20.026 ( 0.492 0.596 0.979) 1.247 20.038 ( 1.471 -0.604 0.648) 1.717 20.329 ( -0.708 0.834 0.495) 1.201 20.344 ( -0.097 -0.760 -0.028) 0.767 21.355 ( -0.403 0.636 0.319) 0.818 21.363 ( -0.344 -0.126 0.318) 0.485 22.138 ( -0.763 2.577 2.643) 3.769 22.199 ( -0.202 -3.754 0.579) 3.804 22.979 ( 2.194 1.768 -1.928) 3.414 23.010 ( 1.195 -1.489 -2.778) 3.371 23.217 ( -0.891 0.879 2.170) 2.505 23.241 ( 0.031 -1.585 1.968) 2.527 45.636 ( -0.482 2.279 0.857) 2.482 45.667 ( 0.254 -0.976 0.073) 1.011 46.473 ( 0.066 -0.947 -0.929) 1.329 46.491 ( 0.962 -2.716 -1.190) 3.117 46.936 ( -0.643 2.752 2.113) 3.528 46.954 ( 0.559 0.968 1.822) 2.138 47.660 ( -0.144 1.769 -0.609) 1.876 47.703 ( 0.424 -2.690 -1.813) 3.272 95.661 ( 1.811 1.880 2.013) 3.297 95.702 ( 1.481 -2.478 1.260) 3.150 96.012 ( -1.076 1.288 1.957) 2.578 96.036 ( -2.334 -0.603 1.806) 3.012 96.087 ( 1.724 5.303 -1.831) 5.870 96.201 ( 0.193 -4.945 -0.442) 4.968 96.306 ( 1.465 2.506 -3.210) 4.328 96.387 ( 0.048 -4.846 -1.927) 5.215 98.541 ( -0.856 3.998 0.253) 4.097 98.610 ( 0.260 -3.189 -1.807) 3.674 99.318 ( -0.665 1.094 -0.625) 1.425 99.337 ( -3.335 -0.925 -0.291) 3.473 104.730 ( -0.244 0.846 0.193) 0.902 104.739 ( 0.025 -0.001 0.139) 0.141 104.873 ( -0.294 0.866 0.932) 1.306 104.894 ( 1.089 -1.233 0.586) 1.746 ======================= Grid point 131 (75/108) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -12.587 4.170 5.048) 14.188 1.181 ( -10.240 -4.977 5.410) 12.605 1.311 ( -6.671 7.870 1.648) 10.447 1.404 ( -2.907 -0.180 2.141) 3.615 1.648 ( -1.680 -3.584 -0.509) 3.991 1.702 ( -3.399 -7.016 1.559) 7.950 2.007 ( 3.525 3.602 5.255) 7.281 2.052 ( 5.561 -0.563 12.776) 13.946 2.163 ( 6.185 0.142 -8.907) 10.844 2.192 ( 8.535 -2.916 -9.315) 12.966 2.324 ( -12.576 5.151 -9.352) 16.497 2.391 ( -4.134 -1.072 -4.615) 6.288 2.760 ( 0.534 1.109 -3.684) 3.884 2.778 ( 0.388 -0.918 -5.177) 5.272 2.875 ( -0.055 2.823 1.820) 3.360 2.894 ( 0.494 0.642 1.901) 2.067 2.996 ( -0.408 0.285 3.147) 3.186 3.024 ( -0.040 -2.354 2.072) 3.136 3.083 ( 0.750 0.764 -0.226) 1.094 3.098 ( 0.542 -0.636 0.402) 0.928 3.368 ( 3.990 4.017 2.919) 6.370 3.424 ( 3.699 -1.490 0.927) 4.094 3.530 ( 1.267 0.268 -0.578) 1.418 3.545 ( 1.332 -0.999 -3.553) 3.924 3.695 ( -0.857 2.201 1.214) 2.656 3.743 ( -1.130 -2.521 -0.119) 2.765 3.799 ( 0.119 1.681 -1.587) 2.315 3.833 ( 0.188 -1.803 -2.312) 2.938 4.016 ( -1.554 3.247 5.396) 6.486 4.069 ( -0.395 -0.996 2.872) 3.066 4.165 ( -2.847 3.296 2.714) 5.132 4.262 ( -0.317 -5.354 -2.291) 5.832 4.406 ( 1.516 4.606 0.239) 4.855 4.484 ( 0.455 -0.111 -4.196) 4.222 4.535 ( 2.407 -2.158 2.508) 4.092 4.610 ( 1.613 -6.019 -1.587) 6.430 5.651 ( -1.674 1.937 0.847) 2.697 5.696 ( -0.324 -2.657 -0.038) 2.677 5.760 ( 0.698 1.314 -1.601) 2.185 5.787 ( 0.988 -1.425 -2.368) 2.935 5.883 ( 0.157 2.457 -0.049) 2.462 5.929 ( -0.213 -2.335 -0.725) 2.454 6.049 ( 0.868 1.086 -0.590) 1.510 6.063 ( 0.232 -0.298 -0.757) 0.846 6.250 ( 0.303 1.565 5.705) 5.924 6.277 ( 2.334 -1.228 4.131) 4.901 6.354 ( -2.078 1.901 -3.688) 4.641 6.401 ( -1.041 -3.200 -4.796) 5.859 6.740 ( -0.388 1.999 1.167) 2.347 6.764 ( 0.117 -0.422 0.449) 0.627 7.071 ( 0.624 1.118 0.444) 1.355 7.114 ( 1.740 -3.478 -0.899) 3.992 7.645 ( -1.449 1.726 0.909) 2.430 7.674 ( -1.361 -1.120 1.013) 2.034 7.729 ( 0.419 1.126 0.939) 1.525 7.751 ( 0.942 -1.027 1.873) 2.335 7.865 ( -1.178 1.515 2.395) 3.069 7.887 ( -0.623 -0.882 1.280) 1.674 8.198 ( -0.363 1.633 1.004) 1.951 8.234 ( 0.076 -2.073 -0.558) 2.148 13.050 ( 4.041 2.631 0.813) 4.890 13.104 ( 4.786 -2.911 -1.402) 5.775 13.656 ( -3.042 3.757 -1.948) 5.212 13.743 ( -3.910 -5.113 -7.693) 10.030 15.774 ( -0.672 3.445 1.710) 3.904 15.797 ( -0.075 1.060 0.644) 1.242 16.455 ( -4.670 -0.951 2.199) 5.248 16.465 ( -5.602 -1.960 1.010) 6.020 16.974 ( -1.968 4.792 0.759) 5.236 17.071 ( 0.506 -5.413 -1.459) 5.629 18.524 ( -1.312 6.170 0.687) 6.345 18.643 ( 0.545 -6.305 -3.425) 7.196 20.036 ( -0.465 1.143 0.225) 1.254 20.059 ( 0.611 -1.253 -0.040) 1.395 20.322 ( -1.111 0.875 0.560) 1.522 20.339 ( -0.541 -0.884 0.131) 1.045 21.356 ( -0.228 0.630 0.433) 0.798 21.362 ( -0.208 0.089 0.193) 0.298 22.154 ( -1.667 1.349 1.812) 2.807 22.198 ( -0.529 -3.258 -0.535) 3.343 22.986 ( 2.052 0.089 -1.524) 2.557 22.987 ( 1.305 -0.031 -2.912) 3.191 23.229 ( -1.561 1.345 1.920) 2.817 23.262 ( -0.602 -2.042 1.280) 2.484 45.641 ( -0.315 2.315 0.765) 2.458 45.673 ( 0.415 -0.945 -0.018) 1.032 46.473 ( 1.480 -0.227 -0.694) 1.650 46.503 ( 2.723 -3.203 -1.067) 4.337 46.943 ( -1.875 3.336 1.381) 4.068 46.974 ( -0.579 0.235 0.853) 1.057 47.644 ( -1.176 1.283 -0.218) 1.755 47.678 ( -0.608 -2.203 -1.473) 2.719 95.710 ( 0.643 0.814 1.533) 1.851 95.725 ( -0.208 -0.715 -0.091) 0.750 96.010 ( -0.476 1.438 0.056) 1.516 96.029 ( -1.740 -0.369 1.947) 2.638 96.083 ( -0.619 3.568 -0.500) 3.655 96.189 ( -2.823 -6.718 0.524) 7.305 96.277 ( 1.173 4.053 -3.252) 5.327 96.365 ( 1.470 -5.071 -2.775) 5.964 98.532 ( -1.165 3.074 0.678) 3.357 98.586 ( -0.351 -2.456 -1.377) 2.837 99.305 ( -0.298 1.714 0.215) 1.753 99.326 ( 1.739 -0.626 0.683) 1.970 104.730 ( -0.158 0.967 0.214) 1.003 104.742 ( 0.087 -0.146 0.155) 0.230 104.883 ( 0.339 1.931 0.579) 2.044 104.922 ( 1.821 -2.013 0.305) 2.731 ======================= Grid point 132 (76/108) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -12.543 7.770 5.028) 15.588 1.107 ( -12.220 -4.988 7.946) 15.406 1.202 ( -13.426 6.016 5.349) 15.655 1.336 ( -9.316 -6.074 0.270) 11.125 1.588 ( -4.607 0.593 -0.247) 4.651 1.663 ( -3.815 -5.657 1.695) 7.031 1.880 ( -12.146 11.501 -8.704) 18.856 2.027 ( 1.961 -1.103 -8.396) 8.693 2.157 ( 2.215 -0.851 -2.712) 3.604 2.181 ( 3.722 -1.229 -6.611) 7.685 2.381 ( 7.196 1.025 8.921) 11.508 2.454 ( 4.215 -6.408 8.966) 11.799 2.724 ( 0.204 0.255 -1.533) 1.567 2.734 ( 0.321 -0.989 -1.401) 1.744 2.909 ( 2.211 3.202 0.359) 3.907 2.933 ( 1.612 1.116 1.252) 2.326 2.998 ( -3.062 2.092 0.673) 3.769 3.035 ( -1.594 -1.279 1.177) 2.358 3.069 ( 0.898 -0.341 -3.331) 3.466 3.095 ( -0.574 -2.875 -0.145) 2.936 3.451 ( 5.370 2.563 -4.346) 7.368 3.479 ( 4.740 -0.505 -3.174) 5.727 3.537 ( 3.279 2.129 -0.310) 3.922 3.576 ( 3.887 -1.800 1.449) 4.522 3.695 ( -1.656 0.853 0.173) 1.871 3.721 ( -1.196 -1.538 -0.480) 2.006 3.790 ( 0.422 1.971 1.323) 2.411 3.825 ( 0.964 -1.769 0.350) 2.045 4.048 ( -0.548 4.107 0.556) 4.181 4.099 ( 0.151 1.112 1.942) 2.243 4.198 ( -2.774 -0.136 5.907) 6.528 4.240 ( -1.237 -3.796 2.007) 4.469 4.419 ( 1.277 5.286 -1.859) 5.746 4.487 ( 4.034 0.875 0.661) 4.181 4.591 ( 2.480 -2.791 -0.948) 3.853 4.647 ( 5.336 -5.731 1.418) 7.958 5.647 ( -0.886 1.800 0.827) 2.170 5.691 ( -0.031 -2.655 -0.483) 2.699 5.759 ( 0.852 1.167 0.010) 1.445 5.781 ( 0.946 -0.865 -0.450) 1.359 5.889 ( -0.092 1.923 0.831) 2.097 5.920 ( 0.076 -1.277 -0.323) 1.320 6.042 ( 0.199 0.716 -1.241) 1.446 6.056 ( 0.337 -0.691 -0.647) 1.005 6.243 ( -3.072 2.381 -4.056) 5.618 6.305 ( -1.448 -4.060 -4.780) 6.437 6.337 ( 0.051 2.323 3.538) 4.232 6.377 ( 1.814 -1.915 4.107) 4.881 6.745 ( -0.336 2.130 0.537) 2.222 6.780 ( 0.359 -1.257 1.357) 1.884 7.077 ( 0.071 1.658 -0.260) 1.679 7.121 ( 1.657 -2.953 -1.722) 3.799 7.631 ( -1.152 1.343 0.432) 1.822 7.661 ( -1.303 -1.675 0.301) 2.143 7.766 ( 1.578 2.230 1.110) 2.949 7.796 ( 0.437 -1.166 2.406) 2.709 7.869 ( -1.557 1.133 1.178) 2.257 7.892 ( -0.356 -1.115 0.229) 1.192 8.193 ( -1.452 1.163 0.296) 1.884 8.220 ( -0.305 -1.673 -0.861) 1.906 13.122 ( 5.684 1.262 -1.590) 6.036 13.138 ( 5.204 -0.381 -4.212) 6.706 13.619 ( -3.375 1.137 1.877) 4.026 13.667 ( -1.720 -3.452 5.425) 6.656 15.789 ( 0.129 4.148 1.782) 4.517 15.841 ( 1.650 -0.467 3.248) 3.673 16.416 ( -5.980 -0.528 4.862) 7.726 16.440 ( -4.635 -2.563 4.955) 7.252 16.962 ( -1.994 5.077 1.723) 5.720 17.064 ( 0.586 -5.558 -0.659) 5.628 18.518 ( -2.104 3.836 2.000) 4.810 18.599 ( -0.241 -4.546 -3.071) 5.492 20.017 ( -1.340 1.567 -0.887) 2.245 20.051 ( -0.414 -1.909 -1.334) 2.366 20.311 ( -1.688 1.113 0.628) 2.117 20.333 ( -0.870 -1.163 0.406) 1.508 21.356 ( -0.419 0.764 0.177) 0.890 21.365 ( 0.166 -0.221 0.269) 0.385 22.141 ( -2.851 0.064 1.546) 3.244 22.160 ( -2.365 -2.033 -1.595) 3.503 22.967 ( 1.286 1.238 -2.718) 3.251 22.995 ( 1.400 -1.948 -1.048) 2.618 23.222 ( -2.396 1.245 1.207) 2.958 23.254 ( -1.785 -2.178 0.129) 2.819 45.649 ( 0.083 2.193 0.507) 2.253 45.679 ( 0.571 -0.955 -0.230) 1.136 46.499 ( 3.024 0.735 -0.428) 3.141 46.539 ( 3.848 -3.411 -0.803) 5.205 46.918 ( -3.170 3.725 0.465) 4.913 46.959 ( -1.922 -0.422 -0.319) 1.994 47.621 ( -1.827 0.915 0.326) 2.069 47.647 ( -1.125 -1.736 -0.858) 2.239 95.687 ( -1.875 1.333 -2.505) 3.402 95.710 ( -1.129 -1.057 -1.113) 1.905 96.000 ( -2.226 1.533 0.486) 2.747 96.033 ( -0.204 -1.789 -0.979) 2.049 96.066 ( -1.818 1.949 1.958) 3.307 96.125 ( -4.594 -4.301 -0.178) 6.296 96.260 ( 0.474 3.648 -1.208) 3.872 96.348 ( 0.297 -5.911 -1.282) 6.055 98.526 ( -1.341 2.170 1.065) 2.765 98.564 ( -0.526 -1.704 -0.723) 1.924 99.336 ( 2.880 4.448 1.278) 5.451 99.400 ( 3.962 -2.536 3.945) 6.140 104.732 ( -0.032 0.928 0.266) 0.966 104.746 ( 0.060 -0.376 0.175) 0.419 104.901 ( 1.651 3.128 -0.128) 3.539 104.953 ( 2.526 -2.360 -0.637) 3.515 ======================= Grid point 133 (77/108) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -8.165 12.889 2.154) 15.409 1.032 ( -12.612 1.080 8.112) 15.035 1.125 ( -10.205 -2.765 9.360) 14.120 1.197 ( -12.894 -5.685 7.925) 16.167 1.518 ( -3.907 2.854 -0.981) 4.937 1.619 ( -7.940 -3.266 0.318) 8.591 1.667 ( -8.473 14.652 7.028) 18.326 1.967 ( 1.386 -9.819 -3.775) 10.611 2.168 ( 7.194 -0.027 -6.205) 9.500 2.181 ( 4.441 -2.604 -1.260) 5.300 2.539 ( 1.796 -0.091 2.865) 3.383 2.568 ( -0.630 -3.275 1.556) 3.680 2.720 ( -0.067 0.323 0.634) 0.715 2.744 ( 1.249 -2.502 0.159) 2.801 2.937 ( -1.096 4.165 -1.725) 4.640 2.957 ( 1.194 2.224 -0.240) 2.536 2.979 ( 2.266 2.025 1.161) 3.253 3.010 ( -1.269 -2.818 -2.955) 4.276 3.031 ( -0.628 0.392 0.776) 1.073 3.092 ( -0.926 -3.970 1.096) 4.221 3.436 ( 4.406 2.905 -6.187) 8.132 3.484 ( 3.846 -2.291 -3.446) 5.649 3.573 ( 1.675 4.122 -1.110) 4.586 3.617 ( -0.075 -0.669 -0.276) 0.727 3.707 ( 1.159 -0.365 1.022) 1.587 3.732 ( 0.875 -2.134 3.031) 3.809 3.814 ( 0.510 2.294 -0.514) 2.406 3.850 ( 1.166 -1.431 0.712) 1.978 4.047 ( -0.061 2.353 -0.091) 2.356 4.095 ( 0.019 -1.567 -2.541) 2.986 4.228 ( -0.550 2.012 2.372) 3.159 4.272 ( -0.138 -2.081 2.501) 3.257 4.419 ( 1.619 6.345 -1.257) 6.667 4.542 ( 2.260 -5.937 -1.422) 6.510 4.631 ( 3.702 6.367 -0.146) 7.367 4.767 ( 6.200 -7.361 0.131) 9.625 5.637 ( -1.070 1.696 -0.355) 2.037 5.676 ( 0.092 -2.010 -1.596) 2.568 5.781 ( 0.365 0.678 1.384) 1.583 5.801 ( 0.771 -0.978 1.161) 1.703 5.905 ( -1.015 1.453 1.764) 2.500 5.924 ( -0.132 -0.700 0.923) 1.166 6.032 ( 0.857 1.169 -0.416) 1.508 6.057 ( 0.777 -1.262 -0.355) 1.524 6.148 ( -1.495 2.064 -2.913) 3.871 6.200 ( -1.923 -3.265 -4.345) 5.765 6.397 ( -0.238 2.978 4.710) 5.578 6.454 ( 0.495 -3.039 4.209) 5.215 6.753 ( 0.057 3.322 1.000) 3.470 6.809 ( 0.230 -2.362 1.770) 2.960 7.069 ( -0.410 1.951 -0.408) 2.035 7.115 ( 1.509 -2.729 -2.332) 3.894 7.623 ( -0.555 1.228 -0.103) 1.352 7.649 ( -0.821 -1.603 0.331) 1.831 7.790 ( 0.790 2.576 -0.761) 2.800 7.826 ( 0.115 -1.277 0.979) 1.613 7.857 ( -1.265 0.384 0.465) 1.401 7.879 ( -1.739 -1.859 0.729) 2.647 8.175 ( -1.445 1.661 0.714) 2.315 8.210 ( 0.119 -1.982 -0.150) 1.992 13.164 ( 5.300 0.958 -2.260) 5.841 13.190 ( 6.279 -1.781 -0.015) 6.527 13.643 ( -2.133 5.777 6.318) 8.823 13.763 ( -1.927 -6.596 9.506) 11.730 15.837 ( 1.274 5.527 3.450) 6.639 15.931 ( 2.692 -3.068 4.630) 6.172 16.414 ( -6.789 -1.168 7.384) 10.098 16.448 ( -6.040 -3.449 6.677) 9.642 16.963 ( -1.791 5.593 2.451) 6.363 17.073 ( 1.031 -5.730 0.259) 5.828 18.505 ( -3.884 0.611 1.571) 4.234 18.549 ( -0.858 -3.438 -2.730) 4.473 19.980 ( -1.239 1.666 -1.145) 2.372 20.016 ( -0.814 -2.136 -1.751) 2.880 20.288 ( -2.342 1.980 0.533) 3.113 20.324 ( -1.071 -1.795 0.450) 2.138 21.353 ( -0.301 1.020 0.458) 1.157 21.373 ( 0.326 -0.999 0.318) 1.098 22.113 ( -2.225 0.807 1.669) 2.896 22.134 ( -2.556 -1.308 3.817) 4.776 22.948 ( 1.217 1.774 -2.527) 3.319 22.989 ( -0.419 -3.039 -1.094) 3.257 23.197 ( -2.754 0.492 0.957) 2.957 23.219 ( -2.343 -1.799 -0.182) 2.960 45.657 ( 0.532 1.767 0.023) 1.845 45.682 ( 0.586 -0.828 -0.598) 1.178 46.552 ( 4.348 1.542 0.011) 4.614 46.598 ( 5.021 -3.227 -0.113) 5.970 46.868 ( -3.777 3.793 0.144) 5.355 46.914 ( -2.907 -0.891 -0.553) 3.090 47.600 ( -1.941 0.795 0.669) 2.202 47.622 ( -1.085 -1.429 -0.386) 1.836 95.621 ( -1.476 1.713 -2.368) 3.274 95.658 ( -1.593 -2.239 -2.333) 3.605 95.948 ( -5.421 0.041 -1.904) 5.746 95.954 ( -4.496 -0.557 0.371) 4.545 96.089 ( -0.313 1.354 2.824) 3.147 96.115 ( -0.339 -1.292 2.808) 3.109 96.251 ( 0.013 3.783 -0.361) 3.800 96.351 ( -0.665 -7.328 2.320) 7.716 98.521 ( -1.482 1.662 1.195) 2.528 98.550 ( -0.458 -1.294 -0.160) 1.382 99.410 ( 3.650 7.745 1.462) 8.686 99.546 ( 5.393 -7.148 5.614) 10.568 104.737 ( 0.056 0.727 0.311) 0.793 104.749 ( -0.032 -0.484 0.189) 0.520 104.924 ( 2.906 3.384 -1.879) 4.840 104.971 ( 2.397 -1.802 -2.340) 3.804 ======================= Grid point 134 (78/108) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.527 12.952 9.726) 16.206 1.019 ( -2.440 6.629 7.978) 10.656 1.151 ( -4.632 -3.936 10.584) 12.205 1.211 ( -8.792 -3.469 14.563) 17.361 1.451 ( -2.294 2.354 -1.174) 3.491 1.559 ( -5.916 -5.082 6.679) 10.268 1.715 ( -5.838 11.051 13.827) 18.639 1.968 ( 1.589 -10.610 0.923) 10.768 2.202 ( 6.291 1.802 -4.420) 7.897 2.242 ( 4.832 -3.000 -1.130) 5.799 2.508 ( -3.607 0.873 -2.893) 4.706 2.542 ( -0.839 -3.264 -2.628) 4.274 2.729 ( 0.605 -0.028 -0.777) 0.985 2.738 ( -0.338 -0.960 -1.918) 2.172 2.863 ( -2.567 2.138 -3.135) 4.581 2.908 ( -2.883 -2.030 -3.901) 5.258 3.001 ( -0.154 5.643 0.263) 5.651 3.020 ( 1.038 2.477 1.143) 2.918 3.074 ( 2.087 -2.632 2.723) 4.324 3.105 ( 1.113 -4.797 1.369) 5.111 3.429 ( 3.711 4.174 -3.756) 6.731 3.503 ( 2.179 -3.771 -1.148) 4.504 3.578 ( 0.689 2.978 -0.046) 3.057 3.607 ( -0.257 -0.678 -0.317) 0.791 3.741 ( 0.748 1.553 1.186) 2.092 3.759 ( -2.132 0.888 2.081) 3.108 3.810 ( 1.818 0.216 -1.589) 2.424 3.873 ( 2.132 -4.494 -0.931) 5.060 4.025 ( -1.023 0.570 -3.490) 3.681 4.034 ( -1.602 -0.543 -3.203) 3.622 4.249 ( 1.745 2.875 -0.949) 3.494 4.297 ( 1.369 -2.029 -0.303) 2.466 4.420 ( 0.158 5.439 -0.720) 5.489 4.530 ( 0.464 -5.850 -2.959) 6.572 4.629 ( -0.955 6.685 -3.449) 7.583 4.748 ( -1.385 -5.520 -7.368) 9.310 5.610 ( -1.296 2.223 -0.555) 2.632 5.661 ( 0.238 -2.925 -0.546) 2.985 5.800 ( -0.364 0.930 0.951) 1.379 5.819 ( -0.550 -0.808 1.185) 1.536 5.885 ( -1.579 1.735 -0.397) 2.379 5.912 ( -1.914 -0.891 -0.813) 2.262 6.054 ( 0.399 -0.653 -1.305) 1.512 6.064 ( 1.102 -1.219 -0.709) 1.790 6.159 ( 2.041 2.014 2.894) 4.074 6.201 ( 3.932 -2.368 3.674) 5.879 6.472 ( 1.345 2.731 5.036) 5.885 6.520 ( 0.504 -2.664 4.453) 5.213 6.769 ( -0.560 3.213 1.356) 3.532 6.825 ( -1.263 -2.529 1.316) 3.118 7.059 ( 0.144 1.547 -0.665) 1.690 7.101 ( 1.443 -2.537 -2.823) 4.060 7.609 ( -0.312 1.757 -0.705) 1.919 7.643 ( -0.669 -1.991 0.142) 2.105 7.767 ( -0.918 2.115 -1.514) 2.758 7.807 ( -0.561 -1.930 -2.205) 2.984 7.862 ( -0.871 0.644 1.998) 2.273 7.884 ( -0.622 -1.566 1.791) 2.459 8.175 ( -0.590 2.089 1.369) 2.567 8.218 ( 0.526 -2.365 0.395) 2.455 13.232 ( 5.842 3.634 -0.023) 6.880 13.322 ( 7.716 -5.784 2.278) 9.909 13.698 ( -2.743 5.618 6.092) 8.729 13.830 ( -5.182 -7.590 6.604) 11.317 15.921 ( 2.174 6.567 4.707) 8.367 16.037 ( 2.982 -3.424 3.957) 6.023 16.386 ( -10.203 -2.342 5.589) 11.867 16.421 ( -9.828 -4.152 5.372) 11.946 16.977 ( -1.525 6.315 2.835) 7.088 17.097 ( 1.121 -6.050 0.429) 6.168 18.442 ( -5.104 0.459 -0.251) 5.130 18.492 ( -0.650 -4.022 -3.458) 5.344 19.962 ( 0.139 1.533 -0.173) 1.549 19.994 ( 0.364 -1.850 -0.669) 2.001 20.266 ( -1.617 2.799 1.015) 3.388 20.316 ( -0.734 -2.432 0.420) 2.575 21.363 ( 0.084 1.051 1.194) 1.593 21.386 ( 0.529 -1.374 0.756) 1.655 22.178 ( 0.108 0.187 7.098) 7.101 22.190 ( 1.590 -0.927 7.214) 7.445 22.936 ( 1.761 1.174 -2.220) 3.067 22.956 ( -1.325 -1.421 -1.120) 2.243 23.171 ( -2.395 0.047 1.121) 2.645 23.192 ( -1.431 -2.016 0.422) 2.508 45.661 ( 0.272 1.351 -0.432) 1.444 45.679 ( 0.397 -0.597 -0.736) 1.027 46.624 ( 4.523 2.228 0.665) 5.086 46.676 ( 4.804 -3.044 -0.006) 5.687 46.816 ( -3.456 3.625 0.363) 5.021 46.867 ( -2.739 -1.811 0.130) 3.286 47.585 ( -1.386 0.897 0.745) 1.811 47.606 ( -0.385 -1.339 -0.166) 1.403 95.598 ( 1.124 1.574 -0.203) 1.944 95.631 ( 0.709 -1.856 -0.310) 2.011 95.864 ( -3.996 2.564 0.865) 4.826 95.907 ( -3.262 -2.051 1.077) 4.001 96.130 ( 0.076 1.815 3.087) 3.581 96.161 ( -0.048 -1.548 3.926) 4.221 96.255 ( 0.304 5.031 0.649) 5.081 96.388 ( 0.334 -9.474 2.873) 9.905 98.516 ( -1.511 1.738 1.286) 2.637 98.546 ( -0.203 -1.335 0.324) 1.388 99.467 ( 1.391 10.008 0.951) 10.149 99.666 ( 2.056 -11.752 1.800) 12.066 104.742 ( -0.014 0.478 0.321) 0.576 104.750 ( -0.157 -0.378 0.194) 0.453 104.919 ( 1.784 3.055 -3.985) 5.329 104.957 ( 1.615 -1.284 -3.624) 4.170 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.397 0.000 13.901) 13.971 1.179 ( -1.319 0.000 -8.712) 8.811 1.401 ( 7.821 0.000 20.095) 21.564 1.548 ( -3.630 0.000 9.709) 10.365 1.778 ( 3.347 0.000 -12.423) 12.866 1.783 ( -5.189 0.000 -16.541) 17.336 1.806 ( 9.014 0.000 10.838) 14.097 2.036 ( -8.581 0.000 -11.259) 14.156 2.155 ( -5.375 0.000 12.294) 13.418 2.258 ( -6.466 0.000 19.335) 20.388 2.338 ( 5.976 0.000 -5.303) 7.990 2.504 ( 5.129 0.000 -7.788) 9.325 2.607 ( 1.351 0.000 2.517) 2.857 2.647 ( -1.528 0.000 -2.679) 3.084 2.794 ( 0.789 0.000 -1.626) 1.807 2.819 ( -2.303 0.000 -2.423) 3.343 2.972 ( -1.643 0.000 1.894) 2.507 2.997 ( 0.826 0.000 0.755) 1.119 3.180 ( 0.077 0.000 -1.286) 1.288 3.182 ( 1.516 0.000 -1.569) 2.182 3.343 ( -0.760 0.000 3.911) 3.984 3.458 ( 2.111 0.000 -6.667) 6.994 3.517 ( -2.965 0.000 -0.231) 2.974 3.524 ( 0.440 0.000 -0.903) 1.004 3.754 ( -4.329 0.000 2.742) 5.124 3.780 ( 0.557 0.000 1.557) 1.654 3.825 ( 1.529 0.000 1.075) 1.869 3.895 ( 1.382 0.000 -4.108) 4.334 3.991 ( -2.058 0.000 3.306) 3.894 4.083 ( 4.410 0.000 -5.366) 6.946 4.140 ( 0.035 0.000 2.384) 2.385 4.195 ( -1.239 0.000 -2.632) 2.909 4.432 ( -7.225 0.000 2.669) 7.703 4.456 ( 2.309 0.000 1.133) 2.572 4.542 ( 0.893 0.000 -3.484) 3.597 4.558 ( 3.101 0.000 -3.752) 4.868 5.578 ( -1.330 0.000 4.029) 4.243 5.683 ( 0.343 0.000 -5.683) 5.693 5.770 ( 1.201 0.000 3.557) 3.754 5.841 ( -1.671 0.000 -1.579) 2.299 5.874 ( -0.014 0.000 0.027) 0.030 5.895 ( 1.549 0.000 -0.659) 1.683 6.062 ( -2.257 0.000 1.955) 2.986 6.096 ( -0.261 0.000 -0.678) 0.727 6.285 ( 1.954 0.000 2.901) 3.498 6.324 ( -1.580 0.000 -0.615) 1.696 6.603 ( 5.181 0.000 1.793) 5.482 6.629 ( -3.625 0.000 -0.481) 3.657 6.801 ( 1.847 0.000 3.746) 4.176 6.866 ( -2.889 0.000 -1.017) 3.063 7.007 ( 2.814 0.000 -2.197) 3.570 7.024 ( -1.361 0.000 -2.404) 2.762 7.576 ( 1.922 0.000 1.656) 2.537 7.624 ( -2.455 0.000 -2.628) 3.596 7.727 ( 0.293 0.000 0.825) 0.876 7.750 ( -0.273 0.000 -1.413) 1.439 7.889 ( -2.826 0.000 0.184) 2.832 7.890 ( 1.679 0.000 -0.280) 1.702 8.220 ( -1.856 0.000 2.782) 3.344 8.267 ( 1.912 0.000 -1.731) 2.579 13.208 ( 0.549 0.000 3.406) 3.450 13.299 ( -0.289 0.000 -4.971) 4.980 14.020 ( -13.744 0.000 2.186) 13.917 14.035 ( 13.110 0.000 0.348) 13.115 15.966 ( -7.343 0.000 1.104) 7.426 15.972 ( 8.505 0.000 0.548) 8.522 16.445 ( -9.830 0.000 2.714) 10.198 16.498 ( 2.123 0.000 -2.290) 3.123 16.958 ( -4.789 0.000 5.223) 7.087 17.067 ( 4.755 0.000 -5.213) 7.056 18.412 ( -10.192 0.000 2.423) 10.476 18.479 ( 8.532 0.000 -3.928) 9.392 19.948 ( -0.394 0.000 0.761) 0.857 19.972 ( 0.953 0.000 -1.620) 1.879 20.299 ( -0.620 0.000 2.481) 2.557 20.343 ( 0.786 0.000 -1.740) 1.909 21.413 ( -0.472 0.000 1.746) 1.809 21.437 ( 0.443 0.000 -0.591) 0.739 22.345 ( -8.206 0.000 6.260) 10.321 22.456 ( 10.604 0.000 -4.482) 11.512 22.908 ( 4.966 0.000 -0.262) 4.973 22.915 ( -5.754 0.000 -0.928) 5.828 23.234 ( 0.097 0.000 1.306) 1.309 23.251 ( -0.588 0.000 -0.384) 0.703 45.634 ( -1.559 0.000 1.615) 2.245 45.665 ( 1.564 0.000 -1.396) 2.096 46.683 ( -1.184 0.000 1.592) 1.984 46.707 ( 0.458 0.000 -0.665) 0.807 46.792 ( 1.340 0.000 3.092) 3.370 46.859 ( 0.014 0.000 -3.308) 3.308 47.594 ( -2.463 0.000 1.578) 2.925 47.623 ( 2.466 0.000 -1.206) 2.745 95.616 ( 2.603 0.000 0.346) 2.625 95.627 ( -1.452 0.000 -0.780) 1.648 95.873 ( 0.635 0.000 2.575) 2.652 95.916 ( -0.670 0.000 -1.494) 1.638 96.138 ( -2.481 0.000 1.799) 3.065 96.166 ( 2.100 0.000 -0.901) 2.285 96.437 ( -1.933 0.000 8.071) 8.299 96.607 ( 2.626 0.000 -8.267) 8.674 98.503 ( -3.184 0.000 1.927) 3.722 98.541 ( 3.340 0.000 -1.689) 3.743 99.477 ( 0.016 0.000 10.476) 10.476 99.706 ( -2.313 0.000 -11.464) 11.695 104.749 ( 0.068 0.000 0.305) 0.313 104.751 ( 0.227 0.000 0.094) 0.246 104.803 ( -0.798 0.000 1.929) 2.087 104.860 ( 0.868 0.000 -3.595) 3.698 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.337 0.000 -12.220) 12.293 1.149 ( 3.160 0.000 10.235) 10.711 1.389 ( -10.038 0.000 -20.156) 22.517 1.625 ( -6.466 0.000 11.657) 13.330 1.639 ( -0.647 0.000 -10.203) 10.223 1.706 ( -1.785 0.000 15.510) 15.612 1.765 ( -4.704 0.000 -9.925) 10.984 2.044 ( 0.126 0.000 8.491) 8.492 2.279 ( 3.866 0.000 9.855) 10.586 2.337 ( 8.365 0.000 -10.834) 13.688 2.419 ( 2.119 0.000 6.478) 6.816 2.471 ( 7.271 0.000 -10.933) 13.130 2.613 ( 0.777 0.000 -0.439) 0.893 2.689 ( 5.009 0.000 -0.402) 5.026 2.762 ( -2.060 0.000 1.372) 2.475 2.828 ( 1.754 0.000 3.868) 4.247 2.976 ( -1.071 0.000 1.814) 2.107 2.983 ( -1.991 0.000 -1.560) 2.529 3.140 ( -3.672 0.000 -0.374) 3.691 3.174 ( -0.101 0.000 -0.895) 0.900 3.355 ( -2.118 0.000 -2.883) 3.578 3.363 ( -5.387 0.000 3.347) 6.342 3.501 ( -1.060 0.000 2.632) 2.837 3.568 ( 3.548 0.000 -0.103) 3.549 3.735 ( -3.290 0.000 2.881) 4.373 3.808 ( 0.813 0.000 -0.032) 0.814 3.852 ( 1.238 0.000 -4.955) 5.107 3.873 ( 1.509 0.000 2.670) 3.067 4.011 ( -1.267 0.000 3.158) 3.402 4.069 ( 4.307 0.000 -5.584) 7.052 4.145 ( -1.231 0.000 -1.633) 2.045 4.177 ( -1.298 0.000 3.536) 3.767 4.373 ( -5.039 0.000 2.011) 5.426 4.490 ( -1.432 0.000 4.763) 4.974 4.566 ( 7.463 0.000 -2.722) 7.944 4.587 ( 4.584 0.000 -1.603) 4.856 5.629 ( 2.032 0.000 -3.964) 4.455 5.637 ( -0.720 0.000 5.822) 5.867 5.779 ( -0.847 0.000 -3.558) 3.658 5.838 ( 0.796 0.000 3.475) 3.565 5.876 ( -0.486 0.000 0.332) 0.588 5.899 ( 1.821 0.000 -2.177) 2.838 6.078 ( -0.729 0.000 3.540) 3.615 6.093 ( 0.661 0.000 -0.366) 0.756 6.274 ( -2.199 0.000 -2.598) 3.404 6.339 ( 1.285 0.000 1.137) 1.716 6.522 ( -7.406 0.000 -2.929) 7.964 6.657 ( 0.538 0.000 0.601) 0.806 6.785 ( -3.493 0.000 -3.016) 4.615 6.883 ( 1.398 0.000 3.694) 3.949 6.978 ( -0.841 0.000 -1.666) 1.866 7.052 ( 3.763 0.000 0.897) 3.868 7.558 ( -2.051 0.000 -1.651) 2.633 7.634 ( 1.419 0.000 2.801) 3.140 7.727 ( -0.474 0.000 -1.081) 1.180 7.745 ( 0.053 0.000 1.184) 1.185 7.850 ( -3.017 0.000 0.633) 3.082 7.916 ( 0.907 0.000 1.051) 1.388 8.220 ( -2.770 0.000 2.055) 3.449 8.263 ( 1.539 0.000 -2.460) 2.902 13.224 ( -0.539 0.000 -4.271) 4.305 13.264 ( -1.062 0.000 4.488) 4.612 13.830 ( -13.714 0.000 0.559) 13.726 14.214 ( 10.693 0.000 -0.714) 10.717 15.849 ( -8.161 0.000 0.271) 8.166 16.068 ( 4.289 0.000 -3.013) 5.241 16.409 ( -4.014 0.000 9.021) 9.874 16.571 ( 6.218 0.000 1.460) 6.387 16.964 ( -4.325 0.000 5.239) 6.794 17.067 ( 5.125 0.000 -5.204) 7.304 18.350 ( -4.934 0.000 4.126) 6.432 18.590 ( 11.283 0.000 -1.531) 11.387 19.956 ( -0.121 0.000 0.975) 0.982 19.967 ( 1.183 0.000 -1.472) 1.889 20.318 ( -0.918 0.000 1.947) 2.152 20.326 ( 0.802 0.000 -2.361) 2.494 21.418 ( -1.399 0.000 0.926) 1.678 21.422 ( -0.634 0.000 -1.252) 1.404 22.271 ( -10.365 0.000 3.220) 10.854 22.483 ( 3.594 0.000 -6.388) 7.330 22.844 ( -2.466 0.000 -0.081) 2.468 22.985 ( 4.389 0.000 0.988) 4.499 23.235 ( -0.498 0.000 -0.564) 0.752 23.251 ( -0.172 0.000 0.921) 0.937 45.629 ( -1.897 0.000 1.445) 2.385 45.665 ( 1.194 0.000 -1.524) 1.936 46.687 ( -1.104 0.000 1.385) 1.771 46.699 ( -0.240 0.000 -0.851) 0.884 46.793 ( -1.435 0.000 -3.765) 4.029 46.836 ( -0.768 0.000 2.191) 2.322 47.590 ( -0.768 0.000 1.306) 1.515 47.653 ( 3.951 0.000 -1.485) 4.221 95.592 ( -1.422 0.000 -1.129) 1.816 95.655 ( 2.501 0.000 -0.246) 2.513 95.886 ( 0.235 0.000 -2.223) 2.236 95.921 ( 1.456 0.000 1.905) 2.398 96.119 ( -2.906 0.000 1.550) 3.294 96.173 ( 0.732 0.000 -1.235) 1.436 96.519 ( 1.553 0.000 -8.441) 8.583 96.521 ( -1.756 0.000 7.549) 7.751 98.485 ( -2.649 0.000 1.739) 3.169 98.569 ( 3.997 0.000 -2.076) 4.504 99.516 ( -3.143 0.000 -8.882) 9.422 99.622 ( -2.788 0.000 12.109) 12.426 104.747 ( -0.455 0.000 -0.303) 0.547 104.747 ( -0.328 0.000 -0.245) 0.410 104.831 ( -0.307 0.000 2.779) 2.796 104.833 ( 1.268 0.000 -2.233) 2.568 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.447 0.000 -11.844) 13.037 1.003 ( -2.456 0.000 -16.498) 16.680 1.318 ( 3.584 0.000 5.920) 6.921 1.479 ( -2.359 0.000 -6.938) 7.328 1.658 ( 3.647 0.000 -5.330) 6.459 1.660 ( -10.153 0.000 10.590) 14.671 1.801 ( -8.597 0.000 9.280) 12.650 2.076 ( -5.038 0.000 5.054) 7.136 2.284 ( 8.424 0.000 -14.038) 16.372 2.392 ( 8.679 0.000 -17.038) 19.121 2.494 ( 6.425 0.000 3.307) 7.226 2.520 ( 1.509 0.000 7.707) 7.853 2.654 ( 3.137 0.000 1.287) 3.391 2.711 ( 1.068 0.000 0.225) 1.092 2.826 ( 2.735 0.000 3.095) 4.130 2.911 ( 3.525 0.000 0.470) 3.556 2.913 ( -4.486 0.000 -0.229) 4.492 2.974 ( 0.649 0.000 -2.545) 2.626 3.107 ( -3.689 0.000 5.085) 6.282 3.146 ( -1.144 0.000 -1.912) 2.228 3.306 ( -7.010 0.000 3.247) 7.725 3.324 ( -0.859 0.000 -0.167) 0.875 3.520 ( -2.374 0.000 2.971) 3.803 3.609 ( 2.327 0.000 -0.574) 2.397 3.737 ( -2.375 0.000 2.921) 3.765 3.796 ( 0.323 0.000 -2.017) 2.043 3.807 ( 1.914 0.000 -3.760) 4.219 3.926 ( -0.630 0.000 2.134) 2.225 4.037 ( 0.547 0.000 1.017) 1.155 4.048 ( 3.547 0.000 -5.356) 6.424 4.123 ( -1.437 0.000 1.772) 2.282 4.208 ( -3.014 0.000 5.676) 6.427 4.335 ( -3.141 0.000 1.018) 3.302 4.589 ( 0.629 0.000 9.051) 9.073 4.621 ( 2.985 0.000 -2.097) 3.647 4.641 ( 6.940 0.000 -2.773) 7.474 5.640 ( 4.291 0.000 -1.135) 4.439 5.696 ( -1.726 0.000 3.525) 3.925 5.733 ( -0.087 0.000 -0.740) 0.745 5.867 ( -0.341 0.000 -0.641) 0.726 5.878 ( -0.290 0.000 1.443) 1.472 5.894 ( 2.483 0.000 -2.995) 3.891 6.099 ( 0.095 0.000 0.099) 0.138 6.134 ( 0.725 0.000 2.735) 2.829 6.199 ( -1.874 0.000 -1.661) 2.504 6.338 ( -8.842 0.000 -5.263) 10.289 6.360 ( 0.969 0.000 -0.301) 1.015 6.655 ( -0.619 0.000 -0.528) 0.813 6.691 ( -3.663 0.000 -2.258) 4.303 6.900 ( -0.609 0.000 -2.435) 2.510 6.984 ( -1.210 0.000 4.733) 4.885 7.124 ( 3.912 0.000 0.478) 3.941 7.521 ( -1.098 0.000 -0.154) 1.109 7.694 ( 0.316 0.000 3.596) 3.610 7.708 ( -0.378 0.000 -0.538) 0.658 7.762 ( -0.181 0.000 1.460) 1.471 7.822 ( -2.792 0.000 1.558) 3.197 7.940 ( 0.221 0.000 1.023) 1.046 8.198 ( -3.687 0.000 1.836) 4.119 8.248 ( 1.767 0.000 -2.786) 3.299 13.171 ( 0.173 0.000 -2.845) 2.851 13.281 ( -5.357 0.000 3.533) 6.417 13.644 ( -9.630 0.000 -1.138) 9.697 14.311 ( 6.332 0.000 -4.376) 7.697 15.750 ( -6.110 0.000 0.852) 6.169 16.022 ( -1.852 0.000 -4.159) 4.553 16.536 ( -0.589 0.000 9.994) 10.012 16.672 ( 4.933 0.000 -0.075) 4.933 16.978 ( -3.615 0.000 5.034) 6.198 17.074 ( 5.927 0.000 -5.252) 7.919 18.366 ( -1.938 0.000 4.799) 5.176 18.748 ( 8.964 0.000 0.859) 9.005 19.963 ( 1.211 0.000 -1.534) 1.954 19.973 ( 0.141 0.000 1.530) 1.536 20.309 ( 1.798 0.000 -2.388) 2.989 20.328 ( -0.965 0.000 1.542) 1.819 21.390 ( -0.837 0.000 -1.400) 1.631 21.402 ( -1.707 0.000 0.302) 1.733 22.150 ( -8.236 0.000 0.614) 8.259 22.409 ( -1.220 0.000 -5.304) 5.443 22.834 ( 1.159 0.000 -0.475) 1.252 23.057 ( 2.200 0.000 1.895) 2.903 23.225 ( 0.133 0.000 -0.219) 0.256 23.251 ( -0.999 0.000 0.300) 1.043 45.620 ( -2.047 0.000 1.423) 2.493 45.658 ( 0.987 0.000 -1.636) 1.911 46.653 ( -2.493 0.000 -2.744) 3.708 46.686 ( -1.167 0.000 0.605) 1.314 46.751 ( 0.856 0.000 -0.850) 1.206 46.837 ( -1.985 0.000 1.466) 2.467 47.605 ( 0.365 0.000 1.149) 1.206 47.691 ( 4.391 0.000 -2.112) 4.872 95.560 ( -0.593 0.000 -0.845) 1.033 95.688 ( 2.577 0.000 -0.157) 2.582 95.864 ( 0.971 0.000 -1.900) 2.134 95.964 ( 1.484 0.000 0.774) 1.673 96.108 ( -1.884 0.000 2.464) 3.101 96.156 ( -0.051 0.000 -1.622) 1.623 96.420 ( 0.977 0.000 -7.996) 8.056 96.589 ( -2.102 0.000 5.666) 6.044 98.474 ( -2.111 0.000 1.755) 2.746 98.597 ( 4.182 0.000 -2.724) 4.991 99.371 ( -1.809 0.000 -6.284) 6.539 99.704 ( -8.186 0.000 9.914) 12.857 104.729 ( -0.658 0.000 -0.782) 1.022 104.738 ( -0.317 0.000 -0.353) 0.475 104.836 ( 1.757 0.000 -0.780) 1.922 104.866 ( -0.636 0.000 3.050) 3.115 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 9.575 0.000 -6.710) 11.692 0.959 ( 13.949 0.000 -0.601) 13.962 1.387 ( -1.739 0.000 0.176) 1.747 1.452 ( 5.867 0.000 1.211) 5.991 1.623 ( -12.239 0.000 7.932) 14.584 1.691 ( 7.927 0.000 -2.945) 8.457 1.748 ( -12.655 0.000 7.605) 14.764 2.077 ( -3.761 0.000 4.105) 5.568 2.200 ( 7.602 0.000 -14.365) 16.252 2.267 ( 9.271 0.000 -18.790) 20.953 2.562 ( -0.177 0.000 -1.082) 1.096 2.624 ( 0.631 0.000 4.325) 4.371 2.729 ( 2.022 0.000 3.071) 3.677 2.739 ( -0.335 0.000 2.609) 2.630 2.845 ( 0.497 0.000 -2.487) 2.537 2.906 ( 0.221 0.000 -3.517) 3.524 2.918 ( -0.156 0.000 4.651) 4.654 2.989 ( 3.487 0.000 -1.281) 3.715 3.096 ( -1.738 0.000 -1.038) 2.024 3.127 ( -3.027 0.000 3.074) 4.314 3.267 ( -5.937 0.000 4.950) 7.730 3.288 ( -0.902 0.000 -2.314) 2.484 3.522 ( -1.934 0.000 2.318) 3.019 3.616 ( 0.079 0.000 -0.715) 0.719 3.739 ( -0.635 0.000 0.710) 0.953 3.784 ( 0.955 0.000 -0.694) 1.181 3.808 ( 2.128 0.000 -1.373) 2.532 3.879 ( -3.822 0.000 -3.579) 5.236 4.045 ( 4.448 0.000 -3.085) 5.413 4.058 ( 0.569 0.000 -0.030) 0.569 4.144 ( -1.493 0.000 3.755) 4.041 4.247 ( -4.727 0.000 7.745) 9.074 4.304 ( -1.249 0.000 -0.672) 1.419 4.616 ( 1.068 0.000 -2.448) 2.671 4.670 ( 4.883 0.000 -5.625) 7.449 4.715 ( -2.623 0.000 8.811) 9.193 5.689 ( 0.572 0.000 -1.069) 1.212 5.715 ( 5.128 0.000 1.154) 5.256 5.746 ( -3.539 0.000 4.087) 5.407 5.852 ( 0.248 0.000 -1.191) 1.217 5.868 ( -1.159 0.000 -1.097) 1.596 5.884 ( 2.603 0.000 -4.474) 5.176 6.095 ( -0.909 0.000 0.207) 0.932 6.109 ( -2.486 0.000 -1.379) 2.843 6.151 ( -3.689 0.000 -4.185) 5.579 6.245 ( 0.942 0.000 4.383) 4.483 6.364 ( 1.001 0.000 -1.006) 1.419 6.621 ( -0.684 0.000 -3.265) 3.336 6.624 ( -2.394 0.000 -0.303) 2.414 6.839 ( -2.526 0.000 -2.249) 3.382 7.035 ( -1.291 0.000 4.981) 5.145 7.171 ( 3.334 0.000 -1.618) 3.706 7.519 ( -0.466 0.000 1.418) 1.493 7.704 ( 0.271 0.000 0.243) 0.363 7.736 ( -0.169 0.000 1.676) 1.684 7.784 ( -0.978 0.000 2.945) 3.103 7.811 ( -2.488 0.000 2.537) 3.553 7.947 ( -0.427 0.000 0.043) 0.429 8.169 ( -3.569 0.000 2.178) 4.181 8.244 ( 2.377 0.000 -2.136) 3.196 13.143 ( 0.771 0.000 -2.378) 2.500 13.185 ( -9.618 0.000 -0.358) 9.624 13.545 ( -2.284 0.000 -0.128) 2.288 14.265 ( 1.036 0.000 -9.778) 9.833 15.688 ( -4.156 0.000 1.159) 4.315 15.918 ( -3.846 0.000 -4.238) 5.723 16.610 ( -3.211 0.000 4.148) 5.245 16.703 ( 1.922 0.000 -2.672) 3.291 16.991 ( -3.758 0.000 4.404) 5.789 17.094 ( 6.297 0.000 -5.260) 8.205 18.413 ( -1.790 0.000 5.459) 5.745 18.828 ( 2.564 0.000 -2.582) 3.639 19.971 ( 2.279 0.000 -0.492) 2.331 20.002 ( 0.188 0.000 2.093) 2.102 20.317 ( 2.613 0.000 -1.368) 2.950 20.334 ( -0.944 0.000 1.180) 1.511 21.362 ( -0.566 0.000 -1.060) 1.202 21.381 ( -1.280 0.000 -0.012) 1.280 22.087 ( -1.990 0.000 2.169) 2.944 22.324 ( -1.355 0.000 -3.433) 3.690 22.854 ( 2.321 0.000 -0.500) 2.374 23.090 ( -1.187 0.000 1.031) 1.572 23.236 ( 1.118 0.000 0.370) 1.178 23.237 ( -1.054 0.000 0.545) 1.187 45.611 ( -1.965 0.000 1.600) 2.534 45.649 ( 1.033 0.000 -1.686) 1.977 46.582 ( -1.591 0.000 -2.209) 2.722 46.663 ( -1.886 0.000 -0.601) 1.980 46.776 ( 1.977 0.000 0.904) 2.174 46.835 ( -0.988 0.000 1.761) 2.020 47.629 ( 0.548 0.000 1.102) 1.231 47.719 ( 3.735 0.000 -2.732) 4.628 95.560 ( 0.968 0.000 0.735) 1.215 95.728 ( 2.595 0.000 0.072) 2.596 95.874 ( 1.665 0.000 0.857) 1.873 95.986 ( 0.681 0.000 0.318) 0.752 96.132 ( 0.243 0.000 -1.871) 1.887 96.135 ( -0.543 0.000 3.451) 3.494 96.332 ( 2.198 0.000 -7.222) 7.549 96.606 ( -3.668 0.000 2.491) 4.434 98.472 ( -1.684 0.000 2.027) 2.635 98.613 ( 3.650 0.000 -3.476) 5.040 99.285 ( 0.005 0.000 -3.988) 3.988 99.644 ( -11.805 0.000 3.217) 12.236 104.711 ( -0.388 0.000 -0.520) 0.649 104.728 ( -0.183 0.000 -0.456) 0.491 104.858 ( 2.047 0.000 -0.223) 2.059 104.895 ( -1.343 0.000 2.941) 3.233 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 10.725 0.000 -0.399) 10.732 1.313 ( 17.693 0.000 11.549) 21.129 1.344 ( -3.749 0.000 -0.856) 3.846 1.531 ( -14.202 0.000 7.846) 16.225 1.595 ( 9.982 0.000 1.840) 10.150 1.676 ( -13.807 0.000 10.380) 17.273 1.798 ( 11.683 0.000 -2.900) 12.038 2.066 ( -3.757 0.000 1.910) 4.215 2.124 ( 7.668 0.000 -10.894) 13.322 2.154 ( 8.103 0.000 -15.015) 17.062 2.430 ( -8.542 0.000 -6.880) 10.968 2.685 ( 0.472 0.000 1.852) 1.911 2.737 ( -4.688 0.000 -4.634) 6.592 2.771 ( -0.551 0.000 2.381) 2.444 2.820 ( 0.881 0.000 -2.980) 3.107 2.857 ( -0.562 0.000 -1.966) 2.045 2.972 ( -0.475 0.000 3.995) 4.023 2.986 ( 3.402 0.000 -2.499) 4.222 3.091 ( -1.139 0.000 2.737) 2.964 3.102 ( -2.873 0.000 0.811) 2.985 3.266 ( -4.212 0.000 5.472) 6.905 3.295 ( 2.893 0.000 0.917) 3.035 3.535 ( 0.039 0.000 1.474) 1.475 3.596 ( -1.530 0.000 -0.705) 1.685 3.737 ( 0.099 0.000 -0.323) 0.338 3.749 ( -3.511 0.000 -5.076) 6.172 3.804 ( 0.803 0.000 1.187) 1.433 3.815 ( 1.440 0.000 -1.385) 1.998 4.032 ( -1.607 0.000 -2.240) 2.757 4.067 ( 3.190 0.000 -3.319) 4.604 4.177 ( -1.033 0.000 3.349) 3.505 4.259 ( -3.452 0.000 2.360) 4.181 4.310 ( -0.258 0.000 3.529) 3.539 4.607 ( 0.555 0.000 0.590) 0.810 4.620 ( 1.314 0.000 -7.592) 7.704 4.755 ( -2.991 0.000 3.355) 4.495 5.697 ( 1.759 0.000 -0.353) 1.794 5.733 ( -5.089 0.000 3.659) 6.268 5.777 ( 0.632 0.000 -0.829) 1.042 5.834 ( -0.219 0.000 -2.937) 2.945 5.843 ( 0.502 0.000 -0.974) 1.096 5.854 ( 3.301 0.000 -2.719) 4.276 6.042 ( -0.586 0.000 -0.895) 1.070 6.083 ( -1.193 0.000 0.490) 1.290 6.163 ( 2.379 0.000 2.609) 3.530 6.292 ( -1.729 0.000 2.901) 3.377 6.360 ( 0.581 0.000 -1.438) 1.551 6.536 ( -1.035 0.000 -6.759) 6.837 6.625 ( 0.215 0.000 2.536) 2.545 6.776 ( -2.341 0.000 -1.290) 2.673 7.083 ( -1.205 0.000 4.256) 4.423 7.182 ( 2.872 0.000 -2.930) 4.103 7.545 ( 0.083 0.000 2.638) 2.639 7.725 ( -1.099 0.000 -1.795) 2.104 7.726 ( 1.308 0.000 1.255) 1.812 7.800 ( -3.419 0.000 3.481) 4.880 7.826 ( -0.636 0.000 2.704) 2.778 7.930 ( -0.805 0.000 -1.000) 1.284 8.167 ( -1.678 0.000 3.265) 3.670 8.254 ( 2.203 0.000 -1.543) 2.690 13.047 ( -5.869 0.000 -0.914) 5.940 13.118 ( 1.156 0.000 -3.459) 3.647 13.555 ( 0.387 0.000 3.149) 3.173 14.082 ( -2.697 0.000 -13.249) 13.521 15.658 ( -2.227 0.000 1.393) 2.626 15.800 ( -3.547 0.000 -4.038) 5.375 16.586 ( -3.000 0.000 0.419) 3.029 16.662 ( -0.774 0.000 -3.760) 3.839 16.989 ( -4.592 0.000 4.264) 6.266 17.103 ( 5.566 0.000 -5.952) 8.149 18.462 ( -3.170 0.000 6.660) 7.375 18.776 ( 1.679 0.000 -7.560) 7.745 20.013 ( 2.810 0.000 0.561) 2.865 20.032 ( -0.319 0.000 2.049) 2.074 20.333 ( -1.014 0.000 0.888) 1.348 20.336 ( 1.722 0.000 -0.797) 1.897 21.344 ( -0.406 0.000 -0.366) 0.547 21.364 ( -0.699 0.000 -0.269) 0.749 22.137 ( 0.829 0.000 4.646) 4.719 22.279 ( 0.163 0.000 -1.892) 1.899 22.887 ( 2.640 0.000 -0.035) 2.640 23.048 ( -3.079 0.000 -1.744) 3.539 23.243 ( -1.034 0.000 2.179) 2.412 23.265 ( 1.828 0.000 0.320) 1.856 45.606 ( -1.800 0.000 1.737) 2.502 45.643 ( 1.298 0.000 -1.671) 2.116 46.552 ( 0.368 0.000 -0.708) 0.798 46.620 ( -2.168 0.000 -0.896) 2.346 46.826 ( 2.205 0.000 1.288) 2.553 46.854 ( -0.250 0.000 1.725) 1.743 47.650 ( -0.036 0.000 1.286) 1.287 47.724 ( 2.407 0.000 -2.944) 3.803 95.610 ( 2.152 0.000 2.648) 3.412 95.757 ( 1.440 0.000 -0.625) 1.569 95.933 ( 0.806 0.000 4.306) 4.381 96.001 ( 0.133 0.000 1.091) 1.099 96.108 ( 0.302 0.000 -2.173) 2.193 96.161 ( -0.481 0.000 0.165) 0.508 96.309 ( 5.443 0.000 -2.984) 6.207 96.550 ( -5.172 0.000 -0.678) 5.216 98.482 ( -1.405 0.000 2.608) 2.962 98.606 ( 2.604 0.000 -4.047) 4.812 99.257 ( 1.741 0.000 -1.771) 2.483 99.480 ( -9.981 0.000 -1.877) 10.156 104.703 ( -0.053 0.000 -0.125) 0.136 104.720 ( -0.065 0.000 -0.515) 0.519 104.888 ( 2.369 0.000 -0.181) 2.376 104.906 ( -2.160 0.000 2.371) 3.207 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 9.028 0.000 3.007) 9.515 1.212 ( -9.535 0.000 -2.336) 9.817 1.446 ( -16.066 0.000 12.605) 20.420 1.625 ( -14.148 0.000 11.329) 18.125 1.716 ( 14.934 0.000 -4.617) 15.631 1.723 ( 12.737 0.000 0.924) 12.770 1.979 ( 9.857 0.000 5.074) 11.086 2.007 ( -6.195 0.000 -0.843) 6.252 2.090 ( 10.505 0.000 -10.896) 15.135 2.157 ( -10.974 0.000 -9.071) 14.238 2.210 ( 10.249 0.000 5.313) 11.544 2.409 ( -15.748 0.000 -12.907) 20.362 2.739 ( 1.703 0.000 1.450) 2.236 2.765 ( -0.959 0.000 -1.606) 1.871 2.801 ( -1.467 0.000 1.497) 2.096 2.841 ( 0.689 0.000 -1.230) 1.410 3.026 ( 0.196 0.000 3.205) 3.211 3.054 ( 4.247 0.000 0.931) 4.347 3.080 ( 0.056 0.000 0.030) 0.064 3.092 ( -1.891 0.000 -0.300) 1.914 3.287 ( -2.876 0.000 4.493) 5.335 3.350 ( 3.673 0.000 -1.024) 3.813 3.551 ( -2.486 0.000 -0.884) 2.638 3.555 ( 1.945 0.000 -0.849) 2.122 3.689 ( -0.122 0.000 1.226) 1.232 3.727 ( -0.188 0.000 -1.702) 1.712 3.814 ( -1.855 0.000 0.236) 1.870 3.826 ( 2.488 0.000 -0.565) 2.551 3.988 ( -0.731 0.000 0.193) 0.756 4.032 ( -0.362 0.000 -3.841) 3.858 4.206 ( -0.573 0.000 2.532) 2.596 4.244 ( -0.159 0.000 -0.670) 0.689 4.364 ( -1.073 0.000 5.668) 5.769 4.515 ( -0.187 0.000 -7.641) 7.643 4.662 ( 1.726 0.000 4.266) 4.601 4.736 ( -0.906 0.000 -1.770) 1.989 5.708 ( -2.763 0.000 2.799) 3.933 5.734 ( 0.164 0.000 2.097) 2.104 5.744 ( -1.170 0.000 -1.703) 2.066 5.797 ( 0.328 0.000 -1.906) 1.934 5.836 ( 0.100 0.000 -0.624) 0.632 5.865 ( 3.580 0.000 -4.133) 5.468 6.061 ( 0.821 0.000 1.692) 1.881 6.072 ( -1.428 0.000 0.484) 1.507 6.255 ( 2.846 0.000 4.791) 5.572 6.301 ( -2.138 0.000 3.226) 3.870 6.331 ( -1.529 0.000 -2.349) 2.802 6.421 ( 0.794 0.000 -7.863) 7.903 6.680 ( 1.406 0.000 2.986) 3.301 6.730 ( -1.041 0.000 -1.818) 2.095 7.114 ( -1.907 0.000 3.273) 3.788 7.179 ( 2.413 0.000 -3.109) 3.935 7.597 ( 0.965 0.000 3.487) 3.618 7.666 ( -1.669 0.000 -2.969) 3.406 7.776 ( 2.281 0.000 1.741) 2.869 7.784 ( -3.050 0.000 1.178) 3.269 7.855 ( -0.710 0.000 2.780) 2.869 7.901 ( -0.523 0.000 -1.486) 1.576 8.201 ( -0.696 0.000 3.201) 3.275 8.255 ( 1.173 0.000 -2.104) 2.409 13.005 ( -1.249 0.000 2.179) 2.511 13.080 ( 1.840 0.000 -4.748) 5.092 13.644 ( 1.588 0.000 7.539) 7.705 13.846 ( -3.831 0.000 -11.967) 12.565 15.665 ( 0.046 0.000 2.142) 2.143 15.713 ( -1.394 0.000 -2.741) 3.075 16.561 ( -1.672 0.000 1.434) 2.203 16.594 ( -2.146 0.000 -1.965) 2.910 16.980 ( -5.246 0.000 4.980) 7.233 17.097 ( 5.095 0.000 -5.980) 7.857 18.511 ( -4.246 0.000 8.395) 9.408 18.694 ( 3.103 0.000 -8.717) 9.253 20.044 ( -1.369 0.000 1.151) 1.788 20.057 ( 2.181 0.000 -0.082) 2.182 20.329 ( -1.101 0.000 0.793) 1.357 20.344 ( 0.882 0.000 -0.674) 1.110 21.341 ( -0.038 0.000 0.423) 0.424 21.351 ( -0.379 0.000 -0.422) 0.567 22.204 ( -0.721 0.000 3.937) 4.002 22.263 ( 0.651 0.000 -1.941) 2.048 22.936 ( 3.311 0.000 0.813) 3.410 22.973 ( -2.171 0.000 -2.731) 3.488 23.256 ( -1.823 0.000 2.345) 2.970 23.291 ( 1.851 0.000 -0.750) 1.997 45.606 ( -1.600 0.000 1.713) 2.344 45.641 ( 1.639 0.000 -1.673) 2.342 46.568 ( 1.841 0.000 0.258) 1.859 46.578 ( -1.910 0.000 -0.711) 2.038 46.865 ( -0.911 0.000 0.761) 1.187 46.868 ( 1.522 0.000 0.458) 1.589 47.664 ( -1.042 0.000 1.770) 2.054 47.709 ( 1.026 0.000 -2.628) 2.821 95.685 ( 1.991 0.000 3.037) 3.631 95.741 ( -0.954 0.000 -2.315) 2.504 96.002 ( -1.283 0.000 5.342) 5.494 96.025 ( 0.070 0.000 2.060) 2.061 96.080 ( 0.232 0.000 -2.024) 2.038 96.133 ( 1.462 0.000 -4.617) 4.843 96.393 ( 5.996 0.000 1.533) 6.188 96.445 ( -5.562 0.000 -2.465) 6.084 98.503 ( -1.436 0.000 3.266) 3.568 98.579 ( 1.618 0.000 -4.090) 4.398 99.290 ( 3.478 0.000 1.036) 3.629 99.327 ( -6.309 0.000 -2.040) 6.630 104.705 ( 0.158 0.000 0.149) 0.217 104.712 ( 0.021 0.000 -0.514) 0.514 104.898 ( -2.587 0.000 1.569) 3.026 104.921 ( 2.703 0.000 -0.586) 2.766 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -12.843 0.000 -2.325) 13.052 1.313 ( 4.848 0.000 3.015) 5.709 1.404 ( -16.858 0.000 14.023) 21.928 1.526 ( -13.654 0.000 1.015) 13.692 1.736 ( 12.059 0.000 -11.094) 16.386 1.821 ( -17.113 0.000 4.341) 17.655 1.873 ( -13.413 0.000 -8.734) 16.006 1.906 ( 13.565 0.000 -9.252) 16.420 2.075 ( -9.134 0.000 -1.088) 9.198 2.078 ( 4.647 0.000 -0.288) 4.656 2.281 ( 11.637 0.000 6.598) 13.378 2.526 ( 10.852 0.000 12.498) 16.552 2.727 ( -1.119 0.000 -1.255) 1.681 2.781 ( 2.252 0.000 0.372) 2.283 2.809 ( -1.823 0.000 3.063) 3.565 2.838 ( 1.605 0.000 -1.995) 2.560 3.001 ( -3.311 0.000 -3.184) 4.593 3.045 ( 0.363 0.000 -2.711) 2.735 3.089 ( 0.792 0.000 1.768) 1.937 3.152 ( 5.046 0.000 -1.356) 5.225 3.292 ( -2.315 0.000 1.239) 2.626 3.371 ( 4.266 0.000 -4.236) 6.011 3.521 ( -1.421 0.000 1.536) 2.093 3.581 ( 1.740 0.000 0.503) 1.811 3.699 ( 0.477 0.000 -0.504) 0.694 3.730 ( 1.378 0.000 0.775) 1.581 3.777 ( -2.873 0.000 1.599) 3.288 3.850 ( 1.653 0.000 -2.504) 3.000 3.993 ( 0.062 0.000 0.501) 0.505 4.011 ( -0.419 0.000 2.610) 2.643 4.232 ( 0.797 0.000 -1.746) 1.919 4.234 ( -0.011 0.000 2.144) 2.144 4.418 ( 0.187 0.000 -5.455) 5.458 4.442 ( -2.142 0.000 8.359) 8.629 4.684 ( 0.963 0.000 -5.137) 5.227 4.758 ( 3.509 0.000 3.202) 4.750 5.707 ( -0.943 0.000 -1.284) 1.593 5.719 ( -3.490 0.000 4.993) 6.091 5.771 ( 1.162 0.000 1.665) 2.030 5.792 ( 1.383 0.000 -0.629) 1.519 5.831 ( -0.205 0.000 0.082) 0.221 5.855 ( 2.836 0.000 -3.720) 4.678 6.048 ( -1.744 0.000 -0.464) 1.805 6.084 ( 0.178 0.000 0.564) 0.591 6.239 ( -3.002 0.000 -4.570) 5.468 6.320 ( -1.470 0.000 2.876) 3.230 6.361 ( 2.337 0.000 -4.805) 5.343 6.383 ( 2.757 0.000 7.000) 7.523 6.686 ( -0.407 0.000 -3.055) 3.082 6.743 ( 2.166 0.000 2.102) 3.018 7.122 ( -2.725 0.000 2.890) 3.972 7.163 ( 1.642 0.000 -3.521) 3.885 7.605 ( -0.758 0.000 -2.896) 2.994 7.665 ( 1.050 0.000 3.619) 3.769 7.749 ( -2.015 0.000 -0.536) 2.085 7.834 ( 2.737 0.000 0.687) 2.822 7.876 ( 0.561 0.000 -1.958) 2.036 7.885 ( -0.773 0.000 3.060) 3.156 8.220 ( -1.879 0.000 1.942) 2.702 8.232 ( 0.840 0.000 -2.896) 3.015 13.048 ( 1.128 0.000 3.077) 3.278 13.058 ( 3.465 0.000 -2.806) 4.458 13.657 ( -3.038 0.000 -7.064) 7.690 13.813 ( 1.863 0.000 12.138) 12.280 15.684 ( 1.139 0.000 -1.313) 1.738 15.724 ( 2.507 0.000 3.462) 4.274 16.565 ( -1.080 0.000 1.940) 2.220 16.579 ( -1.440 0.000 4.037) 4.286 16.977 ( -5.594 0.000 5.911) 8.138 17.090 ( 4.833 0.000 -5.344) 7.206 18.583 ( -3.430 0.000 10.374) 10.927 18.620 ( 2.991 0.000 -8.288) 8.811 20.023 ( -2.260 0.000 -0.131) 2.263 20.070 ( 1.058 0.000 -1.455) 1.799 20.321 ( -1.507 0.000 0.663) 1.647 20.347 ( 0.608 0.000 -0.442) 0.752 21.342 ( -0.286 0.000 -0.113) 0.308 21.353 ( 0.490 0.000 0.706) 0.859 22.223 ( -1.094 0.000 -3.700) 3.859 22.228 ( -2.152 0.000 3.091) 3.766 22.912 ( -0.977 0.000 -2.513) 2.696 23.012 ( 4.615 0.000 1.566) 4.874 23.252 ( -2.348 0.000 1.517) 2.795 23.294 ( 1.268 0.000 -2.232) 2.567 45.607 ( -1.371 0.000 1.696) 2.181 45.643 ( 1.909 0.000 -1.771) 2.604 46.548 ( -1.001 0.000 -0.215) 1.023 46.606 ( 2.368 0.000 0.496) 2.419 46.844 ( -2.129 0.000 -0.450) 2.176 46.880 ( 0.450 0.000 -0.824) 0.939 47.669 ( -2.235 0.000 2.332) 3.230 47.684 ( 0.020 0.000 -1.998) 1.999 95.673 ( -2.303 0.000 -3.254) 3.986 95.737 ( 0.173 0.000 1.511) 1.521 96.021 ( -1.670 0.000 0.420) 1.722 96.053 ( 0.353 0.000 -0.316) 0.474 96.073 ( 0.712 0.000 -5.045) 5.095 96.089 ( -0.026 0.000 3.574) 3.574 96.327 ( -4.868 0.000 -2.743) 5.588 96.511 ( 5.542 0.000 2.649) 6.142 98.527 ( -1.951 0.000 3.573) 4.071 98.545 ( 1.208 0.000 -3.518) 3.720 99.239 ( -3.607 0.000 0.057) 3.608 99.401 ( 6.240 0.000 4.866) 7.913 104.707 ( 0.170 0.000 -0.401) 0.435 104.711 ( 0.229 0.000 0.289) 0.369 104.877 ( -2.570 0.000 0.927) 2.733 104.948 ( 2.748 0.000 -1.523) 3.142 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -14.156 0.000 1.459) 14.231 1.063 ( -23.033 0.000 -9.202) 24.803 1.390 ( -5.025 0.000 3.319) 6.022 1.432 ( -4.070 0.000 3.909) 5.643 1.616 ( -10.207 0.000 0.678) 10.230 1.770 ( -19.243 0.000 24.017) 30.776 1.783 ( 12.238 0.000 -7.995) 14.619 1.945 ( 12.256 0.000 -10.651) 16.237 2.015 ( -5.717 0.000 5.467) 7.910 2.137 ( 4.532 0.000 -1.747) 4.857 2.503 ( 5.798 0.000 4.482) 7.328 2.685 ( -0.741 0.000 -1.655) 1.813 2.773 ( 2.414 0.000 2.199) 3.265 2.810 ( 2.383 0.000 -2.956) 3.797 2.829 ( 1.901 0.000 -1.120) 2.207 2.835 ( -0.529 0.000 2.686) 2.738 2.923 ( -2.509 0.000 2.208) 3.342 3.008 ( 0.999 0.000 -4.018) 4.140 3.135 ( 1.042 0.000 2.908) 3.089 3.147 ( 2.444 0.000 -5.581) 6.093 3.261 ( -0.901 0.000 -1.027) 1.366 3.371 ( 4.873 0.000 -4.862) 6.884 3.544 ( 1.091 0.000 0.977) 1.465 3.605 ( 0.148 0.000 0.600) 0.618 3.736 ( -1.011 0.000 1.001) 1.423 3.774 ( 3.910 0.000 4.881) 6.254 3.784 ( 0.030 0.000 0.851) 0.852 3.808 ( -0.112 0.000 -2.509) 2.511 4.015 ( -2.333 0.000 0.650) 2.422 4.035 ( 0.775 0.000 2.343) 2.468 4.217 ( 1.487 0.000 -2.868) 3.230 4.269 ( 0.305 0.000 2.181) 2.202 4.371 ( 1.567 0.000 -3.279) 3.634 4.519 ( -4.255 0.000 8.538) 9.540 4.636 ( 2.422 0.000 -4.835) 5.407 4.841 ( 5.264 0.000 -2.115) 5.673 5.681 ( -0.488 0.000 -0.704) 0.857 5.721 ( -4.781 0.000 2.931) 5.607 5.813 ( 0.859 0.000 1.212) 1.486 5.817 ( 1.127 0.000 1.085) 1.565 5.837 ( 0.340 0.000 1.204) 1.251 5.845 ( 3.212 0.000 -4.161) 5.257 6.037 ( 0.468 0.000 2.987) 3.024 6.091 ( -0.156 0.000 0.564) 0.585 6.148 ( -1.911 0.000 -2.342) 3.023 6.320 ( -0.827 0.000 -3.682) 3.774 6.333 ( -1.412 0.000 2.147) 2.570 6.517 ( 2.018 0.000 6.235) 6.553 6.645 ( 0.840 0.000 -2.220) 2.374 6.804 ( 2.445 0.000 1.538) 2.889 7.122 ( -2.678 0.000 2.900) 3.947 7.130 ( 1.369 0.000 -4.140) 4.360 7.562 ( -0.002 0.000 -2.476) 2.476 7.717 ( -0.223 0.000 2.434) 2.444 7.718 ( -0.516 0.000 -0.895) 1.033 7.848 ( 0.397 0.000 -1.884) 1.925 7.878 ( 3.960 0.000 -3.003) 4.969 7.915 ( -1.096 0.000 2.941) 3.138 8.204 ( -3.104 0.000 1.643) 3.512 8.214 ( 2.094 0.000 -2.262) 3.083 13.104 ( 1.606 0.000 1.483) 2.186 13.141 ( 8.131 0.000 3.051) 8.684 13.560 ( -1.246 0.000 -2.054) 2.402 14.017 ( -0.163 0.000 13.647) 13.648 15.705 ( 3.255 0.000 -0.556) 3.302 15.830 ( 3.782 0.000 4.287) 5.717 16.617 ( -2.886 0.000 5.231) 5.974 16.622 ( 3.032 0.000 3.279) 4.466 16.976 ( -5.990 0.000 5.982) 8.465 17.088 ( 4.479 0.000 -4.910) 6.646 18.547 ( 2.103 0.000 -7.354) 7.648 18.708 ( 0.265 0.000 9.791) 9.795 19.978 ( -2.469 0.000 -0.924) 2.636 20.050 ( 0.218 0.000 -2.431) 2.441 20.297 ( -2.845 0.000 0.398) 2.873 20.350 ( 0.575 0.000 -0.379) 0.689 21.342 ( -0.190 0.000 0.749) 0.773 21.374 ( 1.092 0.000 0.567) 1.230 22.135 ( -2.593 0.000 -3.165) 4.092 22.245 ( -2.097 0.000 4.174) 4.671 22.871 ( -0.224 0.000 -2.134) 2.146 23.103 ( 4.813 0.000 0.275) 4.821 23.232 ( -2.239 0.000 0.806) 2.380 23.267 ( 0.128 0.000 -2.641) 2.644 45.613 ( -1.168 0.000 1.770) 2.120 45.647 ( 1.992 0.000 -1.864) 2.728 46.549 ( 0.623 0.000 0.974) 1.156 46.649 ( 2.222 0.000 0.644) 2.313 46.795 ( -2.781 0.000 -0.877) 2.916 46.866 ( 0.157 0.000 -1.252) 1.262 47.655 ( -0.465 0.000 -1.482) 1.553 47.662 ( -3.410 0.000 2.618) 4.299 95.597 ( -1.802 0.000 -2.672) 3.222 95.732 ( -1.669 0.000 -0.208) 1.682 95.948 ( -2.101 0.000 -7.233) 7.532 95.996 ( -1.278 0.000 -0.444) 1.353 96.087 ( -0.586 0.000 2.431) 2.501 96.154 ( 0.407 0.000 4.344) 4.363 96.233 ( -3.609 0.000 -0.850) 3.708 96.621 ( 4.925 0.000 1.240) 5.078 98.520 ( 1.407 0.000 -2.664) 3.013 98.542 ( -2.750 0.000 3.358) 4.341 99.217 ( -1.823 0.000 2.479) 3.077 99.617 ( 11.600 0.000 6.201) 13.153 104.707 ( 0.442 0.000 -0.124) 0.459 104.719 ( 0.262 0.000 0.379) 0.461 104.850 ( -2.354 0.000 0.571) 2.423 104.955 ( 2.103 0.000 -2.746) 3.459 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -10.754 0.000 9.350) 14.250 0.733 ( -12.067 0.000 7.666) 14.296 1.345 ( -6.395 0.000 4.727) 7.952 1.424 ( 1.076 0.000 -1.111) 1.547 1.545 ( -6.809 0.000 5.068) 8.488 1.855 ( 11.525 0.000 -7.953) 14.003 1.879 ( -16.809 0.000 28.052) 32.702 1.980 ( 10.385 0.000 -8.693) 13.543 2.036 ( -7.482 0.000 11.255) 13.515 2.167 ( 5.152 0.000 -3.781) 6.391 2.536 ( -3.389 0.000 -1.513) 3.712 2.652 ( 0.409 0.000 -3.369) 3.394 2.719 ( -2.895 0.000 -5.152) 5.909 2.772 ( 1.075 0.000 -4.906) 5.022 2.856 ( 1.802 0.000 -0.936) 2.031 2.864 ( -1.500 0.000 4.292) 4.546 2.931 ( -2.439 0.000 1.142) 2.693 2.965 ( 1.673 0.000 -3.973) 4.311 3.134 ( 2.953 0.000 -1.227) 3.198 3.186 ( 1.746 0.000 -0.440) 1.800 3.274 ( 0.573 0.000 3.103) 3.155 3.386 ( 5.460 0.000 -3.823) 6.665 3.573 ( 3.456 0.000 -1.769) 3.882 3.601 ( -1.318 0.000 -0.011) 1.318 3.740 ( -1.305 0.000 2.265) 2.614 3.767 ( -0.967 0.000 -0.037) 0.968 3.791 ( 1.367 0.000 -1.332) 1.908 3.921 ( 4.744 0.000 3.077) 5.655 3.981 ( -2.781 0.000 1.041) 2.970 4.045 ( -1.240 0.000 -0.324) 1.282 4.192 ( 1.567 0.000 -3.911) 4.214 4.285 ( -0.421 0.000 -0.430) 0.602 4.369 ( 3.176 0.000 -1.938) 3.720 4.544 ( -6.670 0.000 6.342) 9.203 4.616 ( 1.754 0.000 -2.897) 3.387 4.799 ( 0.224 0.000 -10.043) 10.045 5.647 ( -5.200 0.000 -1.345) 5.372 5.679 ( 0.295 0.000 0.738) 0.795 5.818 ( 0.489 0.000 -3.105) 3.143 5.825 ( -1.640 0.000 2.742) 3.195 5.852 ( 2.443 0.000 -0.809) 2.573 5.879 ( 1.193 0.000 1.568) 1.970 6.094 ( -0.845 0.000 0.606) 1.039 6.123 ( 0.691 0.000 0.843) 1.090 6.199 ( 8.048 0.000 8.040) 11.376 6.234 ( -3.565 0.000 -2.304) 4.245 6.341 ( -1.131 0.000 1.585) 1.947 6.609 ( 0.682 0.000 3.873) 3.933 6.663 ( 2.948 0.000 0.375) 2.972 6.856 ( 1.308 0.000 1.634) 2.093 7.089 ( 1.551 0.000 -4.861) 5.102 7.116 ( -2.539 0.000 1.366) 2.883 7.535 ( 0.343 0.000 -1.475) 1.514 7.709 ( 0.601 0.000 -0.590) 0.842 7.726 ( -1.280 0.000 0.624) 1.424 7.819 ( 0.637 0.000 -3.346) 3.406 7.879 ( 3.370 0.000 -4.163) 5.356 7.931 ( -1.685 0.000 2.040) 2.645 8.189 ( -2.744 0.000 2.760) 3.892 8.230 ( 2.960 0.000 -1.258) 3.216 13.137 ( 1.221 0.000 0.421) 1.291 13.327 ( 8.774 0.000 -0.110) 8.775 13.592 ( 6.394 0.000 3.686) 7.381 14.157 ( -4.986 0.000 10.498) 11.622 15.761 ( 4.961 0.000 -0.225) 4.966 15.937 ( 1.984 0.000 4.134) 4.586 16.623 ( -5.726 0.000 4.244) 7.128 16.691 ( 4.049 0.000 -3.976) 5.675 16.962 ( -6.390 0.000 5.415) 8.376 17.083 ( 4.207 0.000 -5.030) 6.558 18.480 ( 2.192 0.000 -6.282) 6.654 18.777 ( -3.715 0.000 -0.711) 3.783 19.941 ( -1.252 0.000 0.349) 1.299 20.016 ( 0.101 0.000 -2.533) 2.535 20.260 ( -3.371 0.000 1.990) 3.914 20.352 ( 0.685 0.000 -0.649) 0.944 21.358 ( -0.016 0.000 1.605) 1.605 21.401 ( 1.533 0.000 0.347) 1.572 22.129 ( 4.391 0.000 2.444) 5.025 22.288 ( -2.213 0.000 6.264) 6.644 22.847 ( 0.993 0.000 -1.805) 2.060 23.118 ( -0.089 0.000 -3.945) 3.946 23.215 ( -1.415 0.000 0.846) 1.649 23.250 ( 0.514 0.000 0.107) 0.525 45.622 ( -1.103 0.000 1.831) 2.137 45.651 ( 1.927 0.000 -1.638) 2.529 46.596 ( 2.157 0.000 2.490) 3.294 46.687 ( 1.664 0.000 0.400) 1.711 46.747 ( -2.361 0.000 -0.176) 2.368 46.863 ( 1.669 0.000 -0.879) 1.886 47.630 ( -0.267 0.000 -1.247) 1.275 47.642 ( -4.050 0.000 2.533) 4.777 95.556 ( -0.115 0.000 -0.689) 0.698 95.695 ( -1.972 0.000 -0.731) 2.103 95.843 ( -3.127 0.000 -0.749) 3.216 95.972 ( -1.430 0.000 -0.167) 1.440 96.112 ( -0.616 0.000 2.482) 2.558 96.159 ( 0.280 0.000 -2.316) 2.333 96.259 ( -1.248 0.000 7.421) 7.525 96.680 ( 4.135 0.000 -2.682) 4.929 98.512 ( 1.905 0.000 -1.977) 2.745 98.539 ( -3.402 0.000 2.830) 4.425 99.253 ( -0.477 0.000 4.969) 4.992 99.851 ( 13.115 0.000 -2.856) 13.422 104.717 ( 0.755 0.000 0.274) 0.803 104.729 ( 0.323 0.000 0.433) 0.540 104.824 ( -2.078 0.000 0.493) 2.135 104.935 ( 1.269 0.000 -3.459) 3.684 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -3.498 0.000 14.667) 15.078 0.958 ( 8.199 0.000 21.402) 22.919 1.297 ( -3.647 0.000 -2.229) 4.275 1.473 ( 1.045 0.000 4.271) 4.397 1.576 ( 0.381 0.000 8.885) 8.893 1.869 ( 7.871 0.000 -11.304) 13.775 1.972 ( 4.918 0.000 -10.504) 11.599 2.036 ( -11.439 0.000 22.866) 25.567 2.110 ( -9.834 0.000 17.801) 20.337 2.192 ( 5.769 0.000 -5.654) 8.077 2.411 ( -7.290 0.000 -4.312) 8.470 2.565 ( 0.747 0.000 -7.664) 7.701 2.613 ( -3.135 0.000 -1.421) 3.442 2.712 ( -0.137 0.000 -4.406) 4.408 2.831 ( -0.101 0.000 -3.393) 3.394 2.871 ( -2.283 0.000 0.193) 2.291 2.950 ( 0.381 0.000 3.746) 3.765 2.964 ( 1.296 0.000 -0.382) 1.351 3.173 ( 2.687 0.000 -0.562) 2.746 3.182 ( 2.225 0.000 -3.003) 3.737 3.316 ( -0.745 0.000 2.406) 2.519 3.427 ( 5.990 0.000 -2.524) 6.500 3.567 ( -2.618 0.000 -0.453) 2.657 3.580 ( 2.474 0.000 -4.578) 5.204 3.758 ( -1.477 0.000 2.794) 3.161 3.768 ( -2.202 0.000 2.613) 3.417 3.795 ( 2.883 0.000 -1.821) 3.410 3.947 ( -0.159 0.000 -4.013) 4.016 3.976 ( -2.306 0.000 3.302) 4.027 4.053 ( 2.617 0.000 1.076) 2.829 4.152 ( 0.539 0.000 -3.674) 3.713 4.250 ( -0.676 0.000 -2.827) 2.907 4.404 ( 3.598 0.000 -0.540) 3.638 4.504 ( -7.983 0.000 3.843) 8.859 4.590 ( -0.181 0.000 -2.791) 2.797 4.632 ( -1.668 0.000 -8.509) 8.671 5.576 ( -3.350 0.000 0.991) 3.493 5.710 ( 0.843 0.000 2.487) 2.626 5.762 ( 0.377 0.000 -5.558) 5.571 5.844 ( -1.485 0.000 2.920) 3.276 5.875 ( 1.266 0.000 0.230) 1.287 5.894 ( 0.382 0.000 -1.376) 1.428 6.080 ( -2.038 0.000 0.620) 2.131 6.124 ( -1.994 0.000 -0.572) 2.074 6.211 ( 1.662 0.000 2.613) 3.097 6.342 ( -1.119 0.000 0.806) 1.379 6.443 ( 9.738 0.000 4.921) 10.911 6.649 ( -0.622 0.000 1.705) 1.815 6.726 ( 2.754 0.000 2.141) 3.488 6.885 ( -0.850 0.000 1.809) 1.999 7.037 ( 1.532 0.000 -5.508) 5.717 7.080 ( -2.414 0.000 -1.085) 2.646 7.537 ( 1.304 0.000 0.196) 1.318 7.694 ( -1.985 0.000 -1.944) 2.778 7.715 ( 0.572 0.000 0.041) 0.573 7.778 ( 0.074 0.000 -2.593) 2.594 7.876 ( 2.541 0.000 -2.316) 3.438 7.921 ( -2.254 0.000 0.830) 2.402 8.201 ( -1.793 0.000 3.398) 3.842 8.255 ( 2.541 0.000 -1.277) 2.844 13.163 ( 0.921 0.000 1.375) 1.655 13.357 ( 1.767 0.000 -4.144) 4.505 13.815 ( 14.164 0.000 2.109) 14.320 14.153 ( -10.532 0.000 5.527) 11.894 15.848 ( 6.812 0.000 0.330) 6.820 15.998 ( -1.668 0.000 3.661) 4.023 16.559 ( -8.898 0.000 2.347) 9.202 16.596 ( -2.150 0.000 -8.864) 9.121 16.955 ( -5.042 0.000 5.513) 7.471 17.073 ( 4.385 0.000 -5.260) 6.848 18.447 ( 4.611 0.000 -5.235) 6.976 18.593 ( -13.447 0.000 -2.212) 13.627 19.943 ( -0.395 0.000 0.855) 0.942 19.987 ( 0.475 0.000 -2.082) 2.135 20.268 ( -0.950 0.000 3.117) 3.258 20.351 ( 0.841 0.000 -1.124) 1.404 21.386 ( 0.155 0.000 2.098) 2.103 21.427 ( 1.385 0.000 0.031) 1.386 22.302 ( 12.697 0.000 0.633) 12.712 22.340 ( -4.501 0.000 7.419) 8.677 22.856 ( 3.247 0.000 -1.311) 3.502 23.025 ( -4.714 0.000 -2.949) 5.560 23.217 ( -0.412 0.000 1.239) 1.306 23.259 ( -0.006 0.000 0.044) 0.044 45.630 ( -1.246 0.000 1.776) 2.169 45.658 ( 1.857 0.000 -1.375) 2.311 46.665 ( 0.928 0.000 2.532) 2.697 46.705 ( 0.825 0.000 -0.369) 0.904 46.734 ( 0.057 0.000 1.786) 1.787 46.879 ( 2.169 0.000 -1.838) 2.844 47.616 ( 0.741 0.000 -1.155) 1.372 47.616 ( -3.702 0.000 2.039) 4.226 95.573 ( 1.849 0.000 0.697) 1.976 95.659 ( -1.575 0.000 -0.655) 1.706 95.834 ( -0.746 0.000 2.616) 2.721 95.946 ( -1.360 0.000 -0.568) 1.474 96.135 ( -1.166 0.000 2.380) 2.650 96.149 ( 1.812 0.000 -1.364) 2.268 96.349 ( -1.438 0.000 7.922) 8.051 96.669 ( 3.363 0.000 -6.496) 7.315 98.520 ( 2.567 0.000 -1.647) 3.050 98.523 ( -3.523 0.000 2.311) 4.213 99.343 ( 0.371 0.000 7.692) 7.700 99.871 ( 3.997 0.000 -11.545) 12.217 104.736 ( 0.870 0.000 0.551) 1.030 104.740 ( 0.284 0.000 0.417) 0.504 104.804 ( -1.693 0.000 0.801) 1.873 104.900 ( 1.016 0.000 -3.801) 3.934 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.980 8.475 11.490) 14.311 1.223 ( -1.368 4.293 -6.864) 8.211 1.444 ( 7.150 4.430 18.316) 20.155 1.517 ( -3.682 -3.069 8.504) 9.762 1.651 ( 4.767 -8.794 -0.847) 10.039 1.796 ( -2.987 0.390 -12.170) 12.538 1.831 ( 3.519 -0.995 -0.254) 3.666 1.991 ( -6.273 -3.325 -8.650) 11.190 2.218 ( -4.285 5.132 7.391) 9.966 2.266 ( -5.142 1.224 15.035) 15.937 2.367 ( 4.648 2.511 -1.240) 5.426 2.505 ( 4.663 -0.195 -5.973) 7.580 2.629 ( 0.909 1.728 0.899) 2.149 2.653 ( -1.419 0.904 -2.171) 2.747 2.775 ( -1.388 -2.161 -1.965) 3.234 2.795 ( 0.550 -1.788 -2.185) 2.876 2.986 ( -0.868 1.402 2.068) 2.645 3.012 ( -0.082 1.693 0.221) 1.709 3.166 ( 0.422 -1.633 -0.421) 1.738 3.178 ( 0.838 -0.762 -1.559) 1.927 3.362 ( 0.040 1.784 3.141) 3.612 3.468 ( -1.042 -0.619 -6.613) 6.723 3.526 ( -0.762 2.057 -0.110) 2.196 3.535 ( 0.980 2.063 -0.872) 2.445 3.742 ( -3.448 -1.080 2.438) 4.359 3.778 ( 0.803 -0.368 -0.085) 0.888 3.828 ( 0.340 0.343 1.869) 1.930 3.891 ( 1.471 -0.907 -3.182) 3.622 3.966 ( -1.495 -2.176 3.095) 4.068 4.053 ( 2.321 -1.807 -3.782) 4.791 4.125 ( -1.297 -1.873 2.169) 3.146 4.208 ( 0.775 0.212 -4.254) 4.329 4.441 ( -1.412 -0.233 0.822) 1.650 4.455 ( -0.891 1.224 1.356) 2.033 4.511 ( -1.807 -2.464 -1.645) 3.470 4.559 ( 3.412 -0.340 -4.226) 5.442 5.593 ( -1.281 1.554 3.725) 4.235 5.685 ( 0.622 -0.049 -4.741) 4.782 5.777 ( 0.359 0.765 3.452) 3.554 5.848 ( 0.129 -0.276 -2.766) 2.783 5.860 ( -1.171 -0.177 1.959) 2.290 5.902 ( 1.197 0.685 -1.991) 2.422 6.016 ( -1.882 -3.902 2.778) 5.147 6.075 ( 0.411 -2.802 -2.195) 3.583 6.287 ( 0.440 0.849 3.704) 3.825 6.340 ( -0.093 0.735 -1.202) 1.412 6.608 ( 3.443 0.661 2.186) 4.131 6.637 ( -2.242 0.505 -0.308) 2.319 6.799 ( 1.063 -0.093 3.407) 3.570 6.856 ( -2.628 -1.108 -0.809) 2.964 7.005 ( 1.588 -0.031 -1.609) 2.261 7.025 ( 0.019 -0.054 -2.591) 2.592 7.584 ( 1.345 0.747 1.252) 1.983 7.620 ( -1.809 -0.327 -2.033) 2.741 7.729 ( 0.166 0.196 0.745) 0.788 7.751 ( -0.195 -0.005 -1.477) 1.490 7.884 ( -0.824 -0.075 0.767) 1.128 7.897 ( -0.421 0.272 -0.515) 0.718 8.216 ( -1.470 -0.324 2.286) 2.737 8.255 ( 1.609 -1.180 -1.435) 2.458 13.249 ( 1.275 4.175 3.142) 5.379 13.330 ( -0.735 3.020 -4.330) 5.330 13.950 ( -4.006 -6.694 2.505) 8.194 13.971 ( 3.110 -6.218 0.289) 6.958 16.006 ( 1.620 4.743 2.541) 5.619 16.038 ( -0.581 5.746 -0.597) 5.806 16.418 ( -9.386 -2.876 2.125) 10.045 16.450 ( 1.655 -4.803 -0.755) 5.136 16.984 ( -4.103 2.627 4.645) 6.731 17.080 ( 3.859 1.015 -4.612) 6.098 18.392 ( -7.969 -1.736 2.262) 8.464 18.454 ( 7.162 -2.517 -3.706) 8.447 19.957 ( -0.188 0.921 0.756) 1.206 19.979 ( 0.792 0.637 -1.422) 1.748 20.296 ( -0.568 -0.214 2.221) 2.302 20.335 ( 0.607 -0.919 -1.457) 1.826 21.411 ( -0.391 -0.141 1.499) 1.555 21.431 ( 0.394 -0.640 -0.373) 0.839 22.353 ( -6.876 0.835 5.766) 9.012 22.445 ( 8.402 -1.261 -3.029) 9.020 22.906 ( -1.945 -0.239 -0.104) 1.962 22.913 ( 1.912 0.223 -0.841) 2.101 23.215 ( -0.055 -1.848 1.110) 2.156 23.229 ( -0.470 -2.116 -0.321) 2.191 45.642 ( -1.256 0.789 1.164) 1.885 45.666 ( 1.230 0.066 -1.103) 1.654 46.696 ( -0.128 1.155 1.304) 1.747 46.711 ( -0.155 0.560 -0.203) 0.615 46.796 ( 1.192 0.263 2.220) 2.534 46.847 ( -0.400 -1.240 -2.599) 2.907 47.593 ( -1.934 -0.055 1.303) 2.333 47.617 ( 2.036 -0.610 -0.978) 2.339 95.621 ( 2.233 0.485 0.302) 2.305 95.631 ( -1.042 0.336 -0.712) 1.306 95.875 ( 0.426 0.258 2.225) 2.280 95.911 ( -0.698 -0.567 -1.134) 1.448 96.165 ( -1.910 2.750 1.688) 3.749 96.189 ( 1.738 2.611 -0.680) 3.209 96.403 ( -1.596 -3.501 7.003) 7.990 96.543 ( 2.285 -6.356 -6.337) 9.262 98.517 ( -2.667 1.434 1.929) 3.590 98.552 ( 2.601 0.954 -1.378) 3.095 99.484 ( -0.103 0.959 8.230) 8.287 99.668 ( -1.921 -3.728 -9.184) 10.097 104.749 ( 0.013 0.076 0.324) 0.333 104.753 ( 0.042 0.089 -0.041) 0.106 104.816 ( -0.468 1.221 1.165) 1.752 104.861 ( 0.742 -0.004 -3.171) 3.256 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.795 6.750 -9.798) 11.925 1.199 ( 2.393 5.013 8.611) 10.247 1.426 ( -9.758 3.726 -18.156) 20.946 1.558 ( -5.134 -5.043 3.800) 8.138 1.607 ( 0.672 -4.393 -5.098) 6.763 1.723 ( -2.670 1.074 10.112) 10.514 1.759 ( -5.477 -0.456 -2.378) 5.989 1.991 ( -0.002 -5.150 7.005) 8.695 2.318 ( 3.971 3.450 7.158) 8.883 2.359 ( 7.165 2.074 -4.744) 8.840 2.442 ( 2.527 2.142 2.133) 3.940 2.470 ( 6.259 0.040 -10.405) 12.142 2.633 ( 1.003 1.519 -0.163) 1.828 2.690 ( 4.345 0.479 -0.111) 4.373 2.752 ( -1.393 -0.977 2.517) 3.038 2.800 ( 1.984 -2.699 1.691) 3.752 2.994 ( -1.773 1.274 -0.977) 2.392 2.998 ( -0.587 2.175 1.469) 2.689 3.136 ( -3.281 -0.558 -0.498) 3.365 3.156 ( -1.568 -2.061 -0.324) 2.609 3.369 ( -1.511 1.136 -2.765) 3.350 3.397 ( -4.359 2.663 4.061) 6.526 3.497 ( -1.486 0.572 1.770) 2.382 3.580 ( 3.484 1.335 -0.427) 3.755 3.735 ( -2.342 -0.058 3.023) 3.825 3.795 ( 1.257 -1.277 -0.787) 1.957 3.858 ( 0.697 0.246 -1.459) 1.635 3.865 ( 0.990 -0.894 -0.361) 1.382 3.998 ( -0.794 -1.248 3.745) 4.027 4.028 ( 2.629 -2.340 -4.376) 5.616 4.137 ( -1.772 -1.688 1.590) 2.919 4.178 ( 0.110 -0.647 -0.137) 0.670 4.393 ( -2.966 2.176 0.270) 3.689 4.486 ( -1.999 -0.821 4.384) 4.888 4.533 ( 5.422 -2.144 0.055) 5.830 4.582 ( 5.154 -1.018 -2.459) 5.800 5.639 ( 0.970 0.962 -0.936) 1.656 5.646 ( 0.442 0.967 2.216) 2.458 5.795 ( -0.330 1.549 -3.462) 3.807 5.828 ( 0.099 -0.978 2.551) 2.734 5.878 ( -0.187 0.137 1.916) 1.930 5.898 ( 1.988 0.243 -1.951) 2.796 6.041 ( -0.684 -3.686 2.526) 4.521 6.058 ( 0.818 -3.396 -0.673) 3.557 6.285 ( -2.366 1.129 -1.932) 3.256 6.336 ( 0.120 -0.232 0.336) 0.426 6.545 ( -6.066 2.183 -2.253) 6.829 6.656 ( 0.035 -0.358 0.388) 0.529 6.786 ( -3.059 0.354 -2.142) 3.752 6.867 ( 0.903 -1.571 3.264) 3.734 6.983 ( -0.629 0.612 -1.156) 1.451 7.046 ( 3.201 -0.760 0.314) 3.305 7.569 ( -1.566 1.114 -0.948) 2.143 7.631 ( 1.384 -0.376 1.908) 2.386 7.730 ( -0.319 0.324 -0.864) 0.976 7.745 ( 0.111 0.033 1.127) 1.133 7.855 ( -2.924 0.586 0.720) 3.068 7.912 ( 0.483 -0.478 0.998) 1.208 8.215 ( -2.271 -0.343 1.581) 2.789 8.252 ( 1.285 -1.083 -2.027) 2.633 13.227 ( -3.615 1.484 -2.139) 4.455 13.319 ( -0.168 3.900 1.792) 4.295 13.797 ( -10.327 -2.425 0.443) 10.617 14.135 ( 10.209 -7.927 -0.302) 12.929 15.902 ( -8.188 5.329 -0.174) 9.771 16.108 ( 2.152 3.447 -2.457) 4.748 16.381 ( -2.200 -2.423 7.986) 8.630 16.541 ( 6.355 -3.145 2.318) 7.460 16.989 ( -4.036 2.457 4.634) 6.619 17.074 ( 3.803 0.501 -4.392) 5.831 18.352 ( -3.068 0.414 3.332) 4.548 18.546 ( 10.202 -4.312 -1.827) 11.226 19.964 ( -0.045 0.825 0.463) 0.947 19.974 ( 0.914 0.665 -1.079) 1.563 20.314 ( -0.674 -0.386 1.718) 1.885 20.320 ( 0.764 -0.558 -1.972) 2.187 21.413 ( -1.275 -0.370 0.488) 1.415 21.419 ( -0.643 -0.350 -0.847) 1.120 22.290 ( -9.316 1.889 2.683) 9.877 22.461 ( 1.758 -2.385 -5.072) 5.874 22.859 ( -1.265 1.730 -0.246) 2.157 22.976 ( 4.333 -0.947 0.114) 4.437 23.216 ( -0.419 -1.828 -0.304) 1.900 23.229 ( -0.028 -2.006 0.766) 2.147 45.637 ( -1.565 0.764 1.132) 2.077 45.666 ( 0.917 0.082 -1.115) 1.446 46.664 ( -2.873 -0.599 -0.172) 2.940 46.743 ( 2.129 1.489 0.071) 2.599 46.766 ( -3.756 -0.823 -1.629) 4.176 46.850 ( 0.920 0.687 0.832) 1.419 47.592 ( -0.373 0.230 0.984) 1.077 47.643 ( 3.484 -0.996 -1.279) 3.842 95.599 ( -1.289 0.803 -1.096) 1.873 95.651 ( 1.828 -0.377 -0.350) 1.899 95.888 ( 0.388 0.229 -1.469) 1.537 95.920 ( 1.682 -0.266 1.532) 2.291 96.141 ( -2.882 2.651 0.736) 3.984 96.203 ( 1.016 3.056 -0.808) 3.320 96.463 ( -0.426 -5.336 -0.840) 5.418 96.482 ( 0.396 -4.144 -0.346) 4.178 98.507 ( -2.113 2.129 1.668) 3.433 98.574 ( 3.315 0.372 -1.814) 3.797 99.513 ( -2.932 -0.215 -6.980) 7.574 99.597 ( -2.666 -2.400 9.906) 10.535 104.748 ( -0.333 0.100 -0.184) 0.393 104.749 ( -0.403 0.135 -0.045) 0.427 104.836 ( -0.005 0.461 1.362) 1.438 104.838 ( 0.784 0.428 -0.950) 1.304 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 4.493 9.297 -7.918) 13.013 1.052 ( -3.497 5.391 -15.728) 16.990 1.347 ( 2.834 2.992 5.146) 6.592 1.444 ( -2.188 -3.436 -6.453) 7.632 1.590 ( 1.253 -5.138 -0.469) 5.309 1.667 ( -7.002 -1.733 5.375) 8.996 1.816 ( -7.640 1.489 8.255) 11.346 1.997 ( -3.666 -6.185 0.813) 7.235 2.343 ( 6.160 3.957 -11.170) 13.355 2.389 ( 6.881 0.507 -13.565) 15.219 2.499 ( 5.492 -0.064 4.842) 7.322 2.518 ( 3.608 0.222 1.879) 4.074 2.666 ( 2.011 0.804 1.653) 2.724 2.722 ( 1.824 0.676 -0.266) 1.964 2.812 ( 2.129 -0.719 2.872) 3.647 2.880 ( 2.918 -1.822 2.417) 4.205 2.940 ( -2.859 1.337 0.129) 3.159 3.003 ( 1.328 3.034 -3.014) 4.477 3.100 ( -3.354 -0.719 3.632) 4.995 3.120 ( -2.350 -2.445 -0.763) 3.476 3.331 ( -1.792 1.401 -0.525) 2.334 3.359 ( -5.654 3.658 2.824) 7.303 3.513 ( -1.823 0.054 2.954) 3.472 3.620 ( 2.739 0.846 -0.695) 2.950 3.757 ( -1.646 1.634 3.493) 4.193 3.784 ( 0.032 -0.772 -1.387) 1.588 3.817 ( 1.614 0.739 -3.963) 4.342 3.899 ( -0.219 -2.626 1.295) 2.936 4.008 ( 1.987 -2.537 -3.075) 4.454 4.034 ( 0.050 -0.612 1.515) 1.634 4.135 ( 0.562 0.285 0.596) 0.867 4.200 ( -3.104 -1.080 5.699) 6.579 4.360 ( -1.687 2.645 -0.168) 3.141 4.560 ( 0.719 -3.149 4.772) 5.763 4.603 ( 1.922 -1.120 2.504) 3.349 4.631 ( 5.545 -1.105 -2.016) 6.003 5.647 ( 3.615 0.756 -1.493) 3.984 5.692 ( -0.797 -0.475 2.354) 2.530 5.757 ( -0.212 2.439 -0.675) 2.539 5.855 ( 0.546 -0.308 1.062) 1.233 5.891 ( 0.004 0.265 -0.291) 0.394 5.902 ( 1.627 0.977 -1.654) 2.517 6.060 ( 0.766 -3.641 0.165) 3.724 6.091 ( 0.509 -4.307 3.396) 5.509 6.205 ( -2.571 0.856 -3.310) 4.277 6.282 ( -5.325 -2.401 -3.752) 6.942 6.444 ( -2.445 4.971 -0.910) 5.614 6.633 ( -1.741 -1.901 -1.474) 2.969 6.722 ( -2.317 2.675 -1.031) 3.686 6.887 ( -0.718 -1.637 -1.122) 2.110 6.985 ( -1.043 0.423 3.356) 3.540 7.098 ( 2.762 -2.413 0.309) 3.680 7.549 ( -0.410 2.583 0.231) 2.625 7.673 ( 0.385 -1.625 1.604) 2.316 7.722 ( -0.058 1.030 0.660) 1.225 7.763 ( -0.168 0.060 1.457) 1.468 7.828 ( -2.680 0.765 1.520) 3.174 7.929 ( -0.270 -1.260 1.059) 1.668 8.196 ( -2.865 -0.080 1.273) 3.136 8.240 ( 1.324 -0.852 -2.168) 2.679 13.153 ( -2.400 -0.731 -1.581) 2.966 13.289 ( -7.175 -0.828 1.158) 7.315 13.684 ( -4.134 5.052 -1.000) 6.604 14.235 ( 6.427 -7.764 -3.991) 10.840 15.797 ( -6.001 4.883 0.436) 7.749 16.046 ( -3.521 1.495 -2.763) 4.719 16.513 ( 1.329 -1.661 7.666) 7.956 16.652 ( 4.566 -2.248 0.647) 5.131 16.997 ( -3.481 1.798 4.343) 5.849 17.072 ( 4.516 -0.255 -4.386) 6.301 18.381 ( -0.331 1.744 3.802) 4.196 18.684 ( 8.811 -6.272 -0.184) 10.817 19.966 ( 1.046 0.416 -1.169) 1.623 19.979 ( 0.110 0.436 0.870) 0.979 20.309 ( 1.696 0.052 -1.872) 2.527 20.326 ( -0.639 -0.281 1.355) 1.525 21.388 ( -0.866 -0.155 -1.132) 1.433 21.398 ( -1.483 -0.363 0.073) 1.529 22.174 ( -7.618 2.522 0.176) 8.026 22.383 ( -1.970 -2.768 -4.566) 5.692 22.857 ( 1.426 2.371 -0.685) 2.850 23.034 ( 2.543 -2.275 0.632) 3.470 23.211 ( 0.109 -1.280 0.139) 1.292 23.234 ( -0.498 -1.610 0.400) 1.732 45.629 ( -1.653 0.917 1.148) 2.212 45.662 ( 0.691 0.298 -1.076) 1.314 46.611 ( -2.656 -2.172 -1.574) 3.775 46.678 ( -3.996 -2.687 -1.448) 5.029 46.784 ( 2.181 3.835 0.713) 4.469 46.865 ( -0.464 1.926 1.000) 2.219 47.607 ( 0.666 0.280 0.781) 1.064 47.678 ( 3.974 -1.365 -1.871) 4.600 95.569 ( -0.530 0.990 -0.855) 1.411 95.670 ( 1.620 -1.756 -0.427) 2.427 95.884 ( 1.651 1.860 -0.957) 2.665 95.966 ( 2.236 -0.043 0.679) 2.337 96.110 ( -2.618 1.194 0.937) 3.027 96.196 ( 0.171 3.676 -1.012) 3.816 96.383 ( 0.796 -3.786 -7.077) 8.065 96.528 ( -1.254 -5.888 3.923) 7.185 98.501 ( -1.642 2.607 1.506) 3.429 98.597 ( 3.578 -0.176 -2.426) 4.326 99.391 ( -2.194 2.244 -4.697) 5.649 99.658 ( -7.190 -4.582 8.134) 11.784 104.737 ( -0.695 0.663 -0.265) 0.996 104.740 ( -0.309 0.232 -0.250) 0.460 104.840 ( 1.367 0.466 -0.484) 1.523 104.866 ( -0.568 -0.040 2.691) 2.751 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 7.698 5.288 -6.854) 11.584 1.064 ( 11.203 9.419 1.726) 14.738 1.364 ( 0.077 -2.664 -1.689) 3.155 1.454 ( 4.024 0.915 1.929) 4.555 1.617 ( -10.661 -1.475 8.384) 13.643 1.647 ( 5.872 -4.042 -1.647) 7.316 1.763 ( -11.299 1.425 5.834) 12.795 1.971 ( 0.204 -7.773 -0.207) 7.778 2.239 ( 6.907 1.509 -16.289) 17.757 2.295 ( 4.243 2.481 -11.474) 12.482 2.570 ( -0.286 -0.066 -0.804) 0.856 2.606 ( 3.464 -0.246 2.505) 4.282 2.720 ( 1.329 -0.429 1.306) 1.912 2.753 ( 0.452 0.066 2.720) 2.758 2.848 ( 0.523 0.920 -0.879) 1.376 2.911 ( -0.902 0.645 3.391) 3.568 2.956 ( 0.691 3.278 -2.973) 4.479 2.994 ( 3.572 0.491 -0.616) 3.658 3.061 ( -2.429 -3.291 -0.467) 4.117 3.114 ( -2.350 -1.015 2.426) 3.526 3.294 ( -3.008 1.764 1.094) 3.654 3.318 ( -3.526 3.000 1.473) 4.858 3.519 ( -1.840 0.467 1.843) 2.646 3.629 ( 0.699 0.963 -1.802) 2.160 3.760 ( 0.031 1.662 -0.697) 1.803 3.778 ( 0.613 -0.598 0.091) 0.861 3.820 ( 0.512 0.934 0.578) 1.212 3.863 ( -2.280 -1.402 -3.361) 4.297 4.013 ( 2.373 -1.938 -0.361) 3.085 4.044 ( -0.328 -1.486 0.060) 1.523 4.168 ( 0.328 1.336 2.525) 2.876 4.238 ( -3.300 -0.532 6.178) 7.025 4.335 ( -0.898 2.868 -0.810) 3.112 4.576 ( 0.298 -4.051 -1.471) 4.320 4.658 ( 2.389 -1.371 -3.425) 4.396 4.687 ( -1.760 -2.258 6.390) 7.002 5.685 ( 0.879 -0.744 -0.086) 1.155 5.704 ( 3.639 -0.384 -1.073) 3.813 5.755 ( -2.766 0.782 2.065) 3.540 5.866 ( -0.626 -0.504 -1.382) 1.599 5.889 ( 1.563 3.122 0.556) 3.535 5.894 ( 1.421 1.584 -3.036) 3.707 6.063 ( -1.256 -2.497 0.822) 2.913 6.112 ( -3.419 -3.108 -4.393) 6.376 6.123 ( -0.878 -0.179 -0.184) 0.915 6.195 ( 0.588 -3.063 2.600) 4.061 6.421 ( -0.258 3.984 -0.954) 4.105 6.579 ( -1.589 -2.177 -2.170) 3.460 6.683 ( -1.238 3.839 -0.903) 4.133 6.837 ( -2.508 -0.361 -1.639) 3.018 7.027 ( -1.049 -0.681 4.322) 4.499 7.131 ( 2.269 -3.550 -0.956) 4.321 7.557 ( -0.048 3.322 1.112) 3.503 7.687 ( 0.302 -1.472 0.427) 1.562 7.744 ( -0.088 0.691 1.540) 1.690 7.784 ( -0.717 -0.105 2.329) 2.439 7.818 ( -2.199 0.827 2.250) 3.253 7.931 ( -0.802 -1.674 0.441) 1.908 8.173 ( -2.664 0.489 1.631) 3.162 8.236 ( 1.849 -0.826 -1.658) 2.617 13.111 ( -0.896 -2.429 -1.110) 2.817 13.159 ( -9.052 -2.545 -0.651) 9.426 13.633 ( -0.495 8.536 -1.922) 8.764 14.199 ( 1.381 -6.817 -9.272) 11.591 15.732 ( -3.924 4.594 0.775) 6.091 15.943 ( -4.680 1.800 -2.915) 5.800 16.585 ( -1.579 -2.006 2.701) 3.717 16.683 ( 1.218 -2.232 -2.222) 3.377 17.003 ( -3.282 1.180 3.557) 4.982 17.083 ( 5.028 -1.049 -4.469) 6.808 18.434 ( -0.501 2.291 4.181) 4.793 18.761 ( 3.691 -6.550 -2.859) 8.044 19.975 ( 2.046 0.404 -0.398) 2.123 20.001 ( 0.331 -0.169 1.642) 1.684 20.320 ( 2.257 0.313 -0.999) 2.488 20.333 ( -0.638 -0.025 1.046) 1.226 21.364 ( -0.509 0.164 -0.853) 1.007 21.379 ( -1.038 -0.171 0.025) 1.052 22.107 ( -2.180 2.101 1.424) 3.346 22.299 ( -1.558 -2.640 -3.027) 4.308 22.875 ( 2.199 2.172 -0.651) 3.159 23.059 ( -0.134 -2.991 -0.067) 2.995 23.223 ( 0.041 -0.848 1.097) 1.387 23.234 ( 0.250 -0.656 0.488) 0.855 45.622 ( -1.503 1.155 1.296) 2.296 45.657 ( 0.643 0.623 -1.039) 1.371 46.550 ( -1.718 -2.483 -1.874) 3.554 46.610 ( -3.166 -4.091 -0.672) 5.217 46.831 ( 2.492 4.287 0.991) 5.056 46.874 ( -0.461 3.097 1.577) 3.506 47.630 ( 0.786 0.146 0.701) 1.063 47.703 ( 3.418 -1.537 -2.441) 4.472 95.570 ( 1.022 1.045 0.682) 1.613 95.695 ( 2.014 -2.777 0.270) 3.441 95.915 ( 2.402 3.484 1.058) 4.362 95.997 ( 1.335 1.101 -0.235) 1.746 96.097 ( -1.359 -1.155 1.382) 2.256 96.189 ( 0.264 3.445 -0.115) 3.457 96.303 ( 1.784 -2.920 -6.655) 7.483 96.540 ( -2.247 -6.365 1.177) 6.852 98.500 ( -1.379 2.677 1.575) 3.398 98.609 ( 3.157 -0.499 -3.062) 4.426 99.314 ( -0.973 3.040 -2.978) 4.365 99.602 ( -10.208 -4.314 2.627) 11.389 104.724 ( -0.629 1.134 -0.072) 1.299 104.733 ( -0.151 0.420 -0.329) 0.555 104.859 ( 1.595 0.209 -0.009) 1.608 104.891 ( -1.246 -0.359 2.663) 2.962 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 9.935 4.050 -0.068) 10.729 1.332 ( -1.131 -0.707 3.308) 3.567 1.383 ( 13.143 5.738 6.808) 15.875 1.539 ( -0.483 -1.645 2.584) 3.101 1.543 ( -7.886 -1.858 6.760) 10.551 1.692 ( -8.490 1.201 6.404) 10.702 1.767 ( 9.627 -2.833 0.990) 10.084 1.993 ( 2.310 -6.210 0.236) 6.630 2.118 ( 6.071 0.053 -12.894) 14.252 2.189 ( 1.613 1.587 -9.632) 9.894 2.467 ( -5.571 3.532 -6.714) 9.412 2.658 ( -0.707 -1.866 -1.345) 2.407 2.717 ( -1.318 -0.307 -2.119) 2.515 2.792 ( 0.519 -0.083 -0.215) 0.568 2.846 ( 0.878 1.836 -1.143) 2.334 2.886 ( -2.179 3.034 -2.273) 4.373 2.966 ( -0.300 -0.460 3.416) 3.460 2.983 ( 2.509 -0.377 -1.521) 2.958 3.075 ( -0.532 -1.003 2.537) 2.780 3.099 ( -1.968 -0.507 1.099) 2.310 3.287 ( -3.179 1.904 4.203) 5.603 3.327 ( 1.626 2.734 1.579) 3.551 3.520 ( -0.506 -0.592 1.009) 1.275 3.599 ( -1.171 0.040 -1.860) 2.198 3.734 ( -1.425 -0.676 -3.212) 3.578 3.765 ( -1.205 1.714 -2.127) 2.986 3.800 ( 0.359 -0.596 1.335) 1.505 3.833 ( 1.053 1.461 -1.540) 2.370 4.022 ( -1.834 -0.698 -0.407) 2.004 4.050 ( 2.008 -0.784 -0.377) 2.188 4.205 ( -1.022 1.551 3.155) 3.661 4.271 ( -2.422 -0.090 4.095) 4.759 4.313 ( 0.568 2.060 -1.235) 2.468 4.568 ( 0.124 -4.026 0.966) 4.142 4.600 ( -0.655 -1.844 -6.107) 6.413 4.711 ( -2.323 -4.161 1.911) 5.135 5.695 ( 1.092 -0.659 0.063) 1.278 5.724 ( -3.445 0.085 0.993) 3.586 5.742 ( 2.010 -2.245 -0.973) 3.167 5.826 ( 0.051 -1.252 -3.391) 3.615 5.857 ( -1.075 2.282 -1.154) 2.774 5.921 ( 1.973 4.183 -1.407) 4.834 6.024 ( -0.816 -1.613 0.238) 1.824 6.076 ( -0.420 -0.812 -0.047) 0.916 6.156 ( 2.369 -0.461 3.090) 3.921 6.251 ( -0.239 -3.184 3.623) 4.829 6.394 ( -0.532 2.515 -2.033) 3.277 6.512 ( -1.287 -1.789 -4.960) 5.427 6.672 ( 0.035 3.997 1.167) 4.164 6.781 ( -2.272 0.474 -0.885) 2.484 7.070 ( -0.914 -1.253 3.643) 3.959 7.143 ( 2.156 -3.584 -1.861) 4.578 7.579 ( 0.248 3.032 1.935) 3.606 7.704 ( 0.540 -1.392 0.623) 1.618 7.742 ( -0.567 0.856 -0.826) 1.318 7.793 ( -3.025 -0.736 2.586) 4.047 7.835 ( -0.360 0.968 2.682) 2.874 7.921 ( -0.778 -0.994 -0.135) 1.270 8.173 ( -1.230 0.651 2.581) 2.933 8.245 ( 1.812 -0.961 -1.197) 2.375 13.037 ( -4.833 -0.831 -0.421) 4.922 13.094 ( 0.307 -2.196 -1.508) 2.682 13.612 ( 0.097 5.706 -0.237) 5.712 14.030 ( -2.286 -5.342 -12.551) 13.831 15.702 ( -1.882 4.452 1.130) 4.964 15.833 ( -4.013 2.780 -3.016) 5.738 16.566 ( -2.278 -1.753 -0.047) 2.874 16.639 ( -1.095 -2.439 -3.479) 4.388 16.998 ( -3.817 0.914 3.322) 5.142 17.088 ( 4.506 -1.521 -4.960) 6.872 18.479 ( -2.092 1.912 5.011) 5.757 18.729 ( 2.206 -4.612 -6.554) 8.312 20.014 ( 2.523 0.065 0.579) 2.589 20.030 ( 0.028 -0.278 1.754) 1.776 20.335 ( -0.815 0.188 0.769) 1.136 20.337 ( 1.418 0.155 -0.607) 1.551 21.350 ( -0.331 0.551 -0.193) 0.671 21.367 ( -0.538 0.231 -0.153) 0.605 22.140 ( 0.575 0.404 3.691) 3.757 22.256 ( 0.066 -2.263 -1.579) 2.760 22.902 ( 2.339 1.562 -0.274) 2.826 23.028 ( -1.847 -1.950 -1.811) 3.240 23.240 ( -0.768 -0.282 2.137) 2.288 23.258 ( 1.496 -0.639 0.564) 1.722 45.621 ( -1.348 1.413 1.467) 2.442 45.653 ( 0.860 0.865 -1.134) 1.666 46.517 ( -0.047 -2.948 -0.784) 3.051 46.563 ( -2.085 -4.592 -0.614) 5.080 46.882 ( 2.297 4.389 0.926) 5.040 46.895 ( -0.350 3.541 1.898) 4.032 47.648 ( 0.159 -0.119 0.871) 0.894 47.709 ( 2.192 -1.489 -2.625) 3.730 95.619 ( 2.149 0.990 2.558) 3.484 95.732 ( 1.591 -2.295 0.557) 2.847 95.973 ( 1.093 3.849 2.452) 4.693 96.007 ( 0.183 0.724 1.097) 1.327 96.090 ( -0.651 -1.339 -0.704) 1.647 96.194 ( 0.272 3.073 -1.199) 3.310 96.274 ( 4.353 -3.663 -2.481) 6.206 96.495 ( -3.394 -5.458 -1.419) 6.582 98.506 ( -1.271 2.291 2.000) 3.296 98.603 ( 2.254 -0.431 -3.463) 4.155 99.279 ( 0.605 2.253 -1.430) 2.736 99.459 ( -8.698 -2.235 -1.575) 9.118 104.717 ( -0.369 1.244 0.117) 1.303 104.727 ( 0.034 0.677 -0.389) 0.781 104.885 ( 1.913 -0.251 -0.034) 1.929 104.902 ( -1.914 -0.487 2.100) 2.883 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 5.998 2.253 3.345) 7.228 1.235 ( -6.869 2.418 -2.315) 7.641 1.459 ( -14.034 0.676 10.899) 17.781 1.569 ( -7.985 -4.919 7.417) 11.957 1.693 ( 4.835 -2.456 -0.504) 5.447 1.743 ( 13.038 2.331 0.030) 13.245 1.921 ( 3.437 -3.616 0.749) 5.044 2.045 ( 5.433 0.255 4.616) 7.134 2.070 ( 2.001 -1.138 -10.008) 10.270 2.115 ( 0.429 -1.310 -0.019) 1.378 2.303 ( 2.169 6.241 -3.617) 7.532 2.412 ( -13.885 0.455 -11.458) 18.007 2.723 ( 1.575 -0.876 0.347) 1.835 2.759 ( -0.530 -0.697 -3.080) 3.202 2.838 ( -1.290 3.063 0.783) 3.414 2.857 ( 0.569 1.668 -0.612) 1.866 3.023 ( 0.538 -0.379 3.384) 3.448 3.051 ( 3.487 -0.392 1.784) 3.937 3.074 ( -0.333 -0.494 -0.019) 0.596 3.096 ( -1.382 0.089 -0.213) 1.401 3.311 ( -1.810 2.322 4.044) 5.002 3.369 ( 2.841 1.773 -1.117) 3.530 3.532 ( 1.427 -1.756 -0.146) 2.268 3.546 ( -1.817 -0.741 -1.864) 2.707 3.691 ( -0.724 0.598 1.610) 1.863 3.747 ( 0.628 1.330 -2.216) 2.660 3.800 ( -1.507 -1.100 0.107) 1.869 3.825 ( 1.463 -0.509 -1.933) 2.477 4.005 ( -0.793 1.969 1.492) 2.594 4.045 ( -0.247 1.643 -1.693) 2.372 4.226 ( -1.685 1.639 3.028) 3.834 4.272 ( 0.264 2.071 -0.971) 2.303 4.345 ( 0.361 -1.139 4.622) 4.774 4.487 ( -1.211 -2.508 -7.091) 7.618 4.618 ( 1.432 -4.559 3.821) 6.118 4.687 ( -0.459 -4.826 -2.111) 5.287 5.692 ( -3.224 -1.103 2.079) 3.992 5.718 ( 1.813 -1.268 -0.201) 2.222 5.741 ( -0.413 -0.408 -0.287) 0.648 5.781 ( 0.783 -1.529 -3.199) 3.631 5.848 ( -0.582 2.035 1.248) 2.457 5.904 ( 1.766 2.194 -3.902) 4.813 6.049 ( 0.230 -0.923 1.938) 2.159 6.068 ( -0.498 -0.513 -0.167) 0.734 6.256 ( 2.943 0.209 5.100) 5.892 6.294 ( -0.885 -0.575 4.051) 4.186 6.343 ( -2.151 1.061 -2.941) 3.795 6.411 ( 0.039 -0.937 -6.791) 6.855 6.707 ( 0.749 2.507 2.254) 3.454 6.744 ( -0.730 1.332 -1.272) 1.981 7.097 ( -1.351 -1.601 2.528) 3.283 7.145 ( 1.961 -3.175 -2.198) 4.331 7.621 ( 0.815 2.307 2.806) 3.723 7.677 ( -1.448 1.024 -2.242) 2.859 7.761 ( 1.828 -1.321 1.435) 2.673 7.771 ( -2.739 -1.246 0.770) 3.105 7.869 ( -0.350 1.169 2.548) 2.826 7.904 ( -0.582 0.215 -0.798) 1.010 8.201 ( -0.514 0.128 2.650) 2.702 8.246 ( 0.947 -0.880 -1.732) 2.161 13.010 ( -0.773 0.544 2.163) 2.360 13.073 ( 1.699 -0.729 -3.583) 4.032 13.648 ( 0.729 0.607 5.039) 5.127 13.814 ( -3.289 -3.249 -10.794) 11.742 15.711 ( 0.142 4.385 1.987) 4.816 15.751 ( -1.718 3.566 -2.112) 4.487 16.542 ( -1.548 -1.770 1.218) 2.648 16.571 ( -2.269 -2.279 -1.742) 3.657 16.988 ( -4.369 0.816 3.977) 5.964 17.082 ( 4.110 -1.534 -4.826) 6.522 18.518 ( -3.298 0.850 6.453) 7.296 18.666 ( 2.794 -2.817 -7.348) 8.351 20.043 ( -1.015 -0.061 0.976) 1.409 20.053 ( 1.876 -0.304 -0.036) 1.901 20.332 ( -0.982 0.267 0.695) 1.232 20.344 ( 0.681 0.008 -0.524) 0.859 21.349 ( -0.098 0.708 0.447) 0.843 21.358 ( -0.287 0.571 -0.323) 0.716 22.194 ( -0.653 -0.887 3.304) 3.483 22.242 ( 0.437 -1.965 -1.570) 2.552 22.940 ( 2.712 0.453 0.412) 2.780 22.970 ( -1.464 -0.318 -2.425) 2.850 23.255 ( -1.519 -0.072 2.115) 2.605 23.283 ( 1.458 -0.753 -0.425) 1.695 45.622 ( -1.306 1.607 1.490) 2.551 45.651 ( 1.300 0.940 -1.302) 2.066 46.519 ( -0.428 -3.868 0.420) 3.914 46.534 ( 0.689 -3.908 -1.015) 4.096 46.906 ( -1.289 3.887 1.350) 4.312 46.921 ( 1.540 3.984 0.003) 4.272 47.659 ( -0.864 -0.443 1.367) 1.677 47.697 ( 0.889 -1.269 -2.294) 2.769 95.691 ( 1.818 0.626 2.803) 3.399 95.737 ( -0.552 -0.442 -1.435) 1.600 96.001 ( -0.651 0.178 2.342) 2.437 96.046 ( 0.293 1.315 1.253) 1.840 96.067 ( -1.020 -0.190 0.658) 1.229 96.163 ( 1.827 2.716 -4.873) 5.871 96.341 ( 2.404 -4.943 2.659) 6.106 96.411 ( -2.280 -3.521 -3.216) 5.285 98.519 ( -1.372 1.575 2.608) 3.342 98.581 ( 1.400 0.062 -3.358) 3.639 99.297 ( 2.617 0.758 0.878) 2.862 99.328 ( -5.146 0.063 -1.681) 5.414 104.715 ( -0.214 1.057 0.261) 1.110 104.723 ( 0.323 1.043 -0.435) 1.175 104.895 ( -2.194 -0.332 1.365) 2.605 104.915 ( 2.367 -0.698 -0.482) 2.514 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -11.951 4.067 -1.860) 12.761 1.315 ( 3.642 -0.096 2.660) 4.511 1.412 ( -15.874 0.195 12.911) 20.463 1.514 ( -11.514 -0.645 3.065) 11.933 1.714 ( 4.777 -5.221 -6.735) 9.770 1.785 ( 0.790 -0.728 -7.483) 7.559 1.844 ( -12.197 0.663 3.263) 12.643 1.927 ( 2.341 -0.423 -11.038) 11.291 2.065 ( -6.785 0.412 -5.812) 8.943 2.129 ( 4.109 3.154 -0.092) 5.180 2.303 ( 8.381 2.116 8.797) 12.334 2.512 ( 9.129 -1.688 10.554) 14.056 2.716 ( -0.411 -0.851 -1.518) 1.788 2.759 ( 1.029 -1.833 1.637) 2.664 2.832 ( -0.575 2.459 0.820) 2.655 2.870 ( 1.493 2.810 -0.198) 3.189 3.009 ( -3.189 0.578 -3.022) 4.431 3.041 ( 0.033 -0.319 -3.057) 3.073 3.080 ( 0.549 -0.940 1.219) 1.634 3.133 ( 2.740 -1.666 -0.153) 3.210 3.329 ( -0.340 3.160 0.043) 3.178 3.385 ( 3.957 1.399 -3.470) 5.445 3.511 ( -0.838 -0.817 0.508) 1.276 3.571 ( 2.388 -1.092 1.265) 2.915 3.703 ( -0.488 0.570 -0.354) 0.830 3.737 ( 0.827 0.476 0.288) 0.996 3.778 ( -1.754 0.239 2.188) 2.814 3.835 ( 1.554 -1.481 -1.135) 2.428 4.010 ( -0.714 1.825 0.844) 2.134 4.042 ( 0.641 3.109 0.673) 3.245 4.243 ( -0.873 1.361 1.191) 2.008 4.269 ( 1.260 2.819 -0.108) 3.089 4.376 ( -1.125 -3.419 -4.050) 5.418 4.445 ( 0.460 0.058 6.563) 6.579 4.640 ( 0.995 -4.439 -4.533) 6.422 4.704 ( 3.484 -5.346 2.702) 6.930 5.683 ( -2.151 -1.690 1.937) 3.352 5.722 ( -1.299 0.437 0.016) 1.370 5.747 ( 1.775 -2.611 -0.026) 3.157 5.773 ( 1.214 -0.610 0.091) 1.362 5.865 ( -0.618 2.476 2.294) 3.431 5.881 ( 1.997 1.895 -2.883) 3.986 6.045 ( -1.214 -0.308 -0.691) 1.431 6.073 ( 0.230 -1.134 0.470) 1.249 6.241 ( -3.205 0.385 -4.737) 5.732 6.328 ( -0.105 -0.392 -1.452) 1.508 6.344 ( 0.078 -0.264 0.514) 0.583 6.387 ( 2.819 -0.026 5.762) 6.415 6.708 ( -0.639 2.196 -1.649) 2.819 6.760 ( 2.074 1.391 1.277) 2.805 7.103 ( -1.957 -1.694 1.955) 3.244 7.136 ( 1.521 -2.562 -2.841) 4.117 7.622 ( -1.098 1.590 -1.741) 2.601 7.682 ( 0.995 1.402 2.265) 2.844 7.737 ( -1.503 -0.865 -0.227) 1.748 7.815 ( 2.614 -1.685 0.888) 3.234 7.878 ( -0.745 0.586 -0.912) 1.315 7.899 ( 0.044 0.681 1.469) 1.619 8.216 ( -1.496 -0.312 1.117) 1.893 8.227 ( 0.492 -0.482 -1.961) 2.078 13.052 ( 1.696 0.303 1.116) 2.053 13.058 ( 3.081 0.060 -1.782) 3.560 13.654 ( -2.703 -0.096 -4.592) 5.329 13.782 ( 1.522 -3.063 10.581) 11.120 15.717 ( 0.107 3.639 -0.388) 3.661 15.773 ( 2.974 4.153 2.748) 5.800 16.540 ( -1.781 -2.400 2.042) 3.620 16.559 ( -1.341 -2.011 3.884) 4.574 16.983 ( -4.689 0.742 4.867) 6.799 17.077 ( 3.930 -1.356 -4.183) 5.897 18.571 ( -3.132 -1.012 8.077) 8.722 18.605 ( 2.434 -1.484 -6.827) 7.398 20.024 ( -2.035 0.193 -0.246) 2.059 20.063 ( 0.729 -0.692 -1.360) 1.691 20.325 ( -1.384 0.366 0.654) 1.574 20.346 ( 0.434 -0.077 -0.318) 0.543 21.349 ( -0.325 0.687 -0.050) 0.762 21.359 ( 0.352 0.503 0.549) 0.824 22.206 ( -1.342 -1.455 -2.486) 3.177 22.214 ( -1.872 -1.439 2.239) 3.255 22.921 ( -0.674 0.905 -2.159) 2.436 22.997 ( 3.338 -1.445 1.082) 3.795 23.251 ( -2.059 -0.019 1.225) 2.397 23.285 ( 0.760 -0.877 -1.790) 2.133 45.624 ( -1.070 1.580 1.288) 2.302 45.654 ( 1.560 0.965 -1.361) 2.284 46.508 ( -0.484 -3.172 0.167) 3.213 46.559 ( 2.763 -4.162 -0.292) 5.004 46.889 ( -2.562 4.065 0.308) 4.815 46.927 ( 0.358 3.646 -1.129) 3.833 47.661 ( -2.002 -0.745 1.860) 2.833 47.674 ( -0.109 -0.934 -1.559) 1.820 95.680 ( -2.170 0.732 -3.073) 3.832 95.733 ( -0.119 -0.459 0.795) 0.925 96.017 ( -0.817 -0.312 -0.018) 0.875 96.039 ( 0.685 -1.055 -0.542) 1.370 96.086 ( -1.819 1.654 1.265) 2.765 96.121 ( 0.783 2.669 -1.527) 3.173 96.300 ( -4.221 -2.689 -1.963) 5.376 96.448 ( 3.814 -6.010 2.315) 7.485 98.536 ( -1.810 0.847 2.957) 3.569 98.554 ( 1.019 0.773 -2.718) 3.003 99.263 ( -2.063 2.391 0.118) 3.160 99.392 ( 5.551 -0.994 4.137) 6.994 104.717 ( -0.059 0.924 0.262) 0.962 104.725 ( 0.610 1.307 -0.345) 1.484 104.878 ( -1.973 0.183 0.712) 2.105 104.939 ( 2.565 -0.948 -1.366) 3.057 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -12.800 6.018 0.959) 14.176 1.165 ( -19.422 9.242 -6.148) 22.370 1.344 ( -3.769 -4.978 1.539) 6.431 1.433 ( -6.190 0.349 5.580) 8.341 1.591 ( -8.570 -2.441 0.515) 8.926 1.776 ( -3.021 0.576 6.857) 7.515 1.796 ( -1.565 0.359 4.771) 5.034 1.900 ( -1.109 -5.458 1.912) 5.888 1.977 ( 6.213 1.506 -7.332) 9.728 2.191 ( 2.936 1.957 0.598) 3.579 2.514 ( 5.210 0.552 4.670) 7.018 2.653 ( -1.003 -2.785 -1.120) 3.165 2.732 ( 1.522 -1.872 0.725) 2.519 2.795 ( 0.672 -2.412 0.908) 2.663 2.849 ( 1.509 2.263 -0.294) 2.735 2.894 ( 0.763 4.343 1.000) 4.522 2.931 ( -2.170 1.005 0.801) 2.522 3.001 ( 1.152 -0.690 -3.108) 3.385 3.097 ( -0.184 -2.707 -0.724) 2.809 3.137 ( 1.814 -1.486 -1.297) 2.680 3.302 ( 0.113 3.267 -2.452) 4.086 3.396 ( 5.250 2.220 -4.107) 7.026 3.525 ( 0.364 -0.972 1.322) 1.681 3.610 ( 0.919 0.346 0.002) 0.982 3.728 ( -0.075 -0.882 1.561) 1.794 3.768 ( 1.800 -0.557 4.320) 4.713 3.789 ( -1.601 1.066 0.518) 1.992 3.833 ( 1.879 1.093 -0.748) 2.299 4.025 ( -0.918 0.800 0.112) 1.223 4.043 ( 0.709 1.510 -0.459) 1.730 4.227 ( 0.171 0.675 -2.178) 2.286 4.302 ( 0.699 3.425 1.425) 3.775 4.331 ( 1.099 -3.436 -1.852) 4.055 4.540 ( -1.606 1.838 6.878) 7.298 4.600 ( 2.166 -3.561 -4.111) 5.854 4.788 ( 5.527 -5.132 -1.646) 7.720 5.675 ( -1.444 -1.555 0.822) 2.276 5.695 ( -2.455 -0.521 0.012) 2.509 5.782 ( 2.410 -1.930 0.223) 3.095 5.806 ( 0.484 -0.382 2.367) 2.446 5.881 ( 1.603 2.400 -0.799) 2.994 5.892 ( -0.333 3.490 0.795) 3.595 6.027 ( 0.237 -0.779 1.478) 1.688 6.079 ( -0.041 -1.317 0.237) 1.339 6.143 ( -1.907 -0.163 -2.575) 3.209 6.265 ( -1.533 -3.557 -4.058) 5.610 6.378 ( -0.424 2.639 3.033) 4.042 6.504 ( 1.848 -1.358 5.106) 5.597 6.682 ( 0.447 3.539 -1.051) 3.719 6.811 ( 2.327 0.460 1.184) 2.651 7.097 ( -1.888 -1.971 0.986) 2.902 7.113 ( 1.259 -1.747 -2.765) 3.504 7.589 ( -0.137 2.391 -1.755) 2.970 7.694 ( -0.872 -1.451 0.107) 1.696 7.741 ( 0.261 1.488 0.938) 1.779 7.845 ( 0.921 -1.298 -2.538) 2.995 7.858 ( 1.508 -0.316 -0.575) 1.644 7.918 ( -0.320 -0.333 1.294) 1.374 8.198 ( -1.457 -0.370 0.252) 1.524 8.215 ( 0.462 -0.155 -0.747) 0.892 13.093 ( 2.732 -0.847 0.398) 2.888 13.130 ( 6.689 -1.179 1.807) 7.029 13.599 ( -1.234 4.139 0.738) 4.381 13.967 ( -0.162 -5.151 12.636) 13.646 15.735 ( 2.300 3.574 0.390) 4.268 15.876 ( 4.365 3.628 3.565) 6.702 16.571 ( -0.618 -3.802 3.812) 5.419 16.604 ( -1.451 -2.171 5.192) 5.812 16.982 ( -5.038 0.807 5.107) 7.219 17.080 ( 3.928 -0.964 -3.757) 5.520 18.541 ( 1.271 -0.516 -6.036) 6.190 18.655 ( -1.638 -4.826 7.756) 9.280 19.982 ( -2.294 0.444 -0.852) 2.487 20.041 ( -0.128 -0.968 -2.154) 2.365 20.304 ( -2.523 0.723 0.472) 2.667 20.348 ( 0.318 -0.277 -0.311) 0.524 21.348 ( -0.234 0.557 0.590) 0.844 21.375 ( 0.812 -0.023 0.436) 0.922 22.136 ( -2.228 0.215 -1.982) 2.990 22.227 ( -1.833 -1.805 3.798) 4.587 22.887 ( -0.190 1.662 -1.823) 2.475 23.056 ( 2.474 -4.070 0.384) 4.779 23.233 ( -1.846 -0.080 0.580) 1.936 23.258 ( -0.280 -0.898 -2.163) 2.358 45.628 ( -0.594 1.387 1.048) 1.838 45.658 ( 1.474 0.932 -1.379) 2.223 46.520 ( 1.259 -2.144 0.904) 2.645 46.602 ( 3.320 -4.004 0.085) 5.202 46.844 ( -3.255 4.250 -0.238) 5.358 46.906 ( -0.383 3.058 -1.416) 3.392 47.646 ( -1.277 -0.789 -0.313) 1.533 47.655 ( -2.420 -0.706 1.444) 2.905 95.605 ( -1.859 0.912 -2.623) 3.342 95.712 ( -1.753 -1.953 -1.156) 2.867 95.969 ( -2.575 1.903 -4.807) 5.776 96.000 ( -1.597 0.416 -0.421) 1.703 96.089 ( -0.004 0.339 1.699) 1.732 96.161 ( -0.654 0.520 5.271) 5.337 96.223 ( -2.339 -0.632 -1.649) 2.931 96.530 ( 2.548 -8.361 2.183) 9.009 98.536 ( 0.970 1.298 -1.818) 2.435 98.546 ( -2.354 0.458 2.757) 3.654 99.264 ( -0.025 4.597 1.803) 4.938 99.578 ( 9.796 -3.993 5.151) 11.766 104.723 ( 0.276 0.884 0.314) 0.978 104.730 ( 0.776 1.356 -0.331) 1.597 104.858 ( -1.479 0.963 0.179) 1.774 104.947 ( 2.106 -0.847 -2.560) 3.422 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -5.066 8.597 10.840) 14.734 0.884 ( -11.860 14.517 2.568) 18.921 1.324 ( -3.177 -3.410 4.822) 6.706 1.413 ( -2.856 0.135 1.295) 3.139 1.513 ( -6.358 -3.159 3.320) 7.837 1.826 ( 5.127 -6.427 -3.872) 9.087 1.881 ( -9.380 0.624 18.610) 20.849 1.932 ( -0.301 -3.152 3.880) 5.008 2.015 ( 6.309 2.706 -1.174) 6.965 2.236 ( 1.150 3.090 1.454) 3.603 2.548 ( -3.839 0.752 -1.843) 4.324 2.601 ( 0.123 -4.183 -3.138) 5.231 2.715 ( -1.164 0.061 -2.751) 2.988 2.769 ( -0.067 -1.591 -3.414) 3.767 2.850 ( -0.301 0.529 -1.680) 1.787 2.918 ( -1.132 4.468 3.600) 5.848 2.932 ( -1.265 0.790 0.215) 1.507 2.965 ( 0.622 -0.073 -3.862) 3.912 3.103 ( 3.084 -2.891 0.451) 4.251 3.162 ( 1.617 -2.309 -0.659) 2.895 3.302 ( 1.273 2.657 0.844) 3.065 3.430 ( 6.018 3.709 -3.259) 7.785 3.552 ( 1.570 -1.620 0.022) 2.256 3.608 ( -0.852 0.680 -0.283) 1.126 3.742 ( -0.479 -0.272 1.937) 2.013 3.763 ( -1.702 0.752 0.457) 1.916 3.817 ( 0.460 1.075 -0.123) 1.175 3.901 ( 3.949 -2.170 1.334) 4.699 3.981 ( -1.771 0.680 -1.482) 2.408 4.044 ( -0.601 -0.257 -0.473) 0.807 4.194 ( 0.765 0.130 -3.498) 3.583 4.300 ( 0.597 0.160 -2.396) 2.474 4.354 ( 1.951 0.161 0.521) 2.026 4.573 ( -4.351 2.328 3.784) 6.218 4.585 ( 1.292 -2.880 -2.245) 3.873 4.767 ( 1.140 -2.998 -8.978) 9.534 5.636 ( -3.952 -0.645 -0.231) 4.011 5.685 ( 0.405 -0.001 0.767) 0.867 5.803 ( 0.697 -0.969 -1.640) 2.028 5.841 ( -0.523 0.236 1.949) 2.032 5.865 ( -1.362 2.480 0.134) 2.833 5.896 ( 1.356 1.417 -0.497) 2.023 6.075 ( -0.253 -1.741 -0.714) 1.899 6.124 ( 0.006 -3.015 1.003) 3.178 6.138 ( 2.824 -2.128 4.507) 5.728 6.201 ( 1.483 -1.467 0.881) 2.265 6.414 ( 0.275 4.601 2.459) 5.224 6.583 ( 1.083 -2.283 3.306) 4.161 6.700 ( 1.743 3.425 0.869) 3.940 6.856 ( 1.181 -0.182 1.273) 1.746 7.068 ( 0.343 -1.679 -3.004) 3.459 7.100 ( -0.651 -1.526 -0.500) 1.733 7.565 ( -0.099 2.671 -1.288) 2.967 7.687 ( -0.083 -1.691 -0.092) 1.695 7.742 ( -0.643 0.995 -0.399) 1.251 7.812 ( 0.484 -0.749 -3.107) 3.232 7.868 ( 1.993 -0.589 -1.873) 2.798 7.926 ( -0.925 -0.765 1.150) 1.662 8.187 ( -1.870 -0.060 2.009) 2.746 8.225 ( 2.038 -0.558 -0.751) 2.243 13.132 ( 2.597 -0.051 0.103) 2.599 13.295 ( 9.541 -3.470 1.234) 10.227 13.634 ( 2.308 4.880 3.616) 6.498 14.095 ( -4.620 -6.349 9.476) 12.306 15.793 ( 4.160 3.777 0.885) 5.688 15.984 ( 3.207 3.654 3.195) 5.817 16.585 ( -3.908 -4.154 2.226) 6.122 16.639 ( -1.516 -4.027 0.700) 4.360 16.976 ( -5.012 1.554 4.853) 7.148 17.087 ( 4.343 -0.068 -4.163) 6.016 18.476 ( 1.003 -0.358 -5.313) 5.419 18.680 ( -5.738 -8.510 1.179) 10.331 19.948 ( -1.151 0.735 0.273) 1.392 20.009 ( -0.018 -0.738 -1.859) 2.000 20.272 ( -2.977 1.190 1.481) 3.531 20.346 ( 0.351 -0.643 -0.565) 0.925 21.360 ( 0.019 0.288 1.394) 1.423 21.395 ( 1.217 -0.578 0.330) 1.387 22.144 ( 3.855 1.545 2.881) 5.054 22.272 ( -1.473 -1.662 5.917) 6.320 22.866 ( 0.712 1.891 -1.575) 2.562 23.058 ( -1.383 -5.014 -1.477) 5.407 23.213 ( -1.393 -0.447 0.037) 1.464 23.236 ( -0.037 -1.301 -0.105) 1.306 45.635 ( -0.345 1.175 0.933) 1.539 45.659 ( 1.252 0.708 -1.261) 1.912 46.570 ( 2.657 -1.536 1.870) 3.594 46.661 ( 3.983 -2.823 0.404) 4.898 46.792 ( -3.156 4.133 -0.104) 5.201 46.885 ( -0.013 1.733 -0.833) 1.923 47.623 ( -0.889 -0.574 -0.509) 1.174 47.636 ( -3.196 -0.629 1.783) 3.713 95.565 ( -0.148 0.927 -0.614) 1.122 95.671 ( -1.409 -2.148 -0.607) 2.640 95.875 ( -3.677 2.855 -0.648) 4.701 95.971 ( -2.063 -0.146 0.005) 2.068 96.114 ( 0.559 0.419 1.255) 1.436 96.184 ( -0.357 2.567 -0.517) 2.643 96.239 ( -0.889 -1.905 6.656) 6.980 96.579 ( 2.144 -9.338 -0.429) 9.590 98.530 ( 1.228 1.489 -1.309) 2.332 98.544 ( -2.877 0.466 2.460) 3.814 99.307 ( 0.770 5.456 3.366) 6.457 99.772 ( 10.252 -7.690 -1.589) 12.914 104.732 ( 0.344 0.541 0.361) 0.736 104.738 ( 0.887 1.264 -0.325) 1.578 104.838 ( -1.104 1.632 -0.265) 1.988 104.930 ( 1.327 -0.543 -3.330) 3.626 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -3.519 12.007 10.637) 16.422 1.030 ( 8.520 7.604 19.108) 22.261 1.325 ( -3.493 2.841 -0.915) 4.595 1.447 ( 2.441 -2.822 4.407) 5.774 1.512 ( -1.782 -5.841 7.606) 9.754 1.820 ( 3.746 -7.126 -6.064) 10.079 1.956 ( 3.078 -0.207 -5.212) 6.056 2.015 ( -1.963 -1.193 10.160) 10.417 2.123 ( -5.734 2.934 15.477) 16.764 2.254 ( -1.451 3.900 0.214) 4.167 2.419 ( -6.496 0.787 -4.022) 7.681 2.538 ( 0.810 -2.828 -5.288) 6.051 2.643 ( -2.328 2.739 -1.586) 3.929 2.716 ( -0.197 -0.247 -4.044) 4.057 2.816 ( -0.059 -1.320 -1.893) 2.308 2.850 ( -2.852 -1.961 -3.460) 4.894 2.960 ( -1.081 2.529 3.861) 4.740 2.990 ( 2.209 1.838 0.504) 2.918 3.156 ( 2.255 -2.163 -0.540) 3.171 3.166 ( 2.619 -1.419 -1.634) 3.397 3.333 ( 0.367 1.982 1.298) 2.398 3.475 ( 5.640 4.370 -2.743) 7.644 3.552 ( -0.053 -2.350 -2.222) 3.235 3.580 ( -0.979 1.059 -1.586) 2.144 3.754 ( -2.011 -0.711 1.834) 2.812 3.772 ( -1.281 0.971 3.069) 3.465 3.809 ( 1.696 1.057 -2.248) 3.008 3.923 ( 1.210 -2.994 -3.706) 4.916 3.953 ( -2.372 -1.552 2.488) 3.772 4.043 ( 0.654 -0.987 0.939) 1.511 4.149 ( 0.358 -0.031 -3.830) 3.847 4.261 ( 0.333 0.146 -3.956) 3.972 4.394 ( 2.657 -0.204 0.367) 2.690 4.524 ( -6.540 1.929 1.553) 6.993 4.561 ( -0.472 -2.914 -2.270) 3.724 4.626 ( -1.061 -0.538 -7.896) 7.985 5.587 ( -2.923 1.248 1.340) 3.449 5.712 ( 1.095 -1.049 0.823) 1.725 5.763 ( -0.631 1.249 -2.602) 2.955 5.851 ( -0.953 0.053 1.340) 1.645 5.864 ( 0.017 0.042 0.174) 0.180 5.908 ( 0.644 0.637 -0.317) 0.959 6.038 ( -2.345 -3.472 -1.060) 4.321 6.100 ( -0.501 -3.061 -1.283) 3.356 6.211 ( 1.601 0.971 4.187) 4.587 6.325 ( 2.782 -1.741 2.118) 3.906 6.488 ( 5.314 3.774 3.248) 7.282 6.635 ( 0.118 -1.476 2.446) 2.859 6.745 ( 1.661 1.967 1.626) 3.045 6.877 ( -0.982 -0.974 1.306) 1.902 7.028 ( 1.213 -0.627 -4.121) 4.341 7.070 ( -1.347 -1.037 -1.599) 2.334 7.558 ( 0.705 1.937 -0.042) 2.062 7.673 ( -1.170 -1.776 -1.400) 2.546 7.723 ( -0.177 0.706 -0.379) 0.820 7.778 ( 0.095 -0.135 -2.212) 2.218 7.873 ( 1.645 -0.075 -1.092) 1.975 7.920 ( -1.471 -0.373 0.386) 1.566 8.199 ( -1.284 -0.117 2.729) 3.018 8.245 ( 1.987 -1.018 -0.937) 2.421 13.182 ( 2.776 2.226 1.324) 3.797 13.376 ( 2.650 1.063 -2.774) 3.981 13.776 ( 9.511 -2.759 2.740) 10.275 14.086 ( -9.696 -6.775 4.623) 12.699 15.885 ( 6.044 4.140 1.499) 7.478 16.053 ( 0.014 4.689 2.741) 5.432 16.511 ( -5.307 -5.252 -2.452) 7.859 16.556 ( -7.707 -2.953 -1.038) 8.318 16.978 ( -4.054 2.308 4.828) 6.713 17.087 ( 4.259 0.878 -4.818) 6.491 18.433 ( 3.051 -1.239 -4.459) 5.543 18.533 ( -11.354 -5.367 -0.632) 12.575 19.949 ( -0.280 0.687 0.812) 1.100 19.990 ( 0.536 0.129 -1.524) 1.620 20.272 ( -1.138 0.479 2.594) 2.873 20.343 ( 0.544 -0.928 -0.939) 1.428 21.387 ( 0.232 0.077 1.864) 1.880 21.419 ( 1.216 -0.776 0.204) 1.457 22.303 ( 10.240 0.111 1.880) 10.412 22.335 ( -2.783 -0.544 6.803) 7.370 22.869 ( 2.652 1.433 -1.265) 3.269 22.990 ( -4.475 -2.966 -1.202) 5.502 23.204 ( -0.585 -1.199 0.802) 1.557 23.237 ( -0.214 -2.084 0.034) 2.095 45.641 ( -0.780 0.985 1.069) 1.650 45.662 ( 1.351 0.292 -1.117) 1.777 46.642 ( 2.924 -0.886 1.845) 3.569 46.723 ( 1.886 -1.416 1.067) 2.588 46.753 ( -1.227 3.636 0.192) 3.842 46.876 ( 0.257 -0.255 -1.228) 1.280 47.608 ( -1.425 -0.522 0.575) 1.623 47.614 ( -1.312 -0.360 0.301) 1.393 95.581 ( 1.769 0.878 0.676) 2.087 95.652 ( -0.767 -0.799 -0.338) 1.158 95.849 ( -1.435 1.535 2.047) 2.933 95.940 ( -1.713 -0.710 -0.401) 1.897 96.143 ( 1.113 1.272 1.075) 2.003 96.183 ( -0.241 3.356 0.503) 3.402 96.323 ( -1.111 -2.742 7.070) 7.664 96.581 ( 2.397 -8.333 -3.910) 9.512 98.530 ( -2.292 0.890 1.689) 2.983 98.538 ( 1.088 1.291 -0.682) 1.821 99.381 ( 0.726 4.047 5.545) 6.903 99.796 ( 3.247 -7.271 -8.657) 11.762 104.742 ( 0.222 0.259 0.366) 0.500 104.747 ( 0.630 0.650 -0.047) 0.906 104.819 ( -0.997 1.671 0.023) 1.946 104.898 ( 0.960 -0.323 -3.589) 3.729 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.688 9.911 6.852) 12.068 1.301 ( -1.017 2.121 -1.264) 2.670 1.447 ( -3.051 -3.129 5.119) 6.731 1.490 ( 1.452 -7.227 2.515) 7.789 1.562 ( 6.344 7.484 13.247) 16.485 1.710 ( 4.086 -7.689 7.155) 11.270 1.861 ( -3.890 3.263 -12.578) 13.564 1.927 ( -3.988 -3.634 -10.570) 11.868 2.299 ( -2.648 2.347 6.942) 7.791 2.300 ( -3.684 1.974 8.217) 9.219 2.419 ( 3.309 3.218 1.431) 4.833 2.480 ( 3.345 -2.739 -1.119) 4.466 2.655 ( 0.310 1.587 -0.403) 1.667 2.680 ( -0.384 0.481 0.794) 1.004 2.735 ( -0.751 -0.755 -3.458) 3.618 2.761 ( 0.867 -2.033 -3.617) 4.238 3.027 ( -0.988 2.957 1.467) 3.446 3.052 ( -0.384 1.791 -0.485) 1.895 3.124 ( -0.018 -2.039 0.539) 2.109 3.144 ( 0.892 -2.711 -1.292) 3.133 3.398 ( 0.495 1.995 0.297) 2.077 3.435 ( -0.937 -2.071 -2.953) 3.727 3.581 ( -1.689 2.948 -0.061) 3.398 3.593 ( 1.654 2.409 -0.787) 3.027 3.727 ( -1.392 0.162 0.401) 1.457 3.759 ( 0.981 -2.025 -2.677) 3.497 3.837 ( -0.291 0.583 1.540) 1.672 3.857 ( 1.184 -1.943 -0.796) 2.411 3.950 ( -2.992 1.424 4.807) 5.839 4.012 ( -2.412 -3.922 3.672) 5.889 4.111 ( 2.030 2.081 -5.622) 6.329 4.175 ( 3.240 -3.593 -6.979) 8.492 4.439 ( -0.450 0.837 1.605) 1.865 4.468 ( -2.448 -2.013 0.743) 3.256 4.497 ( -0.871 2.665 -1.529) 3.194 4.540 ( 1.695 -1.733 -3.575) 4.319 5.631 ( -0.909 2.435 2.558) 3.647 5.671 ( 0.214 -1.549 -0.684) 1.707 5.796 ( -0.422 1.213 0.744) 1.484 5.822 ( 0.132 -1.592 -1.062) 1.918 5.882 ( -0.532 1.939 1.526) 2.524 5.921 ( 0.362 -0.268 0.357) 0.575 5.954 ( -0.386 -0.644 -0.802) 1.099 6.006 ( 0.786 -4.076 -3.222) 5.255 6.314 ( 0.211 1.689 2.789) 3.268 6.339 ( 0.407 -0.833 0.442) 1.027 6.626 ( 1.409 1.033 1.724) 2.455 6.639 ( -0.388 -0.319 0.563) 0.755 6.805 ( -0.653 0.908 2.063) 2.346 6.830 ( -1.992 -1.541 0.302) 2.537 7.008 ( 0.951 0.425 -1.567) 1.882 7.019 ( 0.880 -0.590 -2.236) 2.475 7.600 ( 0.288 0.857 0.376) 0.979 7.613 ( -0.656 -0.514 -0.767) 1.132 7.736 ( -0.001 0.579 0.039) 0.581 7.747 ( -0.096 -0.489 -1.038) 1.151 7.888 ( -0.808 0.489 0.805) 1.241 7.897 ( -0.563 -0.336 -0.008) 0.655 8.215 ( -0.448 0.330 0.961) 1.111 8.230 ( 0.745 -1.279 -0.513) 1.567 13.343 ( 2.006 5.040 1.721) 5.691 13.383 ( -0.220 1.388 -1.999) 2.444 13.830 ( 0.199 -4.199 2.349) 4.816 13.848 ( -2.333 -5.542 0.511) 6.035 16.117 ( 3.965 6.089 2.625) 7.725 16.146 ( -1.257 4.272 -0.250) 4.460 16.346 ( -1.028 -4.418 1.522) 4.785 16.350 ( -8.596 -4.263 1.091) 9.657 17.042 ( -1.981 3.165 2.300) 4.385 17.084 ( 1.212 -1.018 -1.696) 2.320 18.372 ( -2.546 0.109 0.496) 2.596 18.400 ( 3.288 -2.697 -2.269) 4.820 19.976 ( 0.182 0.986 0.392) 1.077 19.987 ( 0.513 -0.020 -0.595) 0.785 20.297 ( -0.329 0.477 1.108) 1.250 20.314 ( 0.147 -1.193 -0.462) 1.288 21.411 ( -0.137 0.148 0.892) 0.915 21.418 ( 0.189 -0.624 0.188) 0.679 22.375 ( -2.992 1.613 3.956) 5.216 22.412 ( 2.768 -2.154 0.623) 3.562 22.911 ( -0.689 0.698 -0.275) 1.019 22.918 ( 2.376 0.062 -1.026) 2.588 23.182 ( -0.366 -1.068 0.636) 1.296 23.189 ( -0.363 -1.694 -0.009) 1.732 45.657 ( -0.497 0.688 0.325) 0.909 45.665 ( 0.425 -0.200 -0.446) 0.648 46.717 ( 2.026 0.979 0.810) 2.391 46.724 ( -0.748 0.411 0.192) 0.875 46.801 ( 0.276 0.520 0.737) 0.943 46.820 ( -1.242 -1.436 -1.004) 2.148 47.594 ( -0.618 0.273 0.566) 0.882 47.604 ( 0.887 -0.689 -0.323) 1.168 95.631 ( 1.285 0.476 0.065) 1.372 95.635 ( 0.020 0.031 -0.386) 0.388 95.883 ( -0.133 0.630 1.169) 1.334 95.897 ( -0.606 -0.811 -0.156) 1.025 96.231 ( -0.299 4.291 2.345) 4.899 96.267 ( 0.662 5.634 -1.045) 5.768 96.322 ( -0.780 -4.596 4.652) 6.585 96.403 ( 1.281 -7.975 -2.958) 8.602 98.547 ( -1.215 1.485 1.359) 2.352 98.563 ( 0.802 -0.088 -0.097) 0.813 99.518 ( -0.462 2.827 2.647) 3.901 99.587 ( -1.118 -4.456 -3.814) 5.971 104.751 ( -0.072 0.125 0.218) 0.261 104.753 ( -0.096 -0.055 0.043) 0.119 104.841 ( 0.016 1.238 -0.518) 1.342 104.857 ( 0.426 -0.508 -2.068) 2.171 ======================= Grid point 176 (100/108) ======================= q-point: ( 0.10 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.779 7.491 -4.717) 8.887 1.298 ( 0.675 3.503 2.996) 4.659 1.442 ( -4.347 -2.507 0.399) 5.034 1.498 ( 0.236 -5.881 -2.680) 6.467 1.554 ( -6.286 5.835 -12.115) 14.844 1.675 ( -6.414 -5.648 -7.466) 11.348 1.797 ( -1.716 3.877 10.991) 11.781 1.885 ( -1.012 -5.576 8.369) 10.107 2.376 ( 4.218 2.224 3.090) 5.682 2.390 ( 5.148 0.703 0.630) 5.234 2.476 ( 4.246 1.149 -6.669) 7.989 2.482 ( 4.613 0.822 -3.268) 5.713 2.662 ( 0.625 2.077 -1.890) 2.878 2.704 ( 1.756 -0.603 -0.939) 2.081 2.728 ( 1.380 -0.643 3.925) 4.210 2.750 ( 2.328 -2.107 1.026) 3.303 3.029 ( -2.378 2.581 0.457) 3.539 3.049 ( 0.808 2.534 0.634) 2.734 3.102 ( -3.537 -2.964 0.156) 4.617 3.113 ( -1.828 -2.012 -0.185) 2.725 3.390 ( -1.049 1.241 -1.099) 1.962 3.413 ( -1.644 -0.826 2.055) 2.758 3.555 ( -2.368 4.687 1.285) 5.406 3.606 ( 1.045 0.201 -0.192) 1.081 3.732 ( -0.116 0.187 1.850) 1.863 3.762 ( 1.998 -2.350 -0.759) 3.176 3.843 ( -0.052 -0.244 0.081) 0.263 3.856 ( 0.807 -0.925 -1.357) 1.829 3.986 ( -2.079 1.029 4.296) 4.882 4.016 ( -0.288 -0.587 -0.275) 0.709 4.095 ( 0.279 -0.724 1.236) 1.460 4.139 ( 2.953 -3.481 -3.950) 6.036 4.438 ( -1.040 2.018 -0.009) 2.270 4.461 ( -0.918 -1.104 2.806) 3.152 4.520 ( 2.023 0.664 2.265) 3.109 4.551 ( 3.819 -2.125 -1.377) 4.582 5.658 ( 0.006 0.922 1.293) 1.588 5.664 ( 1.068 0.493 -0.911) 1.488 5.813 ( 0.858 0.030 0.438) 0.964 5.820 ( 1.149 0.034 -0.196) 1.166 5.887 ( -0.826 1.874 0.458) 2.099 5.920 ( 1.065 1.406 -0.628) 1.872 5.963 ( -0.286 -3.584 0.557) 3.638 5.988 ( 0.927 -3.697 0.284) 3.822 6.309 ( -2.320 1.307 -1.423) 3.019 6.328 ( -1.503 -0.691 -0.816) 1.844 6.592 ( -3.804 2.683 -1.199) 4.807 6.636 ( -1.649 -1.874 -0.367) 2.523 6.802 ( -1.762 1.363 0.112) 2.230 6.833 ( -0.331 -1.868 2.129) 2.851 7.000 ( 0.366 1.184 -0.658) 1.403 7.025 ( 1.853 -1.398 -0.366) 2.350 7.594 ( -0.490 1.487 0.011) 1.566 7.618 ( 0.676 -1.037 0.689) 1.417 7.738 ( 0.145 0.465 -0.179) 0.519 7.744 ( 0.287 -0.198 0.625) 0.716 7.872 ( -2.273 1.250 0.833) 2.725 7.896 ( -0.803 -1.184 0.896) 1.688 8.214 ( -0.950 0.317 0.415) 1.084 8.229 ( 0.449 -1.204 -0.933) 1.588 13.283 ( -6.298 4.243 -1.642) 7.770 13.350 ( -4.729 -1.559 -0.325) 4.990 13.805 ( 0.352 4.684 0.802) 4.765 13.956 ( 7.842 -10.257 0.574) 12.924 16.023 ( -7.951 7.124 -0.791) 10.705 16.129 ( -5.366 -2.889 -1.430) 6.259 16.372 ( 4.582 2.911 5.876) 8.000 16.460 ( 6.506 -5.282 3.945) 9.262 17.040 ( -2.540 2.644 2.231) 4.292 17.073 ( 0.569 -0.826 -1.557) 1.852 18.378 ( 1.699 2.710 0.991) 3.348 18.453 ( 6.862 -5.119 -1.343) 8.666 19.980 ( 0.103 0.687 -0.261) 0.742 19.984 ( 0.420 0.255 -0.613) 0.786 20.308 ( -0.065 -0.208 0.807) 0.836 20.309 ( 0.517 -0.412 -0.739) 0.992 21.408 ( -1.004 -0.077 0.024) 1.007 21.411 ( -0.727 -0.360 -0.433) 0.920 22.337 ( -6.340 3.182 0.927) 7.154 22.402 ( -2.238 -3.632 -1.986) 4.706 22.904 ( 1.131 2.832 -0.892) 3.177 22.950 ( 3.356 -1.913 -1.082) 4.011 23.185 ( -0.148 -0.968 0.308) 1.027 23.192 ( 0.179 -1.607 0.512) 1.696 45.653 ( -0.742 0.837 0.460) 1.209 45.664 ( 0.195 -0.337 -0.308) 0.496 46.671 ( -3.966 1.302 -0.819) 4.254 46.708 ( -3.493 -2.494 -1.217) 4.461 46.810 ( 1.732 2.765 0.661) 3.329 46.847 ( 2.091 -1.092 0.718) 2.466 47.601 ( 0.747 0.793 0.188) 1.106 47.621 ( 2.246 -1.275 -0.679) 2.670 95.619 ( -0.747 1.185 -0.953) 1.694 95.639 ( 0.404 -0.940 -0.653) 1.214 95.896 ( 0.904 0.666 -0.115) 1.129 95.910 ( 1.509 -0.731 0.895) 1.901 96.220 ( -2.038 5.714 -0.668) 6.103 96.280 ( 1.273 5.136 -0.253) 5.297 96.342 ( -1.056 -7.135 -1.210) 7.313 96.385 ( 0.943 -5.904 -0.179) 5.982 98.549 ( -0.560 2.089 0.827) 2.316 98.574 ( 1.546 -0.573 -0.739) 1.807 99.517 ( -2.585 0.874 -1.954) 3.356 99.548 ( -2.499 -2.471 4.451) 5.672 104.750 ( -0.303 0.086 -0.005) 0.315 104.750 ( -0.338 0.037 0.127) 0.363 104.844 ( 0.172 0.311 0.316) 0.475 104.845 ( 0.314 0.234 0.010) 0.391 ======================= Grid point 177 (101/108) ======================= q-point: ( 0.20 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.604 6.637 -8.200) 10.566 1.194 ( -2.440 5.494 -6.868) 9.127 1.378 ( -0.959 -0.566 -5.505) 5.616 1.424 ( 2.452 2.867 1.646) 4.116 1.488 ( 0.493 -3.737 -0.721) 3.838 1.578 ( -3.661 -7.324 2.696) 8.620 1.852 ( -6.523 2.334 5.926) 9.117 1.904 ( -5.303 -3.568 2.378) 6.820 2.381 ( 3.775 1.590 -10.203) 10.995 2.410 ( 2.597 -0.526 -8.132) 8.553 2.507 ( 6.268 1.727 0.326) 6.510 2.527 ( 7.373 0.154 -1.944) 7.627 2.676 ( 0.948 0.702 1.562) 1.957 2.707 ( 1.685 -2.163 -0.822) 2.862 2.823 ( 3.513 1.578 3.705) 5.344 2.851 ( 4.542 -1.348 3.907) 6.141 2.977 ( -4.084 2.889 0.318) 5.012 3.042 ( -4.153 -3.266 0.018) 5.284 3.068 ( 1.229 2.130 -1.348) 2.804 3.099 ( -1.356 -0.825 0.865) 1.807 3.360 ( -1.936 1.786 -0.467) 2.674 3.391 ( -4.685 -0.891 1.904) 5.135 3.558 ( -1.140 4.639 2.433) 5.361 3.624 ( 1.290 -1.271 0.351) 1.844 3.756 ( 0.085 0.008 0.632) 0.637 3.786 ( 0.556 -1.745 1.657) 2.470 3.827 ( 0.039 1.358 -2.388) 2.747 3.856 ( 0.986 -1.486 -0.885) 1.991 3.988 ( 0.712 0.800 -0.924) 1.414 4.017 ( -0.662 -1.460 0.757) 1.773 4.133 ( 1.053 0.431 2.492) 2.739 4.166 ( 0.199 -2.460 3.621) 4.382 4.422 ( -0.780 3.741 -0.558) 3.862 4.492 ( 0.019 -3.807 1.162) 3.980 4.591 ( 0.893 0.113 4.273) 4.366 4.607 ( 2.907 -1.348 1.528) 3.550 5.664 ( 2.063 0.910 -1.443) 2.677 5.680 ( 0.677 -0.821 0.042) 1.065 5.812 ( 0.017 3.115 -0.998) 3.271 5.854 ( 1.256 -0.827 0.482) 1.579 5.893 ( 0.918 1.011 0.698) 1.533 5.921 ( 1.350 0.030 -0.408) 1.410 5.989 ( 0.967 -2.285 2.048) 3.217 6.014 ( -0.300 -3.467 1.914) 3.972 6.224 ( -3.610 1.145 -3.612) 5.233 6.248 ( -4.621 -1.453 -3.639) 6.059 6.526 ( -2.340 3.891 -1.009) 4.652 6.589 ( -2.145 -2.892 -1.580) 3.932 6.779 ( -1.597 3.391 0.088) 3.749 6.841 ( -1.140 -3.099 0.402) 3.326 7.006 ( -0.316 1.825 1.339) 2.285 7.049 ( 0.966 -2.675 0.468) 2.883 7.599 ( 0.340 2.508 0.681) 2.621 7.640 ( 0.518 -1.977 0.894) 2.230 7.744 ( 0.337 1.185 0.544) 1.347 7.760 ( 0.118 -0.502 1.075) 1.193 7.852 ( -2.368 1.889 1.402) 3.338 7.894 ( -1.411 -2.346 1.146) 2.969 8.201 ( -1.180 0.689 0.195) 1.380 8.220 ( 0.291 -1.206 -0.965) 1.572 13.168 ( -5.937 2.488 -1.135) 6.536 13.235 ( -8.411 -4.154 -0.672) 9.405 13.836 ( 3.006 10.721 -1.581) 11.246 14.049 ( 5.852 -11.550 -2.900) 13.269 15.914 ( -5.957 7.127 0.031) 9.289 16.028 ( -5.785 -4.111 -0.496) 7.114 16.517 ( 3.799 2.658 3.772) 5.977 16.590 ( 4.200 -4.222 1.830) 6.230 17.034 ( -2.056 1.950 1.851) 3.385 17.062 ( 1.140 -1.011 -1.711) 2.291 18.438 ( 3.556 4.593 1.291) 5.950 18.550 ( 7.239 -7.288 -0.701) 10.296 19.976 ( 0.645 0.572 -0.790) 1.169 19.983 ( 0.224 -0.089 -0.069) 0.251 20.312 ( 1.168 0.300 -0.588) 1.342 20.319 ( 0.217 -0.424 0.667) 0.819 21.387 ( -0.929 0.042 -0.685) 1.155 21.391 ( -1.113 -0.357 -0.328) 1.214 22.237 ( -5.920 4.043 -1.069) 7.249 22.315 ( -3.775 -4.223 -2.851) 6.341 22.914 ( 1.973 3.604 -1.126) 4.261 22.981 ( 2.558 -3.386 -1.012) 4.363 23.192 ( 0.288 -0.385 0.690) 0.841 23.203 ( 0.217 -1.394 0.621) 1.542 45.649 ( -0.794 1.076 0.586) 1.460 45.663 ( 0.048 -0.360 -0.133) 0.387 46.594 ( -3.918 0.433 -1.518) 4.224 46.624 ( -4.550 -2.623 -1.419) 5.440 46.852 ( 2.087 2.999 0.985) 3.784 46.883 ( 1.201 -0.230 1.010) 1.586 47.619 ( 1.575 1.087 -0.148) 1.920 47.647 ( 2.873 -1.779 -1.168) 3.576 95.595 ( -0.271 1.777 -0.842) 1.985 95.632 ( 0.387 -2.139 -0.724) 2.291 95.921 ( 2.141 1.983 0.493) 2.960 95.953 ( 2.476 -1.349 0.930) 2.969 96.170 ( -2.114 5.077 -1.713) 5.760 96.264 ( -1.409 -0.729 -2.501) 2.961 96.305 ( 1.573 0.029 -2.790) 3.203 96.404 ( 0.247 -6.803 0.806) 6.855 98.552 ( -0.120 2.511 0.283) 2.529 98.586 ( 1.943 -1.112 -1.381) 2.630 99.455 ( -3.361 4.593 -0.697) 5.734 99.555 ( -5.179 -5.966 4.051) 8.878 104.745 ( -0.314 0.223 -0.011) 0.385 104.746 ( -0.521 0.204 0.171) 0.586 104.852 ( 0.425 0.722 0.528) 0.991 104.863 ( -0.285 -0.389 1.771) 1.836 ======================= Grid point 178 (102/108) ======================= q-point: ( 0.30 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 4.791 8.292 -5.002) 10.804 1.181 ( 4.084 -2.190 0.294) 4.644 1.358 ( 4.357 6.611 -0.021) 7.918 1.494 ( 0.230 2.554 1.592) 3.018 1.524 ( 2.668 -7.139 4.706) 8.958 1.575 ( -1.901 -4.354 2.200) 5.236 1.797 ( -8.447 2.253 3.475) 9.407 1.853 ( -2.775 -4.377 0.707) 5.231 2.268 ( 4.730 2.017 -14.171) 15.075 2.307 ( 1.721 -1.431 -10.289) 10.530 2.581 ( 3.541 1.857 -0.953) 4.110 2.610 ( 4.892 -0.436 -0.269) 4.919 2.712 ( 1.106 -0.030 1.092) 1.555 2.732 ( 1.409 -1.809 1.131) 2.557 2.895 ( -0.347 3.705 1.162) 3.899 2.936 ( 0.088 1.715 2.104) 2.716 2.968 ( 1.305 -2.160 0.327) 2.544 2.982 ( -2.370 -2.786 -0.815) 3.748 3.048 ( 0.764 2.934 -1.591) 3.423 3.092 ( -1.031 -1.628 0.393) 1.967 3.325 ( -2.098 1.645 0.511) 2.714 3.349 ( -3.838 -0.362 1.985) 4.336 3.569 ( -1.205 4.772 1.119) 5.048 3.637 ( 0.331 -1.065 -1.319) 1.727 3.755 ( 0.039 -0.733 -0.302) 0.794 3.772 ( -0.856 -1.726 -2.344) 3.034 3.827 ( -0.726 1.112 1.255) 1.827 3.850 ( 1.424 -0.667 -1.767) 2.366 4.001 ( 0.232 0.603 1.934) 2.039 4.018 ( -1.114 -1.119 1.198) 1.982 4.184 ( 0.735 1.345 2.349) 2.804 4.223 ( 0.434 -1.840 3.311) 3.813 4.400 ( -0.797 4.172 -0.721) 4.308 4.486 ( -0.869 -5.065 -0.497) 5.163 4.635 ( -1.504 -0.321 1.129) 1.908 4.651 ( -1.064 -1.621 2.127) 2.878 5.677 ( 1.701 0.151 -0.986) 1.972 5.689 ( 1.974 -1.016 -1.059) 2.460 5.788 ( -1.396 2.629 -0.866) 3.100 5.838 ( -0.555 -2.359 -2.126) 3.224 5.936 ( 0.507 2.803 -1.016) 3.025 5.954 ( 2.772 2.867 1.926) 4.429 6.012 ( -1.917 -2.587 0.873) 3.336 6.036 ( 0.479 -3.788 0.910) 3.925 6.132 ( -1.921 0.695 -1.453) 2.507 6.153 ( -1.451 -1.672 -0.347) 2.241 6.486 ( -0.893 3.059 -1.817) 3.668 6.537 ( -1.224 -2.497 -2.247) 3.575 6.757 ( -1.426 3.870 0.003) 4.124 6.815 ( -2.089 -2.212 -0.283) 3.056 7.026 ( -0.547 0.985 2.370) 2.624 7.065 ( 0.522 -3.108 0.424) 3.180 7.616 ( 0.336 2.712 0.826) 2.855 7.657 ( 0.407 -1.834 0.618) 1.978 7.761 ( 0.005 1.095 1.153) 1.591 7.778 ( -0.293 -0.603 1.466) 1.612 7.843 ( -1.797 1.959 1.841) 3.234 7.889 ( -1.376 -2.710 1.193) 3.266 8.189 ( -0.921 1.229 0.530) 1.625 8.215 ( 0.640 -1.380 -0.621) 1.643 13.084 ( -3.830 -0.100 -0.329) 3.846 13.108 ( -6.799 -2.466 -0.429) 7.245 13.823 ( 1.330 11.355 -5.010) 12.482 14.032 ( 1.796 -10.707 -7.660) 13.287 15.842 ( -4.091 6.581 0.281) 7.754 15.940 ( -5.028 -2.993 -0.669) 5.890 16.572 ( 0.151 1.303 0.080) 1.315 16.625 ( 0.458 -3.641 -1.422) 3.935 17.030 ( -1.361 1.603 1.091) 2.369 17.059 ( 1.904 -1.491 -2.088) 3.195 18.502 ( 2.377 5.130 1.038) 5.748 18.622 ( 4.356 -7.602 -1.956) 8.977 19.985 ( 1.468 0.591 -0.020) 1.583 19.995 ( 0.804 -0.470 0.727) 1.182 20.326 ( 1.324 0.368 -0.182) 1.386 20.332 ( 0.209 -0.186 0.588) 0.652 21.368 ( -0.447 0.305 -0.418) 0.684 21.374 ( -0.622 -0.337 -0.070) 0.711 22.161 ( -2.319 3.685 -0.222) 4.359 22.235 ( -2.018 -3.994 -1.875) 4.852 22.928 ( 1.870 3.384 -1.023) 4.000 22.995 ( 1.234 -3.692 -1.116) 4.050 23.212 ( 0.308 -0.194 1.356) 1.404 23.218 ( 0.494 -0.785 0.964) 1.338 45.647 ( -0.658 1.306 0.736) 1.637 45.663 ( 0.035 -0.238 -0.003) 0.240 46.520 ( -2.770 -0.271 -1.480) 3.152 46.544 ( -3.609 -2.702 -1.033) 4.625 46.900 ( 2.036 2.603 1.310) 3.555 46.916 ( 0.875 0.893 1.512) 1.962 47.640 ( 1.516 1.058 -0.362) 1.884 47.669 ( 2.558 -1.959 -1.587) 3.591 95.598 ( 1.178 1.998 0.570) 2.388 95.642 ( 1.471 -2.709 0.446) 3.115 95.973 ( 2.575 2.504 1.762) 4.000 96.006 ( 2.756 -0.833 0.688) 2.961 96.117 ( -2.076 3.733 -1.098) 4.411 96.204 ( -0.368 -4.277 -3.200) 5.354 96.291 ( 1.110 4.519 -2.409) 5.240 96.406 ( -0.048 -7.268 -0.869) 7.320 98.553 ( -0.075 2.655 0.042) 2.657 98.591 ( 1.764 -1.457 -1.812) 2.918 99.393 ( -3.505 5.341 -0.795) 6.438 99.501 ( -6.850 -6.065 1.213) 9.229 104.741 ( -0.298 0.428 0.067) 0.526 104.741 ( -0.433 0.412 0.209) 0.633 104.867 ( 0.327 0.676 0.792) 1.091 104.881 ( -0.797 -0.715 1.885) 2.168 ======================= Grid point 179 (103/108) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 7.363 7.472 0.622) 10.508 1.269 ( 3.607 -6.346 1.614) 7.476 1.476 ( -0.838 2.005 5.730) 6.128 1.488 ( -4.292 -0.488 2.171) 4.834 1.580 ( 3.050 4.224 5.194) 7.357 1.670 ( 4.859 -4.324 1.962) 6.794 1.762 ( -2.062 3.674 6.952) 8.129 1.866 ( 1.835 -6.910 2.448) 7.557 2.138 ( 3.117 2.070 -11.494) 12.088 2.182 ( 0.011 -2.051 -8.728) 8.966 2.548 ( -1.516 4.711 -6.529) 8.192 2.620 ( -1.006 -2.787 -5.144) 5.936 2.728 ( 1.485 1.522 -1.628) 2.678 2.767 ( 1.890 -2.225 -1.096) 3.118 2.892 ( -0.336 2.661 -0.795) 2.797 2.921 ( -2.070 0.119 -0.539) 2.143 2.958 ( -0.524 0.208 2.404) 2.469 2.977 ( 0.940 -0.634 0.944) 1.476 3.067 ( 0.739 0.318 1.009) 1.290 3.084 ( -0.627 -1.076 0.580) 1.374 3.325 ( -1.300 1.994 2.887) 3.742 3.353 ( 0.163 -0.499 2.255) 2.316 3.547 ( -1.598 3.270 -1.063) 3.792 3.593 ( -1.926 -1.056 -2.552) 3.367 3.727 ( -0.602 0.489 -1.707) 1.875 3.762 ( 0.567 -2.521 -0.480) 2.629 3.809 ( -0.809 2.012 -0.961) 2.372 3.841 ( 0.364 -0.945 -2.165) 2.390 4.024 ( -1.160 1.108 2.445) 2.924 4.047 ( 0.013 -0.548 3.701) 3.741 4.215 ( -1.027 1.408 2.516) 3.060 4.262 ( 0.451 -1.832 0.940) 2.108 4.380 ( -0.103 4.638 -1.043) 4.754 4.475 ( -0.270 -5.427 0.797) 5.492 4.579 ( -3.194 0.649 -3.130) 4.519 4.629 ( -2.245 -4.123 -0.932) 4.786 5.685 ( 1.073 0.103 -0.670) 1.269 5.701 ( 0.673 -1.549 -0.717) 1.835 5.751 ( -0.751 2.029 -1.414) 2.585 5.793 ( -0.693 -2.206 -2.628) 3.501 5.906 ( -1.381 2.878 -0.809) 3.293 5.953 ( -0.519 -1.592 -2.595) 3.088 6.018 ( 0.654 1.803 1.616) 2.508 6.053 ( 0.780 -1.635 -0.244) 1.828 6.159 ( 2.001 1.049 4.083) 4.667 6.195 ( 1.099 -2.652 4.431) 5.280 6.439 ( -1.114 2.284 -2.908) 3.862 6.478 ( -1.373 -1.975 -3.764) 4.467 6.744 ( -0.644 3.317 0.644) 3.440 6.782 ( -1.704 -0.762 -0.019) 1.866 7.053 ( -0.254 -0.104 2.002) 2.021 7.078 ( 0.778 -2.818 -0.010) 2.924 7.635 ( 0.521 2.687 1.201) 2.989 7.675 ( 0.703 -1.772 0.963) 2.136 7.759 ( -1.390 0.991 -0.248) 1.725 7.777 ( -2.317 -0.935 0.940) 2.670 7.860 ( -0.142 1.636 2.367) 2.881 7.893 ( -0.449 -1.851 1.366) 2.344 8.192 ( -0.232 1.421 1.127) 1.828 8.221 ( 0.879 -1.553 -0.249) 1.802 13.029 ( -2.978 0.327 0.520) 3.041 13.052 ( -1.297 -2.001 0.459) 2.428 13.745 ( -0.560 8.257 -5.884) 10.154 13.901 ( -1.409 -8.163 -10.188) 13.131 15.800 ( -2.171 5.301 0.512) 5.752 15.862 ( -3.652 -0.679 -0.944) 3.833 16.546 ( -1.467 0.294 -1.378) 2.034 16.583 ( -1.492 -3.132 -2.692) 4.391 17.022 ( -1.522 1.577 0.804) 2.335 17.054 ( 1.708 -1.912 -2.365) 3.488 18.535 ( 0.341 4.119 0.959) 4.243 18.628 ( 2.202 -5.725 -3.494) 7.059 20.017 ( 1.783 0.268 0.744) 1.950 20.023 ( 0.848 -0.390 1.179) 1.504 20.339 ( -0.210 0.147 0.399) 0.474 20.340 ( 0.652 0.063 -0.134) 0.669 21.361 ( -0.192 0.595 0.067) 0.629 21.369 ( -0.250 -0.145 0.065) 0.296 22.159 ( 0.099 1.820 1.539) 2.386 22.205 ( -0.076 -2.924 -0.458) 2.960 22.940 ( 1.524 2.350 -0.903) 2.943 22.985 ( 0.157 -2.477 -1.570) 2.937 23.237 ( -0.053 0.086 1.816) 1.819 23.245 ( 0.796 -0.697 1.175) 1.581 45.650 ( -0.524 1.410 0.832) 1.719 45.663 ( 0.164 0.019 -0.084) 0.185 46.475 ( -1.025 -0.979 -0.815) 1.635 46.491 ( -1.876 -2.632 -0.663) 3.299 46.947 ( 1.639 2.104 1.264) 2.951 46.950 ( 0.486 1.759 1.688) 2.486 47.652 ( 0.754 0.728 -0.280) 1.085 47.677 ( 1.570 -1.785 -1.666) 2.903 95.646 ( 2.082 1.873 2.280) 3.612 95.686 ( 1.878 -2.456 1.714) 3.535 96.025 ( 0.213 1.206 0.039) 1.226 96.041 ( 2.165 0.847 -0.258) 2.339 96.087 ( -1.454 3.294 1.430) 3.874 96.184 ( 1.836 -5.629 -0.585) 5.950 96.269 ( 0.672 5.023 -2.551) 5.673 96.378 ( -0.553 -6.534 -2.464) 7.005 98.552 ( -0.329 2.389 0.257) 2.426 98.587 ( 1.161 -1.349 -1.865) 2.578 99.335 ( -2.224 3.588 -0.946) 4.326 99.403 ( -5.669 -3.570 -1.038) 6.779 104.738 ( -0.465 0.728 0.325) 0.923 104.739 ( 0.020 0.489 -0.042) 0.491 104.883 ( 0.551 0.105 0.494) 0.748 104.891 ( -1.046 -0.628 1.377) 1.839 ======================= Grid point 180 (104/108) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.641 4.037 3.373) 5.300 1.281 ( -2.505 1.032 -0.426) 2.743 1.440 ( -8.115 -1.319 5.065) 9.657 1.481 ( -1.465 -4.417 2.674) 5.367 1.689 ( -4.976 2.781 4.472) 7.245 1.756 ( 1.394 -2.529 5.686) 6.378 1.894 ( 8.256 2.198 -4.941) 9.869 1.974 ( 11.302 -5.173 -5.745) 13.693 2.090 ( -1.061 1.263 4.501) 4.794 2.105 ( 0.942 -0.406 3.181) 3.342 2.396 ( -1.775 3.309 -7.355) 8.258 2.422 ( -8.411 0.167 -9.475) 12.671 2.721 ( 1.447 0.664 -2.187) 2.705 2.740 ( 0.379 -1.238 -3.744) 3.962 2.887 ( 0.205 1.696 0.310) 1.736 2.891 ( -0.684 1.341 0.022) 1.506 3.018 ( 0.586 0.206 3.828) 3.878 3.035 ( 1.129 -1.277 3.453) 3.850 3.073 ( 0.150 0.540 -1.053) 1.193 3.088 ( 0.084 -0.850 -0.712) 1.112 3.360 ( 0.040 2.590 3.029) 3.986 3.391 ( 1.474 -0.210 0.536) 1.582 3.512 ( 0.244 0.011 -1.328) 1.350 3.527 ( -1.322 -1.181 -2.528) 3.088 3.716 ( -0.551 1.958 1.571) 2.570 3.752 ( -0.058 -1.346 -0.902) 1.622 3.787 ( -0.587 0.413 -0.983) 1.218 3.806 ( 0.703 -1.250 -3.032) 3.353 4.057 ( -0.271 3.148 3.119) 4.440 4.084 ( -0.026 1.242 0.952) 1.565 4.236 ( -2.394 -0.128 4.307) 4.930 4.267 ( -0.699 -2.260 0.733) 2.477 4.381 ( 1.529 4.474 0.374) 4.743 4.458 ( -0.884 -1.166 -5.141) 5.345 4.525 ( 0.482 -2.874 2.003) 3.536 4.582 ( -0.138 -5.819 -2.813) 6.465 5.682 ( -1.645 0.126 0.531) 1.733 5.694 ( 0.622 -1.080 -0.517) 1.349 5.739 ( 0.658 0.325 -0.805) 1.089 5.754 ( 0.573 -1.294 -2.177) 2.596 5.890 ( -0.725 2.236 0.763) 2.472 5.920 ( 0.239 -0.613 -1.856) 1.969 6.041 ( 0.347 0.268 0.597) 0.740 6.054 ( 0.301 -0.865 -0.634) 1.114 6.265 ( 2.494 0.754 5.437) 6.029 6.281 ( 1.083 -0.848 5.086) 5.269 6.366 ( -2.358 1.320 -3.948) 4.784 6.390 ( -1.444 -1.284 -5.165) 5.515 6.754 ( -0.184 1.979 1.148) 2.295 6.767 ( -0.396 0.594 -0.059) 0.717 7.071 ( -0.108 -0.682 0.948) 1.172 7.087 ( 1.013 -2.427 -0.645) 2.708 7.667 ( 0.367 2.285 1.833) 2.952 7.692 ( -0.536 0.007 -0.019) 0.536 7.739 ( 0.206 -0.602 0.272) 0.692 7.747 ( -1.526 -1.123 -0.006) 1.894 7.890 ( -0.204 0.988 1.813) 2.075 7.903 ( -0.418 -0.412 0.559) 0.811 8.209 ( -0.100 0.713 1.154) 1.360 8.227 ( 0.429 -1.147 -0.572) 1.351 13.026 ( 0.242 1.262 1.446) 1.935 13.053 ( 1.185 -1.432 -0.798) 2.023 13.677 ( -0.863 2.616 -1.022) 2.938 13.741 ( -2.179 -4.123 -7.069) 8.469 15.794 ( -0.336 3.529 1.215) 3.747 15.811 ( -1.585 1.824 -0.475) 2.463 16.512 ( -1.608 -0.883 0.327) 1.863 16.525 ( -2.191 -2.144 -0.967) 3.214 17.011 ( -1.883 1.651 1.359) 2.849 17.046 ( 1.418 -2.085 -1.961) 3.195 18.547 ( -0.941 2.355 1.715) 3.062 18.603 ( 1.472 -3.540 -3.529) 5.210 20.043 ( -0.087 0.113 0.567) 0.584 20.047 ( 1.028 -0.325 0.172) 1.092 20.338 ( -0.556 0.334 0.371) 0.747 20.343 ( 0.113 -0.168 -0.114) 0.233 21.362 ( -0.139 0.594 0.342) 0.700 21.366 ( -0.173 0.201 -0.002) 0.265 22.184 ( -0.438 0.129 1.618) 1.682 22.203 ( -0.045 -1.883 -0.313) 1.909 22.951 ( 1.427 0.651 -0.543) 1.660 22.962 ( -0.019 -0.525 -1.609) 1.692 23.256 ( -0.660 0.322 1.417) 1.595 23.267 ( 0.485 -0.842 0.421) 1.058 45.653 ( -0.549 1.417 0.774) 1.706 45.665 ( 0.448 0.215 -0.329) 0.596 46.463 ( -0.250 -1.579 -0.049) 1.600 46.470 ( 0.699 -2.310 -0.727) 2.521 46.970 ( -0.656 2.343 1.115) 2.677 46.978 ( 0.665 1.607 0.420) 1.789 47.655 ( -0.304 0.218 0.196) 0.422 47.670 ( 0.422 -1.354 -1.275) 1.907 95.707 ( 1.268 0.977 1.992) 2.555 95.724 ( 0.371 -0.875 0.435) 1.045 96.011 ( -0.241 0.883 -0.404) 1.000 96.032 ( 0.123 -1.314 -1.936) 2.343 96.121 ( -1.363 4.560 4.161) 6.321 96.205 ( 1.480 -1.624 -2.599) 3.403 96.257 ( -0.363 -0.153 1.674) 1.719 96.328 ( 0.385 -4.967 -3.651) 6.177 98.552 ( -0.712 1.702 0.806) 2.013 98.575 ( 0.506 -0.768 -1.479) 1.742 99.313 ( 0.410 0.880 0.267) 1.006 99.326 ( -2.470 -0.383 -0.751) 2.610 104.736 ( -0.359 0.894 0.296) 1.008 104.740 ( 0.221 0.505 -0.082) 0.557 104.891 ( -0.789 0.050 0.713) 1.064 104.899 ( 1.187 -0.806 -0.079) 1.437 ======================= Grid point 181 (105/108) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -9.554 6.968 -0.287) 11.828 1.274 ( -4.733 -5.211 1.830) 7.274 1.419 ( -6.929 2.145 7.469) 10.412 1.488 ( -6.196 -3.845 4.251) 8.441 1.656 ( -5.515 2.263 1.135) 6.069 1.745 ( -6.182 -5.111 0.695) 8.051 1.878 ( 3.531 3.032 -6.296) 7.830 1.918 ( 3.850 -0.825 -11.259) 11.927 2.098 ( -2.950 2.778 -6.900) 8.002 2.146 ( 1.240 -1.529 -2.746) 3.379 2.365 ( 3.086 4.702 10.772) 12.152 2.456 ( 4.599 -4.380 9.694) 11.590 2.708 ( 0.214 0.194 -0.884) 0.930 2.725 ( 0.341 -1.591 0.791) 1.809 2.887 ( 0.763 2.861 -0.029) 2.961 2.912 ( 1.728 0.756 0.440) 1.937 3.024 ( -1.991 1.156 -3.058) 3.828 3.037 ( -0.195 -0.137 -3.326) 3.334 3.063 ( -0.547 -0.194 1.370) 1.488 3.094 ( 0.819 -2.512 0.394) 2.672 3.382 ( 0.978 2.181 -1.999) 3.116 3.404 ( 2.373 -0.007 -2.512) 3.456 3.510 ( 1.192 1.205 1.067) 2.003 3.543 ( 2.652 -1.836 2.274) 3.947 3.719 ( -1.328 1.095 -0.447) 1.778 3.738 ( -0.930 -0.579 0.341) 1.147 3.787 ( 0.748 0.694 2.122) 2.355 3.805 ( 1.595 -1.376 -0.073) 2.108 4.060 ( -1.066 3.396 -0.614) 3.612 4.095 ( 0.742 1.142 -0.549) 1.468 4.257 ( -1.492 -0.301 1.395) 2.065 4.271 ( -0.316 -2.092 1.210) 2.437 4.385 ( 0.675 4.824 -2.976) 5.708 4.451 ( 2.456 -0.160 3.920) 4.628 4.550 ( 1.616 -3.497 -2.369) 4.523 4.590 ( 3.327 -5.938 2.233) 7.164 5.669 ( -1.450 0.356 0.844) 1.715 5.695 ( -0.450 -2.227 0.010) 2.272 5.740 ( 1.304 1.011 -0.267) 1.672 5.759 ( 1.534 -0.977 0.121) 1.823 5.902 ( -0.379 1.303 1.942) 2.369 5.908 ( 0.777 0.717 -0.837) 1.348 6.040 ( -0.474 -0.028 -0.646) 0.802 6.050 ( 0.089 -1.087 -0.189) 1.107 6.259 ( -2.874 1.552 -5.028) 5.996 6.294 ( -1.457 -2.156 -5.044) 5.676 6.363 ( 0.611 1.174 4.450) 4.642 6.380 ( 1.935 -0.659 5.324) 5.703 6.754 ( -0.453 2.294 -0.021) 2.338 6.777 ( 0.890 0.009 0.595) 1.071 7.076 ( -0.146 -0.696 0.131) 0.723 7.088 ( 1.128 -1.997 -1.500) 2.740 7.655 ( -1.699 1.831 -0.346) 2.522 7.685 ( -1.435 -1.257 0.098) 1.910 7.745 ( 1.650 1.816 0.738) 2.562 7.782 ( 2.441 -1.921 0.704) 3.185 7.892 ( -0.918 0.778 -0.429) 1.278 7.903 ( -0.443 -0.311 0.490) 0.730 8.212 ( -0.809 0.014 0.085) 0.813 8.217 ( -0.145 -0.479 -0.686) 0.850 13.057 ( 2.471 0.230 -1.473) 2.886 13.059 ( 2.570 -0.011 -0.861) 2.711 13.666 ( -1.487 1.668 1.028) 2.460 13.716 ( 0.284 -3.552 6.606) 7.506 15.798 ( 0.012 4.105 0.689) 4.163 15.831 ( 1.898 1.052 1.954) 2.920 16.501 ( -2.209 -0.975 2.481) 3.462 16.515 ( -1.560 -2.166 3.365) 4.295 17.006 ( -2.066 1.763 2.172) 3.477 17.044 ( 1.323 -2.129 -1.249) 2.800 18.560 ( -1.620 0.028 2.755) 3.196 18.575 ( 0.713 -1.485 -2.847) 3.289 20.032 ( -1.267 0.655 -0.593) 1.544 20.047 ( -0.172 -0.936 -1.041) 1.410 20.334 ( -0.897 0.527 0.470) 1.142 20.342 ( -0.153 -0.359 0.060) 0.395 21.362 ( -0.285 0.576 0.046) 0.644 21.366 ( -0.008 0.155 0.260) 0.303 22.183 ( -1.495 -0.699 -0.721) 1.801 22.187 ( -1.617 -1.064 1.110) 2.231 22.943 ( 0.102 1.302 -1.233) 1.796 22.968 ( 1.361 -1.492 -0.028) 2.020 23.254 ( -1.332 0.378 0.373) 1.434 23.267 ( -0.295 -0.942 -0.776) 1.256 45.655 ( -0.403 1.429 0.440) 1.549 45.667 ( 0.609 0.141 -0.479) 0.788 46.467 ( 1.040 -0.735 0.040) 1.274 46.488 ( 2.416 -2.882 -0.362) 3.779 46.959 ( -2.023 2.786 0.109) 3.445 46.976 ( -0.707 1.087 -0.653) 1.452 47.649 ( -1.335 -0.243 0.751) 1.551 47.656 ( -0.557 -0.864 -0.532) 1.157 95.698 ( -1.690 1.163 -2.360) 3.127 95.719 ( -0.877 -1.000 -0.882) 1.596 96.014 ( 0.027 0.107 0.111) 0.157 96.022 ( 0.370 -0.711 0.515) 0.953 96.129 ( -3.225 2.898 1.302) 4.527 96.165 ( -1.545 0.672 -1.389) 2.183 96.257 ( -0.989 -0.051 -0.224) 1.016 96.328 ( 1.894 -6.150 0.818) 6.487 98.553 ( -1.151 0.884 1.347) 1.980 98.563 ( 0.048 -0.037 -0.815) 0.818 99.315 ( 0.978 2.913 0.833) 3.184 99.363 ( 3.688 -2.107 2.440) 4.898 104.736 ( -0.194 0.930 0.264) 0.986 104.743 ( 0.334 0.329 -0.123) 0.485 104.889 ( -0.040 1.126 -0.037) 1.127 104.915 ( 1.800 -1.539 -0.879) 2.526 ======================= Grid point 182 (106/108) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -9.342 10.227 0.609) 13.865 1.190 ( -7.277 -9.208 -0.081) 11.737 1.353 ( -12.914 7.414 3.599) 15.320 1.436 ( -9.247 -1.281 7.521) 11.988 1.564 ( -4.273 1.626 -2.193) 5.071 1.673 ( -0.475 -8.279 -3.240) 8.903 1.851 ( -2.920 3.326 3.527) 5.660 1.876 ( 4.400 0.349 -3.403) 5.573 2.035 ( 1.812 5.384 -0.532) 5.706 2.157 ( 0.520 -5.666 2.548) 6.234 2.533 ( 1.806 2.335 4.764) 5.605 2.595 ( -0.721 -3.649 2.886) 4.708 2.716 ( 0.510 0.179 0.490) 0.729 2.742 ( -0.441 -2.567 1.042) 2.805 2.911 ( 2.152 3.572 -0.213) 4.175 2.949 ( 1.709 0.769 0.038) 1.875 2.960 ( -0.610 1.415 -0.514) 1.624 2.989 ( 0.495 -0.446 -2.886) 2.962 3.058 ( -1.404 -0.367 -0.284) 1.479 3.096 ( 0.434 -2.806 -0.429) 2.871 3.357 ( 1.685 2.679 -3.180) 4.487 3.402 ( 3.722 -1.857 -3.107) 5.192 3.558 ( 1.215 4.085 1.605) 4.554 3.610 ( 1.495 -0.916 1.039) 2.038 3.716 ( -0.395 0.043 1.944) 1.984 3.741 ( -0.265 -2.216 2.258) 3.175 3.816 ( -0.221 1.470 0.240) 1.506 3.836 ( 1.300 -0.559 0.896) 1.675 4.043 ( 0.200 1.666 -0.889) 1.899 4.073 ( 0.319 -0.137 -3.408) 3.426 4.234 ( -0.323 1.084 -1.678) 2.023 4.275 ( 0.466 -2.540 -1.024) 2.778 4.389 ( 1.519 5.658 -0.009) 5.858 4.500 ( 1.922 -5.844 -1.537) 6.341 4.598 ( 2.534 3.453 3.249) 5.376 4.682 ( 5.173 -5.543 0.532) 7.600 5.658 ( -1.598 0.211 0.608) 1.723 5.679 ( -1.244 -1.578 -0.292) 2.031 5.773 ( 1.945 0.875 0.918) 2.322 5.794 ( 1.091 -1.042 1.738) 2.302 5.920 ( 0.872 1.742 0.444) 1.998 5.933 ( -0.480 0.640 2.964) 3.070 6.023 ( 0.056 0.576 -0.679) 0.892 6.047 ( 0.078 -1.847 -0.382) 1.888 6.155 ( -1.928 1.619 -3.509) 4.318 6.201 ( -1.738 -3.186 -4.243) 5.583 6.426 ( 0.130 2.503 3.844) 4.589 6.470 ( 0.958 -2.227 4.191) 4.842 6.754 ( 0.455 3.732 0.283) 3.770 6.805 ( 1.420 -1.503 0.854) 2.237 7.070 ( -0.229 -0.591 -0.741) 0.975 7.080 ( 1.161 -1.462 -1.903) 2.666 7.631 ( -0.691 2.022 -0.505) 2.196 7.664 ( -1.026 -1.656 -0.078) 1.950 7.774 ( 0.883 2.060 -0.133) 2.245 7.811 ( 1.324 -1.907 -1.096) 2.567 7.870 ( -0.237 1.216 -0.663) 1.405 7.898 ( -0.421 -1.571 0.139) 1.633 8.197 ( -0.761 0.344 -0.066) 0.838 8.207 ( -0.268 -0.613 -0.150) 0.686 13.085 ( 3.927 0.276 -0.796) 4.017 13.103 ( 5.054 -1.480 -0.219) 5.271 13.705 ( -0.967 6.995 5.843) 9.165 13.844 ( -0.449 -7.598 9.965) 12.539 15.829 ( 1.964 5.758 1.568) 6.283 15.906 ( 3.613 -1.461 2.615) 4.693 16.521 ( -2.491 -0.539 4.538) 5.205 16.552 ( -2.344 -3.004 5.246) 6.484 17.009 ( -2.078 2.058 2.604) 3.916 17.051 ( 1.549 -2.130 -0.803) 2.754 18.538 ( -0.793 0.522 -2.414) 2.594 18.572 ( -2.541 -3.353 2.711) 5.005 19.996 ( -1.709 1.057 -0.996) 2.242 20.018 ( -0.896 -1.327 -1.530) 2.214 20.321 ( -1.624 1.006 0.370) 1.946 20.338 ( -0.516 -0.751 0.007) 0.911 21.360 ( -0.204 0.686 0.311) 0.780 21.371 ( 0.186 -0.421 0.252) 0.525 22.150 ( -1.561 1.418 0.466) 2.160 22.186 ( -1.426 -2.317 2.581) 3.750 22.928 ( -0.090 2.616 -0.990) 2.799 22.983 ( 0.376 -3.495 -0.020) 3.515 23.231 ( -1.615 0.086 -0.196) 1.629 23.240 ( -1.060 -0.844 -1.239) 1.836 45.655 ( -0.017 1.319 0.082) 1.321 45.669 ( 0.582 -0.029 -0.619) 0.850 46.499 ( 2.811 0.240 0.524) 2.870 46.532 ( 3.772 -3.119 0.119) 4.896 46.918 ( -2.898 3.110 -0.435) 4.273 46.943 ( -1.695 0.500 -1.075) 2.069 47.635 ( -1.591 -0.243 0.372) 1.652 47.640 ( -1.759 -0.728 0.724) 2.036 95.631 ( -1.931 1.812 -2.492) 3.636 95.670 ( -1.894 -2.359 -2.143) 3.708 96.001 ( -3.028 1.140 -0.577) 3.287 96.008 ( -2.553 0.251 -0.262) 2.578 96.105 ( 0.211 1.600 0.526) 1.697 96.145 ( -1.603 -2.221 2.426) 3.659 96.253 ( -0.202 4.284 0.758) 4.356 96.369 ( 0.267 -8.015 2.379) 8.365 98.553 ( -0.871 0.491 0.697) 1.219 98.555 ( -0.921 0.314 0.770) 1.241 99.368 ( 3.230 6.264 1.590) 7.225 99.483 ( 6.450 -5.929 3.033) 9.271 104.738 ( 0.008 0.789 0.249) 0.828 104.746 ( 0.372 0.082 -0.152) 0.411 104.888 ( 0.767 2.053 -1.023) 2.419 104.924 ( 1.912 -1.691 -2.013) 3.251 ======================= Grid point 183 (107/108) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.985 10.946 7.862) 13.803 1.106 ( -4.526 0.482 3.012) 5.458 1.267 ( -4.929 4.700 4.795) 8.329 1.411 ( -7.916 -4.981 7.178) 11.790 1.479 ( -2.743 3.934 -2.157) 5.259 1.635 ( -0.604 -11.347 -0.988) 11.406 1.904 ( -0.249 1.531 6.470) 6.653 1.923 ( 4.331 -0.254 0.082) 4.339 2.101 ( 0.249 6.529 6.587) 9.278 2.222 ( -0.771 -4.811 6.309) 7.971 2.545 ( -1.817 -0.827 -1.716) 2.633 2.550 ( -4.080 -0.710 -2.175) 4.678 2.714 ( 0.132 -0.073 -1.477) 1.484 2.729 ( -0.278 -1.904 -1.776) 2.618 2.885 ( -2.732 2.883 -2.691) 4.798 2.932 ( -3.498 -1.705 -3.117) 4.986 2.976 ( 3.404 2.728 0.412) 4.382 3.015 ( 1.320 3.248 1.978) 4.025 3.045 ( 2.014 -1.801 0.417) 2.734 3.106 ( 0.548 -3.744 0.264) 3.793 3.363 ( 2.873 3.844 -1.080) 4.919 3.436 ( 5.117 -3.387 -2.032) 6.464 3.579 ( -0.062 4.051 0.437) 4.075 3.618 ( -1.064 -0.047 0.385) 1.133 3.743 ( 0.182 1.025 2.246) 2.476 3.781 ( 1.265 -0.767 -0.139) 1.485 3.809 ( -1.999 -0.021 2.710) 3.367 3.848 ( 0.708 -3.011 -1.279) 3.347 4.010 ( -0.712 1.775 -3.755) 4.214 4.034 ( -0.259 -0.873 -1.592) 1.834 4.208 ( 1.255 1.839 -3.321) 3.998 4.260 ( 1.673 -3.249 -3.377) 4.975 4.410 ( 0.930 4.651 0.255) 4.750 4.503 ( 1.138 -5.084 -1.184) 5.343 4.636 ( -0.963 3.704 -0.550) 3.867 4.704 ( 1.449 -3.637 -5.337) 6.619 5.636 ( -2.244 0.878 0.655) 2.497 5.665 ( -0.694 -1.841 0.678) 2.081 5.805 ( 0.770 1.138 0.386) 1.427 5.830 ( 0.116 -1.211 1.806) 2.178 5.916 ( -2.563 2.297 -0.725) 3.518 5.927 ( -1.183 1.350 -0.701) 1.927 6.039 ( 0.257 -1.735 -1.872) 2.566 6.044 ( 1.158 -2.787 -0.331) 3.036 6.147 ( 2.088 1.045 2.928) 3.745 6.172 ( 2.459 -1.584 2.238) 3.683 6.482 ( 0.903 3.021 3.324) 4.582 6.535 ( 0.923 -2.766 3.458) 4.524 6.773 ( 0.865 4.055 0.712) 4.207 6.835 ( 0.811 -2.352 0.764) 2.603 7.050 ( 0.301 0.102 -1.966) 1.992 7.069 ( 0.495 -1.624 -1.608) 2.339 7.614 ( -0.666 2.353 -0.693) 2.542 7.652 ( -0.516 -1.972 -0.214) 2.050 7.764 ( -0.340 1.569 -1.317) 2.077 7.793 ( 0.177 -1.330 -2.169) 2.551 7.872 ( 0.745 1.016 -0.159) 1.270 7.900 ( -0.132 -1.816 0.584) 1.912 8.193 ( -0.605 0.696 0.903) 1.291 8.210 ( 0.617 -1.014 0.050) 1.188 13.150 ( 5.257 2.230 0.407) 5.725 13.215 ( 8.040 -4.492 1.407) 9.317 13.767 ( -1.939 8.915 5.068) 10.436 13.942 ( -3.750 -9.518 7.338) 12.590 15.897 ( 3.700 6.815 1.916) 7.988 16.002 ( 4.299 -2.980 2.209) 5.678 16.526 ( -5.020 -0.335 2.987) 5.851 16.568 ( -5.159 -3.704 3.849) 7.426 17.018 ( -1.617 2.792 2.549) 4.112 17.067 ( 2.286 -2.118 -1.076) 3.297 18.479 ( -2.104 1.231 -2.646) 3.598 18.539 ( -5.462 -5.625 0.596) 7.863 19.967 ( -0.859 1.207 -0.045) 1.482 19.990 ( -0.421 -1.236 -0.759) 1.510 20.299 ( -1.912 1.650 0.589) 2.593 20.328 ( -0.629 -1.335 -0.145) 1.483 21.368 ( 0.193 0.593 0.932) 1.122 21.382 ( 0.619 -0.806 0.512) 1.138 22.183 ( 2.316 2.502 3.887) 5.171 22.231 ( 0.305 -2.587 5.012) 5.649 22.912 ( -0.131 2.932 -0.897) 3.069 22.973 ( -1.392 -3.865 -0.278) 4.117 23.204 ( -1.527 -0.260 -0.285) 1.575 23.212 ( -0.995 -1.074 -0.340) 1.503 45.657 ( 0.229 0.996 -0.087) 1.026 45.667 ( 0.460 -0.041 -0.660) 0.805 46.564 ( 4.088 0.969 1.158) 4.358 46.603 ( 4.891 -3.019 0.601) 5.779 46.867 ( -3.079 3.338 -0.347) 4.555 46.902 ( -1.998 -0.367 -0.713) 2.153 47.616 ( -1.517 -0.076 0.311) 1.550 47.622 ( -2.149 -0.694 0.926) 2.441 95.590 ( -0.293 1.774 -0.502) 1.867 95.629 ( -0.688 -2.303 -0.488) 2.453 95.929 ( -4.093 2.555 -0.312) 4.835 95.962 ( -3.369 -1.035 0.040) 3.525 96.136 ( 1.316 2.036 1.692) 2.957 96.185 ( 0.262 -2.918 4.046) 4.995 96.265 ( -0.634 5.489 1.553) 5.740 96.399 ( 0.037 -8.958 1.504) 9.083 98.551 ( -0.820 0.575 0.731) 1.240 98.553 ( -1.284 0.310 1.200) 1.784 99.438 ( 3.157 8.400 1.085) 9.039 99.606 ( 6.058 -9.459 -0.157) 11.234 104.742 ( 0.129 0.553 0.223) 0.610 104.750 ( 0.302 -0.065 -0.125) 0.333 104.879 ( 0.829 2.300 -2.026) 3.175 104.913 ( 1.375 -1.365 -2.936) 3.517 ======================= Grid point 184 (108/108) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.210 10.428 9.501) 14.109 1.194 ( 4.793 5.088 10.407) 12.536 1.346 ( 0.994 -2.193 9.047) 9.362 1.403 ( -1.577 -3.462 2.573) 4.593 1.439 ( -2.251 5.130 2.342) 6.072 1.628 ( 0.750 -12.074 0.285) 12.100 1.972 ( 4.169 1.357 -3.715) 5.746 1.995 ( 2.923 -1.076 1.135) 3.315 2.209 ( -4.907 5.674 12.886) 14.910 2.287 ( -4.513 -1.331 7.024) 8.455 2.438 ( -4.385 1.314 -3.304) 5.645 2.477 ( -0.827 -3.101 -2.965) 4.369 2.681 ( -0.417 0.887 -2.285) 2.486 2.696 ( -0.281 -1.232 -1.976) 2.345 2.801 ( -2.160 0.470 -2.847) 3.605 2.823 ( -2.421 -1.256 -4.229) 5.032 3.029 ( -0.674 3.866 0.786) 4.002 3.039 ( 1.771 3.895 1.448) 4.517 3.101 ( 2.274 -3.439 0.129) 4.125 3.121 ( 2.108 -3.527 0.051) 4.109 3.389 ( 1.789 3.924 -0.752) 4.378 3.469 ( 2.748 -4.365 -2.661) 5.804 3.580 ( 0.708 3.847 -0.467) 3.939 3.603 ( -1.052 0.830 -0.058) 1.341 3.751 ( -1.036 1.252 -0.563) 1.720 3.793 ( 0.122 0.197 0.085) 0.247 3.816 ( -0.447 -0.545 -0.123) 0.716 3.843 ( 0.679 -4.002 0.528) 4.094 3.955 ( -2.435 1.999 0.131) 3.154 4.009 ( -1.521 -2.901 0.527) 3.318 4.168 ( 1.883 2.333 -5.781) 6.513 4.226 ( 2.609 -3.372 -5.983) 7.347 4.424 ( 0.102 3.201 0.779) 3.296 4.494 ( -0.845 -3.996 -0.550) 4.122 4.569 ( -3.438 2.599 -2.788) 5.133 4.609 ( -1.418 -1.538 -5.831) 6.195 5.621 ( -1.814 2.346 1.683) 3.410 5.670 ( -0.268 -2.790 0.783) 2.910 5.804 ( -0.763 2.504 -0.172) 2.624 5.840 ( -0.838 -1.172 -0.039) 1.441 5.878 ( -0.984 1.148 0.228) 1.529 5.905 ( -0.749 -1.223 0.680) 1.587 5.996 ( -0.298 0.094 -3.284) 3.298 6.035 ( 0.689 -3.357 -2.259) 4.105 6.242 ( 2.245 2.134 4.347) 5.338 6.285 ( 3.381 -2.398 3.513) 5.433 6.553 ( 2.827 2.996 2.779) 4.969 6.600 ( 1.352 -2.175 3.069) 3.997 6.793 ( 0.146 2.979 0.852) 3.102 6.845 ( -0.811 -2.454 0.598) 2.652 7.026 ( 0.701 0.568 -2.460) 2.620 7.046 ( -0.042 -1.390 -2.003) 2.439 7.598 ( -0.206 2.168 -0.349) 2.205 7.636 ( -0.738 -2.060 -0.800) 2.329 7.743 ( -0.295 1.391 -0.743) 1.605 7.768 ( -0.067 -1.045 -1.578) 1.894 7.881 ( 0.609 0.972 0.021) 1.147 7.904 ( -0.365 -1.253 0.284) 1.336 8.203 ( -0.268 0.638 1.275) 1.451 8.222 ( 0.849 -1.298 -0.056) 1.552 13.249 ( 5.900 5.013 1.432) 7.873 13.347 ( 6.625 -4.459 0.334) 7.993 13.788 ( -1.536 4.983 2.525) 5.794 13.930 ( -7.332 -9.126 3.095) 12.109 15.993 ( 5.414 6.908 2.298) 9.073 16.095 ( 4.115 -2.135 2.043) 5.066 16.441 ( -8.338 -0.191 -0.398) 8.350 16.491 ( -9.405 -3.979 1.020) 10.263 17.033 ( -1.263 3.289 2.398) 4.261 17.082 ( 2.263 -1.656 -1.697) 3.278 18.415 ( -1.034 -0.190 -2.419) 2.637 18.443 ( -6.062 -3.440 -0.529) 6.990 19.967 ( 0.039 1.106 0.569) 1.245 19.985 ( 0.418 -0.715 -0.268) 0.870 20.289 ( -1.006 1.402 1.140) 2.068 20.319 ( -0.235 -1.578 -0.221) 1.611 21.391 ( 0.467 0.411 1.304) 1.444 21.403 ( 0.837 -0.838 0.678) 1.365 22.308 ( 5.186 0.474 4.073) 6.611 22.321 ( 0.837 -0.859 5.575) 5.703 22.903 ( 0.832 2.041 -0.823) 2.353 22.941 ( -2.176 -2.158 -0.187) 3.070 23.185 ( -0.939 -0.460 0.263) 1.078 23.197 ( -0.735 -1.748 0.010) 1.896 45.658 ( -0.048 0.702 0.073) 0.708 45.665 ( 0.470 -0.033 -0.560) 0.732 46.646 ( 4.279 1.340 1.379) 4.691 46.684 ( 4.199 -2.428 0.842) 4.923 46.819 ( -2.684 3.205 -0.120) 4.183 46.863 ( -2.179 -1.432 -0.574) 2.670 47.601 ( -1.199 -0.079 0.509) 1.305 47.605 ( -1.152 -0.476 0.348) 1.294 95.603 ( 1.413 1.437 0.558) 2.091 95.630 ( 0.566 -1.419 0.219) 1.543 95.885 ( -2.287 2.096 0.915) 3.234 95.919 ( -2.262 -1.519 0.050) 2.725 96.186 ( 1.329 3.241 2.319) 4.201 96.255 ( 0.309 -3.332 4.893) 5.928 96.272 ( -0.689 5.443 0.777) 5.541 96.412 ( 0.748 -8.911 -0.566) 8.960 98.548 ( -1.695 0.851 1.584) 2.471 98.554 ( 0.052 0.266 0.320) 0.420 99.487 ( 1.417 7.236 1.038) 7.446 99.639 ( 2.169 -8.919 -3.680) 9.889 104.747 ( 0.097 0.320 0.221) 0.400 104.752 ( 0.142 -0.092 -0.010) 0.169 104.857 ( 0.202 2.004 -1.846) 2.732 104.886 ( 0.748 -1.047 -2.992) 3.257 =================== 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 3/37800 10.0 12.953 9.854 14.609 0.000 -1.632 0.000 3/37800 20.0 4.386 3.002 5.551 0.000 -0.257 0.000 3/37800 30.0 2.408 1.578 3.140 0.000 -0.044 0.000 3/37800 40.0 1.624 1.047 2.150 0.000 0.003 0.000 3/37800 50.0 1.217 0.783 1.626 0.000 0.014 0.000 3/37800 60.0 0.972 0.628 1.306 0.000 0.016 0.000 3/37800 70.0 0.808 0.526 1.090 0.000 0.015 0.000 3/37800 80.0 0.692 0.453 0.936 0.000 0.014 0.000 3/37800 90.0 0.606 0.399 0.821 0.000 0.013 0.000 3/37800 100.0 0.539 0.357 0.732 0.000 0.011 0.000 3/37800 110.0 0.486 0.324 0.660 0.000 0.010 0.000 3/37800 120.0 0.443 0.296 0.602 0.000 0.009 0.000 3/37800 130.0 0.408 0.274 0.553 0.000 0.008 0.000 3/37800 140.0 0.377 0.254 0.512 0.000 0.007 0.000 3/37800 150.0 0.352 0.238 0.477 0.000 0.007 0.000 3/37800 160.0 0.329 0.223 0.446 0.000 0.006 0.000 3/37800 170.0 0.310 0.211 0.419 0.000 0.006 0.000 3/37800 180.0 0.292 0.199 0.396 0.000 0.005 0.000 3/37800 190.0 0.277 0.189 0.375 0.000 0.005 0.000 3/37800 200.0 0.263 0.180 0.356 0.000 0.004 0.000 3/37800 210.0 0.251 0.172 0.339 0.000 0.004 0.000 3/37800 220.0 0.240 0.165 0.323 0.000 0.004 0.000 3/37800 230.0 0.230 0.158 0.309 0.000 0.003 0.000 3/37800 240.0 0.220 0.152 0.297 0.000 0.003 0.000 3/37800 250.0 0.212 0.146 0.285 0.000 0.003 0.000 3/37800 260.0 0.204 0.141 0.274 0.000 0.003 0.000 3/37800 270.0 0.196 0.136 0.264 0.000 0.003 0.000 3/37800 280.0 0.190 0.132 0.254 0.000 0.002 0.000 3/37800 290.0 0.183 0.127 0.246 0.000 0.002 0.000 3/37800 300.0 0.177 0.123 0.238 0.000 0.002 0.000 3/37800 310.0 0.172 0.120 0.230 0.000 0.002 0.000 3/37800 320.0 0.167 0.116 0.223 0.000 0.002 0.000 3/37800 330.0 0.162 0.113 0.216 0.000 0.002 0.000 3/37800 340.0 0.157 0.110 0.210 0.000 0.002 0.000 3/37800 350.0 0.153 0.107 0.204 0.000 0.002 0.000 3/37800 360.0 0.149 0.104 0.198 0.000 0.001 0.000 3/37800 370.0 0.145 0.101 0.193 0.000 0.001 0.000 3/37800 380.0 0.141 0.099 0.188 0.000 0.001 0.000 3/37800 390.0 0.138 0.096 0.183 0.000 0.001 0.000 3/37800 400.0 0.134 0.094 0.179 0.000 0.001 0.000 3/37800 410.0 0.131 0.092 0.175 0.000 0.001 0.000 3/37800 420.0 0.128 0.090 0.170 0.000 0.001 0.000 3/37800 430.0 0.125 0.088 0.167 0.000 0.001 0.000 3/37800 440.0 0.123 0.086 0.163 0.000 0.001 0.000 3/37800 450.0 0.120 0.084 0.159 0.000 0.001 0.000 3/37800 460.0 0.118 0.083 0.156 0.000 0.001 0.000 3/37800 470.0 0.115 0.081 0.153 0.000 0.001 0.000 3/37800 480.0 0.113 0.079 0.149 0.000 0.001 0.000 3/37800 490.0 0.111 0.078 0.146 0.000 0.001 0.000 3/37800 500.0 0.108 0.077 0.144 0.000 0.001 0.000 3/37800 510.0 0.106 0.075 0.141 0.000 0.001 0.000 3/37800 520.0 0.105 0.074 0.138 0.000 0.001 0.000 3/37800 530.0 0.103 0.072 0.136 0.000 0.001 0.000 3/37800 540.0 0.101 0.071 0.133 0.000 0.001 0.000 3/37800 550.0 0.099 0.070 0.131 0.000 0.001 0.000 3/37800 560.0 0.097 0.069 0.128 0.000 0.000 0.000 3/37800 570.0 0.096 0.068 0.126 0.000 0.000 0.000 3/37800 580.0 0.094 0.067 0.124 0.000 0.000 0.000 3/37800 590.0 0.093 0.066 0.122 0.000 0.000 0.000 3/37800 600.0 0.091 0.065 0.120 0.000 0.000 0.000 3/37800 610.0 0.090 0.064 0.118 0.000 0.000 0.000 3/37800 620.0 0.088 0.063 0.116 0.000 0.000 0.000 3/37800 630.0 0.087 0.062 0.114 0.000 0.000 0.000 3/37800 640.0 0.086 0.061 0.113 0.000 0.000 0.000 3/37800 650.0 0.084 0.060 0.111 0.000 0.000 0.000 3/37800 660.0 0.083 0.059 0.109 0.000 0.000 0.000 3/37800 670.0 0.082 0.058 0.108 0.000 0.000 0.000 3/37800 680.0 0.081 0.058 0.106 0.000 0.000 0.000 3/37800 690.0 0.080 0.057 0.105 0.000 0.000 0.000 3/37800 700.0 0.079 0.056 0.103 0.000 0.000 0.000 3/37800 710.0 0.078 0.055 0.102 0.000 0.000 0.000 3/37800 720.0 0.077 0.055 0.100 0.000 0.000 0.000 3/37800 730.0 0.076 0.054 0.099 0.000 0.000 0.000 3/37800 740.0 0.075 0.053 0.098 0.000 0.000 0.000 3/37800 750.0 0.074 0.053 0.096 0.000 0.000 0.000 3/37800 760.0 0.073 0.052 0.095 0.000 0.000 0.000 3/37800 770.0 0.072 0.051 0.094 0.000 0.000 0.000 3/37800 780.0 0.071 0.051 0.093 0.000 0.000 0.000 3/37800 790.0 0.070 0.050 0.092 0.000 0.000 0.000 3/37800 800.0 0.069 0.050 0.090 0.000 0.000 0.000 3/37800 810.0 0.069 0.049 0.089 0.000 0.000 0.000 3/37800 820.0 0.068 0.049 0.088 0.000 0.000 0.000 3/37800 830.0 0.067 0.048 0.087 0.000 0.000 0.000 3/37800 840.0 0.066 0.047 0.086 0.000 0.000 0.000 3/37800 850.0 0.066 0.047 0.085 0.000 0.000 0.000 3/37800 860.0 0.065 0.046 0.084 0.000 0.000 0.000 3/37800 870.0 0.064 0.046 0.083 0.000 0.000 0.000 3/37800 880.0 0.063 0.046 0.082 0.000 0.000 0.000 3/37800 890.0 0.063 0.045 0.082 0.000 0.000 0.000 3/37800 900.0 0.062 0.045 0.081 0.000 0.000 0.000 3/37800 910.0 0.061 0.044 0.080 0.000 0.000 0.000 3/37800 920.0 0.061 0.044 0.079 0.000 0.000 0.000 3/37800 930.0 0.060 0.043 0.078 0.000 0.000 0.000 3/37800 940.0 0.060 0.043 0.077 0.000 0.000 0.000 3/37800 950.0 0.059 0.042 0.077 0.000 0.000 0.000 3/37800 960.0 0.058 0.042 0.076 0.000 0.000 0.000 3/37800 970.0 0.058 0.042 0.075 0.000 0.000 0.000 3/37800 980.0 0.057 0.041 0.074 0.000 0.000 0.000 3/37800 990.0 0.057 0.041 0.074 0.000 0.000 0.000 3/37800 1000.0 0.056 0.041 0.073 0.000 0.000 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m1057.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:03:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|