----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:38:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.879845510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): *1 Sc 0.55360890807975 0.75000000000000 0.38890298483373 44.956 2 Sc 0.44639109192025 0.25000000000000 0.61109701516627 44.956 3 Sc 0.05360890807975 0.75000000000000 0.11109701516626 44.956 4 Sc 0.94639109192025 0.25000000000000 0.88890298483373 44.956 *5 Sc 0.58341085645885 0.75000000000000 0.90800511908794 44.956 6 Sc 0.41658914354115 0.25000000000000 0.09199488091206 44.956 7 Sc 0.08341085645885 0.75000000000000 0.59199488091206 44.956 8 Sc 0.91658914354115 0.25000000000000 0.40800511908794 44.956 *9 Pb 0.24316039246389 0.75000000000000 0.32150754680236 207.200 10 Pb 0.75683960753611 0.25000000000000 0.67849245319764 207.200 11 Pb 0.74316039246389 0.75000000000000 0.17849245319764 207.200 12 Pb 0.25683960753611 0.25000000000000 0.82150754680236 207.200 *13 Se 0.79737468568515 0.75000000000000 0.84408212345741 78.960 14 Se 0.20262531431485 0.25000000000000 0.15591787654259 78.960 15 Se 0.29737468568515 0.75000000000000 0.65591787654259 78.960 16 Se 0.70262531431485 0.25000000000000 0.34408212345741 78.960 *17 Se 0.87478347484739 0.75000000000000 0.53377360743558 78.960 18 Se 0.12521652515261 0.25000000000000 0.46622639256442 78.960 19 Se 0.37478347484739 0.75000000000000 0.96622639256442 78.960 20 Se 0.62521652515261 0.25000000000000 0.03377360743558 78.960 *21 Se 0.46508529915207 0.75000000000000 0.21501022944452 78.960 22 Se 0.53491470084793 0.25000000000000 0.78498977055548 78.960 23 Se 0.96508529915207 0.75000000000000 0.28498977055547 78.960 24 Se 0.03491470084793 0.25000000000000 0.71501022944452 78.960 *25 Se 0.59248433873229 0.75000000000000 0.57301970303019 78.960 26 Se 0.40751566126771 0.25000000000000 0.42698029696981 78.960 27 Se 0.09248433873229 0.75000000000000 0.92698029696981 78.960 28 Se 0.90751566126771 0.25000000000000 0.07301970303018 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.879845510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): *1 Sc 0.55360890807975 0.75000000000000 0.38890298483373 44.956 > 1 2 Sc 0.44639109192025 0.25000000000000 0.61109701516627 44.956 > 2 3 Sc 0.05360890807975 0.75000000000000 0.11109701516626 44.956 > 3 4 Sc 0.94639109192025 0.25000000000000 0.88890298483373 44.956 > 4 *5 Sc 0.58341085645885 0.75000000000000 0.90800511908794 44.956 > 5 6 Sc 0.41658914354115 0.25000000000000 0.09199488091206 44.956 > 6 7 Sc 0.08341085645885 0.75000000000000 0.59199488091206 44.956 > 7 8 Sc 0.91658914354115 0.25000000000000 0.40800511908794 44.956 > 8 *9 Pb 0.24316039246389 0.75000000000000 0.32150754680236 207.200 > 9 10 Pb 0.75683960753611 0.25000000000000 0.67849245319764 207.200 > 10 11 Pb 0.74316039246389 0.75000000000000 0.17849245319764 207.200 > 11 12 Pb 0.25683960753611 0.25000000000000 0.82150754680236 207.200 > 12 *13 Se 0.79737468568515 0.75000000000000 0.84408212345741 78.960 > 13 14 Se 0.20262531431485 0.25000000000000 0.15591787654259 78.960 > 14 15 Se 0.29737468568515 0.75000000000000 0.65591787654259 78.960 > 15 16 Se 0.70262531431485 0.25000000000000 0.34408212345741 78.960 > 16 *17 Se 0.87478347484739 0.75000000000000 0.53377360743558 78.960 > 17 18 Se 0.12521652515261 0.25000000000000 0.46622639256442 78.960 > 18 19 Se 0.37478347484739 0.75000000000000 0.96622639256442 78.960 > 19 20 Se 0.62521652515261 0.25000000000000 0.03377360743558 78.960 > 20 *21 Se 0.46508529915207 0.75000000000000 0.21501022944452 78.960 > 21 22 Se 0.53491470084793 0.25000000000000 0.78498977055548 78.960 > 22 23 Se 0.96508529915207 0.75000000000000 0.28498977055547 78.960 > 23 24 Se 0.03491470084793 0.25000000000000 0.71501022944452 78.960 > 24 *25 Se 0.59248433873229 0.75000000000000 0.57301970303019 78.960 > 25 26 Se 0.40751566126771 0.25000000000000 0.42698029696981 78.960 > 26 27 Se 0.09248433873229 0.75000000000000 0.92698029696981 78.960 > 27 28 Se 0.90751566126771 0.25000000000000 0.07301970303018 78.960 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.519382040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): *1 Sc 0.55360890807975 0.18750000000000 0.38890298483373 44.956 > 1 2 Sc 0.55360890807975 0.43750000000000 0.38890298483373 44.956 > 1 3 Sc 0.55360890807975 0.68750000000000 0.38890298483373 44.956 > 1 4 Sc 0.55360890807975 0.93750000000000 0.38890298483373 44.956 > 1 5 Sc 0.44639109192025 0.06250000000000 0.61109701516627 44.956 > 2 6 Sc 0.44639109192025 0.31250000000000 0.61109701516627 44.956 > 2 7 Sc 0.44639109192025 0.56250000000000 0.61109701516627 44.956 > 2 8 Sc 0.44639109192025 0.81250000000000 0.61109701516627 44.956 > 2 9 Sc 0.05360890807975 0.18750000000000 0.11109701516626 44.956 > 3 10 Sc 0.05360890807975 0.43750000000000 0.11109701516626 44.956 > 3 11 Sc 0.05360890807975 0.68750000000000 0.11109701516626 44.956 > 3 12 Sc 0.05360890807975 0.93750000000000 0.11109701516626 44.956 > 3 13 Sc 0.94639109192025 0.06250000000000 0.88890298483373 44.956 > 4 14 Sc 0.94639109192025 0.31250000000000 0.88890298483373 44.956 > 4 15 Sc 0.94639109192025 0.56250000000000 0.88890298483373 44.956 > 4 16 Sc 0.94639109192025 0.81250000000000 0.88890298483373 44.956 > 4 *17 Sc 0.58341085645885 0.18750000000000 0.90800511908794 44.956 > 5 18 Sc 0.58341085645885 0.43750000000000 0.90800511908794 44.956 > 5 19 Sc 0.58341085645885 0.68750000000000 0.90800511908794 44.956 > 5 20 Sc 0.58341085645885 0.93750000000000 0.90800511908794 44.956 > 5 21 Sc 0.41658914354115 0.06250000000000 0.09199488091206 44.956 > 6 22 Sc 0.41658914354115 0.31250000000000 0.09199488091206 44.956 > 6 23 Sc 0.41658914354115 0.56250000000000 0.09199488091206 44.956 > 6 24 Sc 0.41658914354115 0.81250000000000 0.09199488091206 44.956 > 6 25 Sc 0.08341085645885 0.18750000000000 0.59199488091206 44.956 > 7 26 Sc 0.08341085645885 0.43750000000000 0.59199488091206 44.956 > 7 27 Sc 0.08341085645885 0.68750000000000 0.59199488091206 44.956 > 7 28 Sc 0.08341085645885 0.93750000000000 0.59199488091206 44.956 > 7 29 Sc 0.91658914354115 0.06250000000000 0.40800511908794 44.956 > 8 30 Sc 0.91658914354115 0.31250000000000 0.40800511908794 44.956 > 8 31 Sc 0.91658914354115 0.56250000000000 0.40800511908794 44.956 > 8 32 Sc 0.91658914354115 0.81250000000000 0.40800511908794 44.956 > 8 *33 Pb 0.24316039246389 0.18750000000000 0.32150754680236 207.200 > 9 34 Pb 0.24316039246389 0.43750000000000 0.32150754680236 207.200 > 9 35 Pb 0.24316039246389 0.68750000000000 0.32150754680236 207.200 > 9 36 Pb 0.24316039246389 0.93750000000000 0.32150754680236 207.200 > 9 37 Pb 0.75683960753611 0.06250000000000 0.67849245319764 207.200 > 10 38 Pb 0.75683960753611 0.31250000000000 0.67849245319764 207.200 > 10 39 Pb 0.75683960753611 0.56250000000000 0.67849245319764 207.200 > 10 40 Pb 0.75683960753611 0.81250000000000 0.67849245319764 207.200 > 10 41 Pb 0.74316039246389 0.18750000000000 0.17849245319764 207.200 > 11 42 Pb 0.74316039246389 0.43750000000000 0.17849245319764 207.200 > 11 43 Pb 0.74316039246389 0.68750000000000 0.17849245319764 207.200 > 11 44 Pb 0.74316039246389 0.93750000000000 0.17849245319764 207.200 > 11 45 Pb 0.25683960753611 0.06250000000000 0.82150754680236 207.200 > 12 46 Pb 0.25683960753611 0.31250000000000 0.82150754680236 207.200 > 12 47 Pb 0.25683960753611 0.56250000000000 0.82150754680236 207.200 > 12 48 Pb 0.25683960753611 0.81250000000000 0.82150754680236 207.200 > 12 *49 Se 0.79737468568515 0.18750000000000 0.84408212345741 78.960 > 13 50 Se 0.79737468568515 0.43750000000000 0.84408212345741 78.960 > 13 51 Se 0.79737468568515 0.68750000000000 0.84408212345741 78.960 > 13 52 Se 0.79737468568515 0.93750000000000 0.84408212345741 78.960 > 13 53 Se 0.20262531431485 0.06250000000000 0.15591787654259 78.960 > 14 54 Se 0.20262531431485 0.31250000000000 0.15591787654259 78.960 > 14 55 Se 0.20262531431485 0.56250000000000 0.15591787654259 78.960 > 14 56 Se 0.20262531431485 0.81250000000000 0.15591787654259 78.960 > 14 57 Se 0.29737468568515 0.18750000000000 0.65591787654259 78.960 > 15 58 Se 0.29737468568515 0.43750000000000 0.65591787654259 78.960 > 15 59 Se 0.29737468568515 0.68750000000000 0.65591787654259 78.960 > 15 60 Se 0.29737468568515 0.93750000000000 0.65591787654259 78.960 > 15 61 Se 0.70262531431485 0.06250000000000 0.34408212345741 78.960 > 16 62 Se 0.70262531431485 0.31250000000000 0.34408212345741 78.960 > 16 63 Se 0.70262531431485 0.56250000000000 0.34408212345741 78.960 > 16 64 Se 0.70262531431485 0.81250000000000 0.34408212345741 78.960 > 16 *65 Se 0.87478347484739 0.18750000000000 0.53377360743558 78.960 > 17 66 Se 0.87478347484739 0.43750000000000 0.53377360743558 78.960 > 17 67 Se 0.87478347484739 0.68750000000000 0.53377360743558 78.960 > 17 68 Se 0.87478347484739 0.93750000000000 0.53377360743558 78.960 > 17 69 Se 0.12521652515261 0.06250000000000 0.46622639256442 78.960 > 18 70 Se 0.12521652515261 0.31250000000000 0.46622639256442 78.960 > 18 71 Se 0.12521652515261 0.56250000000000 0.46622639256442 78.960 > 18 72 Se 0.12521652515261 0.81250000000000 0.46622639256442 78.960 > 18 73 Se 0.37478347484739 0.18750000000000 0.96622639256442 78.960 > 19 74 Se 0.37478347484739 0.43750000000000 0.96622639256442 78.960 > 19 75 Se 0.37478347484739 0.68750000000000 0.96622639256442 78.960 > 19 76 Se 0.37478347484739 0.93750000000000 0.96622639256442 78.960 > 19 77 Se 0.62521652515261 0.06250000000000 0.03377360743558 78.960 > 20 78 Se 0.62521652515261 0.31250000000000 0.03377360743558 78.960 > 20 79 Se 0.62521652515261 0.56250000000000 0.03377360743558 78.960 > 20 80 Se 0.62521652515261 0.81250000000000 0.03377360743558 78.960 > 20 *81 Se 0.46508529915207 0.18750000000000 0.21501022944452 78.960 > 21 82 Se 0.46508529915207 0.43750000000000 0.21501022944452 78.960 > 21 83 Se 0.46508529915207 0.68750000000000 0.21501022944452 78.960 > 21 84 Se 0.46508529915207 0.93750000000000 0.21501022944452 78.960 > 21 85 Se 0.53491470084793 0.06250000000000 0.78498977055548 78.960 > 22 86 Se 0.53491470084793 0.31250000000000 0.78498977055548 78.960 > 22 87 Se 0.53491470084793 0.56250000000000 0.78498977055548 78.960 > 22 88 Se 0.53491470084793 0.81250000000000 0.78498977055548 78.960 > 22 89 Se 0.96508529915207 0.18750000000000 0.28498977055547 78.960 > 23 90 Se 0.96508529915207 0.43750000000000 0.28498977055547 78.960 > 23 91 Se 0.96508529915207 0.68750000000000 0.28498977055547 78.960 > 23 92 Se 0.96508529915207 0.93750000000000 0.28498977055547 78.960 > 23 93 Se 0.03491470084793 0.06250000000000 0.71501022944452 78.960 > 24 94 Se 0.03491470084793 0.31250000000000 0.71501022944452 78.960 > 24 95 Se 0.03491470084793 0.56250000000000 0.71501022944452 78.960 > 24 96 Se 0.03491470084793 0.81250000000000 0.71501022944452 78.960 > 24 *97 Se 0.59248433873229 0.18750000000000 0.57301970303019 78.960 > 25 98 Se 0.59248433873229 0.43750000000000 0.57301970303019 78.960 > 25 99 Se 0.59248433873229 0.68750000000000 0.57301970303019 78.960 > 25 100 Se 0.59248433873229 0.93750000000000 0.57301970303019 78.960 > 25 101 Se 0.40751566126771 0.06250000000000 0.42698029696981 78.960 > 26 102 Se 0.40751566126771 0.31250000000000 0.42698029696981 78.960 > 26 103 Se 0.40751566126771 0.56250000000000 0.42698029696981 78.960 > 26 104 Se 0.40751566126771 0.81250000000000 0.42698029696981 78.960 > 26 105 Se 0.09248433873229 0.18750000000000 0.92698029696981 78.960 > 27 106 Se 0.09248433873229 0.43750000000000 0.92698029696981 78.960 > 27 107 Se 0.09248433873229 0.68750000000000 0.92698029696981 78.960 > 27 108 Se 0.09248433873229 0.93750000000000 0.92698029696981 78.960 > 27 109 Se 0.90751566126771 0.06250000000000 0.07301970303018 78.960 > 28 110 Se 0.90751566126771 0.31250000000000 0.07301970303018 78.960 > 28 111 Se 0.90751566126771 0.56250000000000 0.07301970303018 78.960 > 28 112 Se 0.90751566126771 0.81250000000000 0.07301970303018 78.960 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.8945816 0.0000000 0.0000000 0.0000000 12.8163050 0.0000000 0.0000000 0.0000000 12.5036555 -------------------------- Born effective charges -------------------------- 1 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 2 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 3 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 4 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 5 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 6 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 7 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 8 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 9 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 10 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 11 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 12 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 13 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 14 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 15 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 16 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 17 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 18 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 19 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 20 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 21 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 22 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 23 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 24 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 25 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 26 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 27 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 28 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.130 Solver_block: 200 / 480 - Time: 3.084 Solver_block: 300 / 480 - Time: 3.082 Solver_block: 400 / 480 - Time: 3.083 Solver_block: 480 / 480 - Time: 2.494 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.923 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 10:39:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:39:10]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.879845510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): 1 Sc 0.55360890807975 0.75000000000000 0.38890298483373 44.956 2 Sc 0.44639109192025 0.25000000000000 0.61109701516627 44.956 3 Sc 0.05360890807975 0.75000000000000 0.11109701516626 44.956 4 Sc 0.94639109192025 0.25000000000000 0.88890298483373 44.956 5 Sc 0.58341085645885 0.75000000000000 0.90800511908794 44.956 6 Sc 0.41658914354115 0.25000000000000 0.09199488091206 44.956 7 Sc 0.08341085645885 0.75000000000000 0.59199488091206 44.956 8 Sc 0.91658914354115 0.25000000000000 0.40800511908794 44.956 9 Pb 0.24316039246389 0.75000000000000 0.32150754680236 207.200 10 Pb 0.75683960753611 0.25000000000000 0.67849245319764 207.200 11 Pb 0.74316039246389 0.75000000000000 0.17849245319764 207.200 12 Pb 0.25683960753611 0.25000000000000 0.82150754680236 207.200 13 Se 0.79737468568515 0.75000000000000 0.84408212345741 78.960 14 Se 0.20262531431485 0.25000000000000 0.15591787654259 78.960 15 Se 0.29737468568515 0.75000000000000 0.65591787654259 78.960 16 Se 0.70262531431485 0.25000000000000 0.34408212345741 78.960 17 Se 0.87478347484739 0.75000000000000 0.53377360743558 78.960 18 Se 0.12521652515261 0.25000000000000 0.46622639256442 78.960 19 Se 0.37478347484739 0.75000000000000 0.96622639256442 78.960 20 Se 0.62521652515261 0.25000000000000 0.03377360743558 78.960 21 Se 0.46508529915207 0.75000000000000 0.21501022944452 78.960 22 Se 0.53491470084793 0.25000000000000 0.78498977055548 78.960 23 Se 0.96508529915207 0.75000000000000 0.28498977055547 78.960 24 Se 0.03491470084793 0.25000000000000 0.71501022944452 78.960 25 Se 0.59248433873229 0.75000000000000 0.57301970303019 78.960 26 Se 0.40751566126771 0.25000000000000 0.42698029696981 78.960 27 Se 0.09248433873229 0.75000000000000 0.92698029696981 78.960 28 Se 0.90751566126771 0.25000000000000 0.07301970303018 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.519382040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): 1 Sc 0.55360890807975 0.18750000000000 0.38890298483373 44.956 > 1 2 Sc 0.55360890807975 0.43750000000000 0.38890298483373 44.956 > 1 3 Sc 0.55360890807975 0.68750000000000 0.38890298483373 44.956 > 1 4 Sc 0.55360890807975 0.93750000000000 0.38890298483373 44.956 > 1 5 Sc 0.44639109192025 0.06250000000000 0.61109701516627 44.956 > 5 6 Sc 0.44639109192025 0.31250000000000 0.61109701516627 44.956 > 5 7 Sc 0.44639109192025 0.56250000000000 0.61109701516627 44.956 > 5 8 Sc 0.44639109192025 0.81250000000000 0.61109701516627 44.956 > 5 9 Sc 0.05360890807975 0.18750000000000 0.11109701516626 44.956 > 9 10 Sc 0.05360890807975 0.43750000000000 0.11109701516626 44.956 > 9 11 Sc 0.05360890807975 0.68750000000000 0.11109701516626 44.956 > 9 12 Sc 0.05360890807975 0.93750000000000 0.11109701516626 44.956 > 9 13 Sc 0.94639109192025 0.06250000000000 0.88890298483373 44.956 > 13 14 Sc 0.94639109192025 0.31250000000000 0.88890298483373 44.956 > 13 15 Sc 0.94639109192025 0.56250000000000 0.88890298483373 44.956 > 13 16 Sc 0.94639109192025 0.81250000000000 0.88890298483373 44.956 > 13 17 Sc 0.58341085645885 0.18750000000000 0.90800511908794 44.956 > 17 18 Sc 0.58341085645885 0.43750000000000 0.90800511908794 44.956 > 17 19 Sc 0.58341085645885 0.68750000000000 0.90800511908794 44.956 > 17 20 Sc 0.58341085645885 0.93750000000000 0.90800511908794 44.956 > 17 21 Sc 0.41658914354115 0.06250000000000 0.09199488091206 44.956 > 21 22 Sc 0.41658914354115 0.31250000000000 0.09199488091206 44.956 > 21 23 Sc 0.41658914354115 0.56250000000000 0.09199488091206 44.956 > 21 24 Sc 0.41658914354115 0.81250000000000 0.09199488091206 44.956 > 21 25 Sc 0.08341085645885 0.18750000000000 0.59199488091206 44.956 > 25 26 Sc 0.08341085645885 0.43750000000000 0.59199488091206 44.956 > 25 27 Sc 0.08341085645885 0.68750000000000 0.59199488091206 44.956 > 25 28 Sc 0.08341085645885 0.93750000000000 0.59199488091206 44.956 > 25 29 Sc 0.91658914354115 0.06250000000000 0.40800511908794 44.956 > 29 30 Sc 0.91658914354115 0.31250000000000 0.40800511908794 44.956 > 29 31 Sc 0.91658914354115 0.56250000000000 0.40800511908794 44.956 > 29 32 Sc 0.91658914354115 0.81250000000000 0.40800511908794 44.956 > 29 33 Pb 0.24316039246389 0.18750000000000 0.32150754680236 207.200 > 33 34 Pb 0.24316039246389 0.43750000000000 0.32150754680236 207.200 > 33 35 Pb 0.24316039246389 0.68750000000000 0.32150754680236 207.200 > 33 36 Pb 0.24316039246389 0.93750000000000 0.32150754680236 207.200 > 33 37 Pb 0.75683960753611 0.06250000000000 0.67849245319764 207.200 > 37 38 Pb 0.75683960753611 0.31250000000000 0.67849245319764 207.200 > 37 39 Pb 0.75683960753611 0.56250000000000 0.67849245319764 207.200 > 37 40 Pb 0.75683960753611 0.81250000000000 0.67849245319764 207.200 > 37 41 Pb 0.74316039246389 0.18750000000000 0.17849245319764 207.200 > 41 42 Pb 0.74316039246389 0.43750000000000 0.17849245319764 207.200 > 41 43 Pb 0.74316039246389 0.68750000000000 0.17849245319764 207.200 > 41 44 Pb 0.74316039246389 0.93750000000000 0.17849245319764 207.200 > 41 45 Pb 0.25683960753611 0.06250000000000 0.82150754680236 207.200 > 45 46 Pb 0.25683960753611 0.31250000000000 0.82150754680236 207.200 > 45 47 Pb 0.25683960753611 0.56250000000000 0.82150754680236 207.200 > 45 48 Pb 0.25683960753611 0.81250000000000 0.82150754680236 207.200 > 45 49 Se 0.79737468568515 0.18750000000000 0.84408212345741 78.960 > 49 50 Se 0.79737468568515 0.43750000000000 0.84408212345741 78.960 > 49 51 Se 0.79737468568515 0.68750000000000 0.84408212345741 78.960 > 49 52 Se 0.79737468568515 0.93750000000000 0.84408212345741 78.960 > 49 53 Se 0.20262531431485 0.06250000000000 0.15591787654259 78.960 > 53 54 Se 0.20262531431485 0.31250000000000 0.15591787654259 78.960 > 53 55 Se 0.20262531431485 0.56250000000000 0.15591787654259 78.960 > 53 56 Se 0.20262531431485 0.81250000000000 0.15591787654259 78.960 > 53 57 Se 0.29737468568515 0.18750000000000 0.65591787654259 78.960 > 57 58 Se 0.29737468568515 0.43750000000000 0.65591787654259 78.960 > 57 59 Se 0.29737468568515 0.68750000000000 0.65591787654259 78.960 > 57 60 Se 0.29737468568515 0.93750000000000 0.65591787654259 78.960 > 57 61 Se 0.70262531431485 0.06250000000000 0.34408212345741 78.960 > 61 62 Se 0.70262531431485 0.31250000000000 0.34408212345741 78.960 > 61 63 Se 0.70262531431485 0.56250000000000 0.34408212345741 78.960 > 61 64 Se 0.70262531431485 0.81250000000000 0.34408212345741 78.960 > 61 65 Se 0.87478347484739 0.18750000000000 0.53377360743558 78.960 > 65 66 Se 0.87478347484739 0.43750000000000 0.53377360743558 78.960 > 65 67 Se 0.87478347484739 0.68750000000000 0.53377360743558 78.960 > 65 68 Se 0.87478347484739 0.93750000000000 0.53377360743558 78.960 > 65 69 Se 0.12521652515261 0.06250000000000 0.46622639256442 78.960 > 69 70 Se 0.12521652515261 0.31250000000000 0.46622639256442 78.960 > 69 71 Se 0.12521652515261 0.56250000000000 0.46622639256442 78.960 > 69 72 Se 0.12521652515261 0.81250000000000 0.46622639256442 78.960 > 69 73 Se 0.37478347484739 0.18750000000000 0.96622639256442 78.960 > 73 74 Se 0.37478347484739 0.43750000000000 0.96622639256442 78.960 > 73 75 Se 0.37478347484739 0.68750000000000 0.96622639256442 78.960 > 73 76 Se 0.37478347484739 0.93750000000000 0.96622639256442 78.960 > 73 77 Se 0.62521652515261 0.06250000000000 0.03377360743558 78.960 > 77 78 Se 0.62521652515261 0.31250000000000 0.03377360743558 78.960 > 77 79 Se 0.62521652515261 0.56250000000000 0.03377360743558 78.960 > 77 80 Se 0.62521652515261 0.81250000000000 0.03377360743558 78.960 > 77 81 Se 0.46508529915207 0.18750000000000 0.21501022944452 78.960 > 81 82 Se 0.46508529915207 0.43750000000000 0.21501022944452 78.960 > 81 83 Se 0.46508529915207 0.68750000000000 0.21501022944452 78.960 > 81 84 Se 0.46508529915207 0.93750000000000 0.21501022944452 78.960 > 81 85 Se 0.53491470084793 0.06250000000000 0.78498977055548 78.960 > 85 86 Se 0.53491470084793 0.31250000000000 0.78498977055548 78.960 > 85 87 Se 0.53491470084793 0.56250000000000 0.78498977055548 78.960 > 85 88 Se 0.53491470084793 0.81250000000000 0.78498977055548 78.960 > 85 89 Se 0.96508529915207 0.18750000000000 0.28498977055547 78.960 > 89 90 Se 0.96508529915207 0.43750000000000 0.28498977055547 78.960 > 89 91 Se 0.96508529915207 0.68750000000000 0.28498977055547 78.960 > 89 92 Se 0.96508529915207 0.93750000000000 0.28498977055547 78.960 > 89 93 Se 0.03491470084793 0.06250000000000 0.71501022944452 78.960 > 93 94 Se 0.03491470084793 0.31250000000000 0.71501022944452 78.960 > 93 95 Se 0.03491470084793 0.56250000000000 0.71501022944452 78.960 > 93 96 Se 0.03491470084793 0.81250000000000 0.71501022944452 78.960 > 93 97 Se 0.59248433873229 0.18750000000000 0.57301970303019 78.960 > 97 98 Se 0.59248433873229 0.43750000000000 0.57301970303019 78.960 > 97 99 Se 0.59248433873229 0.68750000000000 0.57301970303019 78.960 > 97 100 Se 0.59248433873229 0.93750000000000 0.57301970303019 78.960 > 97 101 Se 0.40751566126771 0.06250000000000 0.42698029696981 78.960 > 101 102 Se 0.40751566126771 0.31250000000000 0.42698029696981 78.960 > 101 103 Se 0.40751566126771 0.56250000000000 0.42698029696981 78.960 > 101 104 Se 0.40751566126771 0.81250000000000 0.42698029696981 78.960 > 101 105 Se 0.09248433873229 0.18750000000000 0.92698029696981 78.960 > 105 106 Se 0.09248433873229 0.43750000000000 0.92698029696981 78.960 > 105 107 Se 0.09248433873229 0.68750000000000 0.92698029696981 78.960 > 105 108 Se 0.09248433873229 0.93750000000000 0.92698029696981 78.960 > 105 109 Se 0.90751566126771 0.06250000000000 0.07301970303018 78.960 > 109 110 Se 0.90751566126771 0.31250000000000 0.07301970303018 78.960 > 109 111 Se 0.90751566126771 0.56250000000000 0.07301970303018 78.960 > 109 112 Se 0.90751566126771 0.81250000000000 0.07301970303018 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.8945816 0.0000000 0.0000000 0.0000000 12.8163050 0.0000000 0.0000000 0.0000000 12.5036555 -------------------------- Born effective charges -------------------------- 1 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 2 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 3 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 4 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 5 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 6 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 7 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 8 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 9 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 10 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 11 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 12 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 13 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 14 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 15 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 16 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 17 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 18 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 19 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 20 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 21 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 22 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 23 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 24 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 25 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 26 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 27 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 28 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxx) 0.00000000 (yxx) 0.00000000 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:39:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:39:35]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.879845510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): 1 Sc 0.55360890807975 0.75000000000000 0.38890298483373 44.956 2 Sc 0.44639109192025 0.25000000000000 0.61109701516627 44.956 3 Sc 0.05360890807975 0.75000000000000 0.11109701516626 44.956 4 Sc 0.94639109192025 0.25000000000000 0.88890298483373 44.956 5 Sc 0.58341085645885 0.75000000000000 0.90800511908794 44.956 6 Sc 0.41658914354115 0.25000000000000 0.09199488091206 44.956 7 Sc 0.08341085645885 0.75000000000000 0.59199488091206 44.956 8 Sc 0.91658914354115 0.25000000000000 0.40800511908794 44.956 9 Pb 0.24316039246389 0.75000000000000 0.32150754680236 207.200 10 Pb 0.75683960753611 0.25000000000000 0.67849245319764 207.200 11 Pb 0.74316039246389 0.75000000000000 0.17849245319764 207.200 12 Pb 0.25683960753611 0.25000000000000 0.82150754680236 207.200 13 Se 0.79737468568515 0.75000000000000 0.84408212345741 78.960 14 Se 0.20262531431485 0.25000000000000 0.15591787654259 78.960 15 Se 0.29737468568515 0.75000000000000 0.65591787654259 78.960 16 Se 0.70262531431485 0.25000000000000 0.34408212345741 78.960 17 Se 0.87478347484739 0.75000000000000 0.53377360743558 78.960 18 Se 0.12521652515261 0.25000000000000 0.46622639256442 78.960 19 Se 0.37478347484739 0.75000000000000 0.96622639256442 78.960 20 Se 0.62521652515261 0.25000000000000 0.03377360743558 78.960 21 Se 0.46508529915207 0.75000000000000 0.21501022944452 78.960 22 Se 0.53491470084793 0.25000000000000 0.78498977055548 78.960 23 Se 0.96508529915207 0.75000000000000 0.28498977055547 78.960 24 Se 0.03491470084793 0.25000000000000 0.71501022944452 78.960 25 Se 0.59248433873229 0.75000000000000 0.57301970303019 78.960 26 Se 0.40751566126771 0.25000000000000 0.42698029696981 78.960 27 Se 0.09248433873229 0.75000000000000 0.92698029696981 78.960 28 Se 0.90751566126771 0.25000000000000 0.07301970303018 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.140467250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.519382040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.136302400000000 Atomic positions (fractional): 1 Sc 0.55360890807975 0.18750000000000 0.38890298483373 44.956 > 1 2 Sc 0.55360890807975 0.43750000000000 0.38890298483373 44.956 > 1 3 Sc 0.55360890807975 0.68750000000000 0.38890298483373 44.956 > 1 4 Sc 0.55360890807975 0.93750000000000 0.38890298483373 44.956 > 1 5 Sc 0.44639109192025 0.06250000000000 0.61109701516627 44.956 > 5 6 Sc 0.44639109192025 0.31250000000000 0.61109701516627 44.956 > 5 7 Sc 0.44639109192025 0.56250000000000 0.61109701516627 44.956 > 5 8 Sc 0.44639109192025 0.81250000000000 0.61109701516627 44.956 > 5 9 Sc 0.05360890807975 0.18750000000000 0.11109701516626 44.956 > 9 10 Sc 0.05360890807975 0.43750000000000 0.11109701516626 44.956 > 9 11 Sc 0.05360890807975 0.68750000000000 0.11109701516626 44.956 > 9 12 Sc 0.05360890807975 0.93750000000000 0.11109701516626 44.956 > 9 13 Sc 0.94639109192025 0.06250000000000 0.88890298483373 44.956 > 13 14 Sc 0.94639109192025 0.31250000000000 0.88890298483373 44.956 > 13 15 Sc 0.94639109192025 0.56250000000000 0.88890298483373 44.956 > 13 16 Sc 0.94639109192025 0.81250000000000 0.88890298483373 44.956 > 13 17 Sc 0.58341085645885 0.18750000000000 0.90800511908794 44.956 > 17 18 Sc 0.58341085645885 0.43750000000000 0.90800511908794 44.956 > 17 19 Sc 0.58341085645885 0.68750000000000 0.90800511908794 44.956 > 17 20 Sc 0.58341085645885 0.93750000000000 0.90800511908794 44.956 > 17 21 Sc 0.41658914354115 0.06250000000000 0.09199488091206 44.956 > 21 22 Sc 0.41658914354115 0.31250000000000 0.09199488091206 44.956 > 21 23 Sc 0.41658914354115 0.56250000000000 0.09199488091206 44.956 > 21 24 Sc 0.41658914354115 0.81250000000000 0.09199488091206 44.956 > 21 25 Sc 0.08341085645885 0.18750000000000 0.59199488091206 44.956 > 25 26 Sc 0.08341085645885 0.43750000000000 0.59199488091206 44.956 > 25 27 Sc 0.08341085645885 0.68750000000000 0.59199488091206 44.956 > 25 28 Sc 0.08341085645885 0.93750000000000 0.59199488091206 44.956 > 25 29 Sc 0.91658914354115 0.06250000000000 0.40800511908794 44.956 > 29 30 Sc 0.91658914354115 0.31250000000000 0.40800511908794 44.956 > 29 31 Sc 0.91658914354115 0.56250000000000 0.40800511908794 44.956 > 29 32 Sc 0.91658914354115 0.81250000000000 0.40800511908794 44.956 > 29 33 Pb 0.24316039246389 0.18750000000000 0.32150754680236 207.200 > 33 34 Pb 0.24316039246389 0.43750000000000 0.32150754680236 207.200 > 33 35 Pb 0.24316039246389 0.68750000000000 0.32150754680236 207.200 > 33 36 Pb 0.24316039246389 0.93750000000000 0.32150754680236 207.200 > 33 37 Pb 0.75683960753611 0.06250000000000 0.67849245319764 207.200 > 37 38 Pb 0.75683960753611 0.31250000000000 0.67849245319764 207.200 > 37 39 Pb 0.75683960753611 0.56250000000000 0.67849245319764 207.200 > 37 40 Pb 0.75683960753611 0.81250000000000 0.67849245319764 207.200 > 37 41 Pb 0.74316039246389 0.18750000000000 0.17849245319764 207.200 > 41 42 Pb 0.74316039246389 0.43750000000000 0.17849245319764 207.200 > 41 43 Pb 0.74316039246389 0.68750000000000 0.17849245319764 207.200 > 41 44 Pb 0.74316039246389 0.93750000000000 0.17849245319764 207.200 > 41 45 Pb 0.25683960753611 0.06250000000000 0.82150754680236 207.200 > 45 46 Pb 0.25683960753611 0.31250000000000 0.82150754680236 207.200 > 45 47 Pb 0.25683960753611 0.56250000000000 0.82150754680236 207.200 > 45 48 Pb 0.25683960753611 0.81250000000000 0.82150754680236 207.200 > 45 49 Se 0.79737468568515 0.18750000000000 0.84408212345741 78.960 > 49 50 Se 0.79737468568515 0.43750000000000 0.84408212345741 78.960 > 49 51 Se 0.79737468568515 0.68750000000000 0.84408212345741 78.960 > 49 52 Se 0.79737468568515 0.93750000000000 0.84408212345741 78.960 > 49 53 Se 0.20262531431485 0.06250000000000 0.15591787654259 78.960 > 53 54 Se 0.20262531431485 0.31250000000000 0.15591787654259 78.960 > 53 55 Se 0.20262531431485 0.56250000000000 0.15591787654259 78.960 > 53 56 Se 0.20262531431485 0.81250000000000 0.15591787654259 78.960 > 53 57 Se 0.29737468568515 0.18750000000000 0.65591787654259 78.960 > 57 58 Se 0.29737468568515 0.43750000000000 0.65591787654259 78.960 > 57 59 Se 0.29737468568515 0.68750000000000 0.65591787654259 78.960 > 57 60 Se 0.29737468568515 0.93750000000000 0.65591787654259 78.960 > 57 61 Se 0.70262531431485 0.06250000000000 0.34408212345741 78.960 > 61 62 Se 0.70262531431485 0.31250000000000 0.34408212345741 78.960 > 61 63 Se 0.70262531431485 0.56250000000000 0.34408212345741 78.960 > 61 64 Se 0.70262531431485 0.81250000000000 0.34408212345741 78.960 > 61 65 Se 0.87478347484739 0.18750000000000 0.53377360743558 78.960 > 65 66 Se 0.87478347484739 0.43750000000000 0.53377360743558 78.960 > 65 67 Se 0.87478347484739 0.68750000000000 0.53377360743558 78.960 > 65 68 Se 0.87478347484739 0.93750000000000 0.53377360743558 78.960 > 65 69 Se 0.12521652515261 0.06250000000000 0.46622639256442 78.960 > 69 70 Se 0.12521652515261 0.31250000000000 0.46622639256442 78.960 > 69 71 Se 0.12521652515261 0.56250000000000 0.46622639256442 78.960 > 69 72 Se 0.12521652515261 0.81250000000000 0.46622639256442 78.960 > 69 73 Se 0.37478347484739 0.18750000000000 0.96622639256442 78.960 > 73 74 Se 0.37478347484739 0.43750000000000 0.96622639256442 78.960 > 73 75 Se 0.37478347484739 0.68750000000000 0.96622639256442 78.960 > 73 76 Se 0.37478347484739 0.93750000000000 0.96622639256442 78.960 > 73 77 Se 0.62521652515261 0.06250000000000 0.03377360743558 78.960 > 77 78 Se 0.62521652515261 0.31250000000000 0.03377360743558 78.960 > 77 79 Se 0.62521652515261 0.56250000000000 0.03377360743558 78.960 > 77 80 Se 0.62521652515261 0.81250000000000 0.03377360743558 78.960 > 77 81 Se 0.46508529915207 0.18750000000000 0.21501022944452 78.960 > 81 82 Se 0.46508529915207 0.43750000000000 0.21501022944452 78.960 > 81 83 Se 0.46508529915207 0.68750000000000 0.21501022944452 78.960 > 81 84 Se 0.46508529915207 0.93750000000000 0.21501022944452 78.960 > 81 85 Se 0.53491470084793 0.06250000000000 0.78498977055548 78.960 > 85 86 Se 0.53491470084793 0.31250000000000 0.78498977055548 78.960 > 85 87 Se 0.53491470084793 0.56250000000000 0.78498977055548 78.960 > 85 88 Se 0.53491470084793 0.81250000000000 0.78498977055548 78.960 > 85 89 Se 0.96508529915207 0.18750000000000 0.28498977055547 78.960 > 89 90 Se 0.96508529915207 0.43750000000000 0.28498977055547 78.960 > 89 91 Se 0.96508529915207 0.68750000000000 0.28498977055547 78.960 > 89 92 Se 0.96508529915207 0.93750000000000 0.28498977055547 78.960 > 89 93 Se 0.03491470084793 0.06250000000000 0.71501022944452 78.960 > 93 94 Se 0.03491470084793 0.31250000000000 0.71501022944452 78.960 > 93 95 Se 0.03491470084793 0.56250000000000 0.71501022944452 78.960 > 93 96 Se 0.03491470084793 0.81250000000000 0.71501022944452 78.960 > 93 97 Se 0.59248433873229 0.18750000000000 0.57301970303019 78.960 > 97 98 Se 0.59248433873229 0.43750000000000 0.57301970303019 78.960 > 97 99 Se 0.59248433873229 0.68750000000000 0.57301970303019 78.960 > 97 100 Se 0.59248433873229 0.93750000000000 0.57301970303019 78.960 > 97 101 Se 0.40751566126771 0.06250000000000 0.42698029696981 78.960 > 101 102 Se 0.40751566126771 0.31250000000000 0.42698029696981 78.960 > 101 103 Se 0.40751566126771 0.56250000000000 0.42698029696981 78.960 > 101 104 Se 0.40751566126771 0.81250000000000 0.42698029696981 78.960 > 101 105 Se 0.09248433873229 0.18750000000000 0.92698029696981 78.960 > 105 106 Se 0.09248433873229 0.43750000000000 0.92698029696981 78.960 > 105 107 Se 0.09248433873229 0.68750000000000 0.92698029696981 78.960 > 105 108 Se 0.09248433873229 0.93750000000000 0.92698029696981 78.960 > 105 109 Se 0.90751566126771 0.06250000000000 0.07301970303018 78.960 > 109 110 Se 0.90751566126771 0.31250000000000 0.07301970303018 78.960 > 109 111 Se 0.90751566126771 0.56250000000000 0.07301970303018 78.960 > 109 112 Se 0.90751566126771 0.81250000000000 0.07301970303018 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.8945816 0.0000000 0.0000000 0.0000000 12.8163050 0.0000000 0.0000000 0.0000000 12.5036555 -------------------------- Born effective charges -------------------------- 1 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 2 Sc 3.5837269 0.0000000 0.2260788 0.0000000 4.7766234 0.0000000 -0.4000772 0.0000000 4.7629460 3 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 4 Sc 3.5837269 0.0000000 -0.2260788 0.0000000 4.7766234 0.0000000 0.4000772 0.0000000 4.7629460 5 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 6 Sc 3.4041752 0.0000000 -0.5788268 0.0000000 4.9643002 0.0000000 -0.4697017 0.0000000 4.2025768 7 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 8 Sc 3.4041752 0.0000000 0.5788268 0.0000000 4.9643002 0.0000000 0.4697017 0.0000000 4.2025768 9 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 10 Pb 4.9281219 0.0000000 -0.1727801 0.0000000 3.9945030 0.0000000 -0.1473988 0.0000000 4.2822207 11 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 12 Pb 4.9281219 0.0000000 0.1727801 0.0000000 3.9945030 0.0000000 0.1473988 0.0000000 4.2822207 13 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 14 Se -3.4115340 0.0000000 -0.3406537 0.0000000 -3.7051177 0.0000000 -0.4293380 0.0000000 -2.5001088 15 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 16 Se -3.4115340 0.0000000 0.3406537 0.0000000 -3.7051177 0.0000000 0.4293380 0.0000000 -2.5001088 17 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 18 Se -2.6003083 0.0000000 0.5495369 0.0000000 -3.6945282 0.0000000 0.2705223 0.0000000 -3.5000288 19 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 20 Se -2.6003083 0.0000000 -0.5495369 0.0000000 -3.6945282 0.0000000 -0.2705223 0.0000000 -3.5000288 21 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 22 Se -3.0257118 0.0000000 -0.3932206 0.0000000 -2.8124323 0.0000000 -0.3145028 0.0000000 -3.9825744 23 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 24 Se -3.0257118 0.0000000 0.3932206 0.0000000 -2.8124323 0.0000000 0.3145028 0.0000000 -3.9825744 25 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 26 Se -2.8784699 0.0000000 -0.6417097 0.0000000 -3.5233484 0.0000000 -0.3109792 0.0000000 -3.2650315 27 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 28 Se -2.8784699 0.0000000 0.6417097 0.0000000 -3.5233484 0.0000000 0.3109792 0.0000000 -3.2650315 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxx) 0.00000000 (yxx) 0.00000000 (yxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 4 13 4 ] 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: 0.48, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 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 0.889 ( 0.000 0.000 0.000) 0.000 0.922 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 18.906 0.000 0.000) 18.906 0.404 ( 18.519 0.000 0.000) 18.519 0.747 ( 29.794 0.000 0.000) 29.794 0.923 ( -5.644 0.000 0.000) 5.644 0.943 ( 1.874 0.000 0.000) 1.874 0.964 ( 7.386 0.000 0.000) 7.386 1.030 ( -0.890 0.000 0.000) 0.890 1.062 ( -10.314 0.000 0.000) 10.314 1.166 ( -6.298 0.000 0.000) 6.298 1.274 ( -2.071 0.000 0.000) 2.071 1.289 ( 0.875 0.000 0.000) 0.875 1.408 ( -4.467 0.000 0.000) 4.467 1.410 ( -11.938 0.000 0.000) 11.938 1.471 ( 5.495 0.000 0.000) 5.495 1.479 ( -1.114 0.000 0.000) 1.114 1.792 ( 9.212 0.000 0.000) 9.212 1.906 ( -1.807 0.000 0.000) 1.807 1.909 ( -1.489 0.000 0.000) 1.489 1.924 ( 4.918 0.000 0.000) 4.918 2.027 ( -7.234 0.000 0.000) 7.234 2.140 ( 5.237 0.000 0.000) 5.237 2.344 ( -3.302 0.000 0.000) 3.302 2.344 ( 2.769 0.000 0.000) 2.769 2.345 ( 8.307 0.000 0.000) 8.307 2.418 ( 3.399 0.000 0.000) 3.399 2.540 ( -1.628 0.000 0.000) 1.628 2.693 ( -3.057 0.000 0.000) 3.057 2.840 ( -1.044 0.000 0.000) 1.044 2.908 ( 2.305 0.000 0.000) 2.305 2.996 ( -0.508 0.000 0.000) 0.508 3.048 ( -1.377 0.000 0.000) 1.377 3.136 ( -0.225 0.000 0.000) 0.225 3.229 ( -2.094 0.000 0.000) 2.094 3.267 ( -3.759 0.000 0.000) 3.759 3.300 ( -0.024 0.000 0.000) 0.024 3.343 ( -1.791 0.000 0.000) 1.791 3.431 ( -2.333 0.000 0.000) 2.333 3.440 ( -2.727 0.000 0.000) 2.727 3.590 ( -9.169 0.000 0.000) 9.169 3.613 ( -9.947 0.000 0.000) 9.947 3.682 ( 2.040 0.000 0.000) 2.040 3.783 ( -1.813 0.000 0.000) 1.813 3.875 ( 1.485 0.000 0.000) 1.485 3.938 ( -0.474 0.000 0.000) 0.474 3.946 ( -1.074 0.000 0.000) 1.074 3.964 ( 0.295 0.000 0.000) 0.295 3.989 ( -0.811 0.000 0.000) 0.811 4.023 ( 0.467 0.000 0.000) 0.467 4.043 ( -3.167 0.000 0.000) 3.167 4.047 ( -0.450 0.000 0.000) 0.450 4.210 ( 3.243 0.000 0.000) 3.243 4.316 ( 2.410 0.000 0.000) 2.410 4.571 ( -0.646 0.000 0.000) 0.646 4.845 ( -6.718 0.000 0.000) 6.718 4.956 ( 6.443 0.000 0.000) 6.443 4.995 ( 5.462 0.000 0.000) 5.462 5.192 ( 1.045 0.000 0.000) 1.045 5.247 ( -1.096 0.000 0.000) 1.096 5.253 ( 0.736 0.000 0.000) 0.736 5.262 ( 5.588 0.000 0.000) 5.588 5.289 ( -0.640 0.000 0.000) 0.640 5.382 ( 1.186 0.000 0.000) 1.186 5.563 ( 1.635 0.000 0.000) 1.635 5.572 ( 0.435 0.000 0.000) 0.435 5.588 ( -0.656 0.000 0.000) 0.656 5.596 ( -0.499 0.000 0.000) 0.499 5.621 ( 0.147 0.000 0.000) 0.147 5.626 ( -0.001 0.000 0.000) 0.001 6.215 ( 4.241 0.000 0.000) 4.241 6.297 ( 1.166 0.000 0.000) 1.166 6.370 ( -0.528 0.000 0.000) 0.528 6.476 ( -2.629 0.000 0.000) 2.629 6.621 ( 2.708 0.000 0.000) 2.708 6.645 ( 2.433 0.000 0.000) 2.433 7.083 ( 5.455 0.000 0.000) 5.455 7.487 ( -7.671 0.000 0.000) 7.671 7.616 ( 3.400 0.000 0.000) 3.400 7.683 ( 0.442 0.000 0.000) 0.442 7.858 ( -3.915 0.000 0.000) 3.915 7.905 ( -6.963 0.000 0.000) 6.963 8.153 ( 0.160 0.000 0.000) 0.160 8.154 ( 0.085 0.000 0.000) 0.085 8.307 ( 4.724 0.000 0.000) 4.724 8.452 ( -2.569 0.000 0.000) 2.569 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -12.919 0.000 0.000) 12.919 0.735 ( 12.919 0.000 0.000) 12.919 0.768 ( -16.525 0.000 0.000) 16.525 0.768 ( 16.525 0.000 0.000) 16.525 0.991 ( -2.538 0.000 0.000) 2.538 0.991 ( 2.538 0.000 0.000) 2.538 1.040 ( -5.972 0.000 0.000) 5.972 1.040 ( 5.972 0.000 0.000) 5.972 1.181 ( -9.720 0.000 0.000) 9.720 1.181 ( 9.720 0.000 0.000) 9.720 1.325 ( -2.894 0.000 0.000) 2.894 1.325 ( 2.894 0.000 0.000) 2.894 1.405 ( -7.975 0.000 0.000) 7.975 1.405 ( 7.975 0.000 0.000) 7.975 1.716 ( -17.685 0.000 0.000) 17.685 1.716 ( 17.685 0.000 0.000) 17.685 1.889 ( -0.197 0.000 0.000) 0.197 1.889 ( 0.197 0.000 0.000) 0.197 1.943 ( -5.245 0.000 0.000) 5.245 1.943 ( 5.245 0.000 0.000) 5.245 2.253 ( -5.314 0.000 0.000) 5.314 2.253 ( 5.314 0.000 0.000) 5.314 2.407 ( -2.245 0.000 0.000) 2.245 2.407 ( 2.245 0.000 0.000) 2.245 2.490 ( -3.165 0.000 0.000) 3.165 2.490 ( 3.165 0.000 0.000) 3.165 2.761 ( -7.365 0.000 0.000) 7.365 2.761 ( 7.365 0.000 0.000) 7.365 2.963 ( -2.838 0.000 0.000) 2.838 2.963 ( 2.838 0.000 0.000) 2.838 3.079 ( -4.641 0.000 0.000) 4.641 3.079 ( 4.641 0.000 0.000) 4.641 3.211 ( -0.503 0.000 0.000) 0.503 3.211 ( 0.503 0.000 0.000) 0.503 3.276 ( -0.969 0.000 0.000) 0.969 3.276 ( 0.969 0.000 0.000) 0.969 3.434 ( -4.625 0.000 0.000) 4.625 3.434 ( 4.625 0.000 0.000) 4.625 3.475 ( -4.073 0.000 0.000) 4.073 3.475 ( 4.073 0.000 0.000) 4.073 3.734 ( -2.730 0.000 0.000) 2.730 3.734 ( 2.730 0.000 0.000) 2.730 3.913 ( -1.950 0.000 0.000) 1.950 3.913 ( 1.950 0.000 0.000) 1.950 3.973 ( -0.620 0.000 0.000) 0.620 3.973 ( 0.620 0.000 0.000) 0.620 3.975 ( -3.114 0.000 0.000) 3.114 3.975 ( 3.114 0.000 0.000) 3.114 4.035 ( -0.643 0.000 0.000) 0.643 4.035 ( 0.643 0.000 0.000) 0.643 4.287 ( -3.775 0.000 0.000) 3.775 4.287 ( 3.775 0.000 0.000) 3.775 4.668 ( -8.624 0.000 0.000) 8.624 4.668 ( 8.624 0.000 0.000) 8.624 5.049 ( -1.353 0.000 0.000) 1.353 5.049 ( 1.353 0.000 0.000) 1.353 5.219 ( -1.483 0.000 0.000) 1.483 5.219 ( 1.483 0.000 0.000) 1.483 5.272 ( -0.988 0.000 0.000) 0.988 5.272 ( 0.988 0.000 0.000) 0.988 5.365 ( -3.276 0.000 0.000) 3.276 5.365 ( 3.276 0.000 0.000) 3.276 5.582 ( -0.202 0.000 0.000) 0.202 5.582 ( 0.202 0.000 0.000) 0.202 5.584 ( -0.622 0.000 0.000) 0.622 5.584 ( 0.622 0.000 0.000) 0.622 5.625 ( -0.136 0.000 0.000) 0.136 5.625 ( 0.136 0.000 0.000) 0.136 6.284 ( -2.261 0.000 0.000) 2.261 6.284 ( 2.261 0.000 0.000) 2.261 6.409 ( -3.514 0.000 0.000) 3.514 6.409 ( 3.514 0.000 0.000) 3.514 6.666 ( -0.918 0.000 0.000) 0.918 6.666 ( 0.918 0.000 0.000) 0.918 7.272 ( -11.702 0.000 0.000) 11.702 7.272 ( 11.702 0.000 0.000) 11.702 7.691 ( -1.919 0.000 0.000) 1.919 7.691 ( 1.919 0.000 0.000) 1.919 7.797 ( -1.141 0.000 0.000) 1.141 7.797 ( 1.141 0.000 0.000) 1.141 8.156 ( -0.034 0.000 0.000) 0.034 8.156 ( 0.034 0.000 0.000) 0.034 8.391 ( -3.415 0.000 0.000) 3.415 8.391 ( 3.415 0.000 0.000) 3.415 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 19.021 0.000) 19.021 0.490 ( 0.000 23.506 0.000) 23.506 0.824 ( 0.000 36.844 0.000) 36.844 0.907 ( 0.000 2.136 0.000) 2.136 1.067 ( 0.000 12.105 0.000) 12.105 1.083 ( 0.000 8.211 0.000) 8.211 1.110 ( 0.000 7.272 0.000) 7.272 1.213 ( 0.000 1.084 0.000) 1.084 1.231 ( 0.000 -1.456 0.000) 1.456 1.246 ( 0.000 2.628 0.000) 2.628 1.298 ( 0.000 1.367 0.000) 1.367 1.414 ( 0.000 -2.219 0.000) 2.219 1.497 ( 0.000 -4.006 0.000) 4.006 1.626 ( 0.000 4.584 0.000) 4.584 1.648 ( 0.000 7.697 0.000) 7.697 1.725 ( 0.000 13.298 0.000) 13.298 1.727 ( 0.000 1.061 0.000) 1.061 1.753 ( 0.000 3.293 0.000) 3.293 2.079 ( 0.000 9.160 0.000) 9.160 2.086 ( 0.000 -3.897 0.000) 3.897 2.092 ( 0.000 14.042 0.000) 14.042 2.143 ( 0.000 5.437 0.000) 5.437 2.243 ( 0.000 6.561 0.000) 6.561 2.432 ( 0.000 4.405 0.000) 4.405 2.535 ( 0.000 11.678 0.000) 11.678 2.681 ( 0.000 12.059 0.000) 12.059 2.743 ( 0.000 0.312 0.000) 0.312 2.853 ( 0.000 -2.050 0.000) 2.050 2.875 ( 0.000 2.217 0.000) 2.217 2.950 ( 0.000 0.015 0.000) 0.015 2.963 ( 0.000 -3.400 0.000) 3.400 3.057 ( 0.000 -1.779 0.000) 1.779 3.121 ( 0.000 -0.974 0.000) 0.974 3.267 ( 0.000 -6.498 0.000) 6.498 3.306 ( 0.000 2.884 0.000) 2.884 3.315 ( 0.000 -2.319 0.000) 2.319 3.366 ( 0.000 -8.602 0.000) 8.602 3.452 ( 0.000 2.722 0.000) 2.722 3.678 ( 0.000 -5.836 0.000) 5.836 3.722 ( 0.000 -0.083 0.000) 0.083 3.799 ( 0.000 9.323 0.000) 9.323 3.813 ( 0.000 -8.927 0.000) 8.927 3.861 ( 0.000 2.964 0.000) 2.964 3.963 ( 0.000 -0.627 0.000) 0.627 3.972 ( 0.000 8.279 0.000) 8.279 3.998 ( 0.000 3.706 0.000) 3.706 4.011 ( 0.000 0.722 0.000) 0.722 4.044 ( 0.000 -2.193 0.000) 2.193 4.103 ( 0.000 8.282 0.000) 8.282 4.123 ( 0.000 -2.058 0.000) 2.058 4.179 ( 0.000 7.157 0.000) 7.157 4.254 ( 0.000 0.538 0.000) 0.538 4.535 ( 0.000 -5.011 0.000) 5.011 4.848 ( 0.000 -1.513 0.000) 1.513 4.859 ( 0.000 -3.496 0.000) 3.496 4.900 ( 0.000 -0.921 0.000) 0.921 5.152 ( 0.000 -1.236 0.000) 1.236 5.342 ( 0.000 -2.583 0.000) 2.583 5.348 ( 0.000 -0.625 0.000) 0.625 5.368 ( 0.000 15.337 0.000) 15.337 5.432 ( 0.000 6.477 0.000) 6.477 5.468 ( 0.000 -2.509 0.000) 2.509 5.520 ( 0.000 16.100 0.000) 16.100 5.609 ( 0.000 12.890 0.000) 12.890 5.744 ( 0.000 9.105 0.000) 9.105 5.767 ( 0.000 11.681 0.000) 11.681 5.847 ( 0.000 11.861 0.000) 11.861 6.171 ( 0.000 3.312 0.000) 3.312 6.212 ( 0.000 6.560 0.000) 6.560 6.274 ( 0.000 -0.551 0.000) 0.551 6.498 ( 0.000 -0.676 0.000) 0.676 6.563 ( 0.000 -2.159 0.000) 2.159 6.682 ( 0.000 7.393 0.000) 7.393 7.022 ( 0.000 -1.125 0.000) 1.125 7.046 ( 0.000 0.465 0.000) 0.465 7.483 ( 0.000 -9.046 0.000) 9.046 7.504 ( 0.000 -6.108 0.000) 6.108 7.613 ( 0.000 -6.598 0.000) 6.598 7.816 ( 0.000 -8.385 0.000) 8.385 7.903 ( 0.000 -9.556 0.000) 9.556 8.020 ( 0.000 -0.633 0.000) 0.633 8.032 ( 0.000 -11.899 0.000) 11.899 8.092 ( 0.000 -13.359 0.000) 13.359 8.342 ( 0.000 -12.281 0.000) 12.281 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 10.654 17.261 0.000) 20.285 0.633 ( 14.733 12.740 0.000) 19.478 0.887 ( 1.958 2.326 0.000) 3.040 1.016 ( 10.942 16.896 0.000) 20.130 1.035 ( -3.742 7.430 0.000) 8.319 1.079 ( -4.636 4.732 0.000) 6.624 1.089 ( -0.079 9.682 0.000) 9.682 1.127 ( -2.060 7.613 0.000) 7.886 1.188 ( -2.275 4.124 0.000) 4.710 1.290 ( 0.659 3.647 0.000) 3.706 1.383 ( -8.026 -2.139 0.000) 8.306 1.388 ( 5.437 2.042 0.000) 5.808 1.413 ( -1.232 -1.112 0.000) 1.660 1.571 ( 1.618 13.897 0.000) 13.991 1.603 ( -5.278 11.286 0.000) 12.459 1.813 ( 8.558 2.759 0.000) 8.992 1.876 ( 3.916 2.560 0.000) 4.679 1.925 ( 7.251 -7.083 0.000) 10.136 2.021 ( -5.025 0.108 0.000) 5.026 2.064 ( -1.432 7.223 0.000) 7.363 2.109 ( 4.404 8.963 0.000) 9.986 2.263 ( 8.789 1.882 0.000) 8.988 2.307 ( 1.717 3.426 0.000) 3.832 2.450 ( 3.503 3.884 0.000) 5.230 2.535 ( 0.524 9.901 0.000) 9.915 2.666 ( -1.635 12.039 0.000) 12.150 2.707 ( -3.268 2.224 0.000) 3.953 2.839 ( -1.575 -0.113 0.000) 1.579 2.893 ( 1.152 -1.083 0.000) 1.581 2.950 ( -1.365 -4.516 0.000) 4.718 2.998 ( 4.369 -4.651 0.000) 6.381 3.025 ( -0.980 -1.026 0.000) 1.419 3.183 ( 3.555 -2.002 0.000) 4.080 3.233 ( -2.820 -4.805 0.000) 5.572 3.241 ( -5.238 -1.008 0.000) 5.335 3.282 ( -5.444 -5.172 0.000) 7.509 3.343 ( 1.475 -1.153 0.000) 1.872 3.438 ( -2.544 0.903 0.000) 2.699 3.520 ( -11.020 -6.280 0.000) 12.684 3.591 ( -9.169 0.579 0.000) 9.187 3.807 ( 0.818 8.695 0.000) 8.733 3.822 ( 1.528 -6.122 0.000) 6.310 3.855 ( 0.036 4.610 0.000) 4.610 3.949 ( -1.077 -1.348 0.000) 1.725 3.979 ( 0.765 5.701 0.000) 5.752 4.003 ( -0.073 0.927 0.000) 0.930 4.016 ( 0.401 2.747 0.000) 2.776 4.032 ( -2.183 1.773 0.000) 2.812 4.107 ( 0.510 6.455 0.000) 6.475 4.150 ( -1.409 7.373 0.000) 7.507 4.164 ( 4.203 -1.959 0.000) 4.637 4.308 ( 0.886 -0.026 0.000) 0.886 4.534 ( 1.955 -2.799 0.000) 3.414 4.795 ( -6.082 -3.345 0.000) 6.941 4.929 ( 5.841 -2.374 0.000) 6.305 4.979 ( 5.241 -0.996 0.000) 5.335 5.204 ( 3.711 -0.913 0.000) 3.822 5.299 ( -1.781 4.499 0.000) 4.839 5.367 ( 2.596 -4.209 0.000) 4.945 5.425 ( 1.951 5.899 0.000) 6.213 5.440 ( 0.803 9.484 0.000) 9.518 5.477 ( 0.305 0.518 0.000) 0.601 5.511 ( -0.548 16.729 0.000) 16.738 5.582 ( -2.790 15.177 0.000) 15.431 5.764 ( 1.792 9.854 0.000) 10.016 5.778 ( 1.409 12.051 0.000) 12.133 5.837 ( -0.978 12.410 0.000) 12.448 6.022 ( -11.773 16.128 0.000) 19.968 6.257 ( 3.147 4.668 0.000) 5.630 6.303 ( 1.741 0.651 0.000) 1.859 6.488 ( -1.001 0.838 0.000) 1.306 6.513 ( -6.783 4.685 0.000) 8.244 6.694 ( -5.940 12.769 0.000) 14.083 6.698 ( 0.983 5.986 0.000) 6.066 7.084 ( 4.581 -0.474 0.000) 4.606 7.433 ( -6.549 -6.296 0.000) 9.085 7.523 ( 3.687 -8.750 0.000) 9.495 7.614 ( -0.022 -6.588 0.000) 6.588 7.771 ( -4.065 -8.660 0.000) 9.566 7.801 ( -6.832 -10.010 0.000) 12.119 8.032 ( 0.270 -11.393 0.000) 11.397 8.044 ( 0.347 -6.939 0.000) 6.948 8.175 ( 5.028 -12.566 0.000) 13.534 8.316 ( -2.203 -12.458 0.000) 12.652 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -8.055 10.335 0.000) 13.104 0.854 ( 8.055 10.335 0.000) 13.104 0.910 ( -7.563 8.965 0.000) 11.729 0.910 ( 7.563 8.965 0.000) 11.729 0.966 ( -3.115 1.313 0.000) 3.381 0.966 ( 3.115 1.313 0.000) 3.381 1.160 ( -1.018 9.293 0.000) 9.348 1.160 ( 1.018 9.293 0.000) 9.348 1.208 ( -7.442 3.592 0.000) 8.264 1.208 ( 7.442 3.592 0.000) 8.264 1.376 ( -3.568 0.830 0.000) 3.663 1.376 ( 3.568 0.830 0.000) 3.663 1.493 ( -5.169 7.926 0.000) 9.462 1.493 ( 5.169 7.926 0.000) 9.462 1.764 ( -13.614 9.765 0.000) 16.754 1.764 ( 13.614 9.765 0.000) 16.754 1.931 ( -3.647 1.929 0.000) 4.126 1.931 ( 3.647 1.929 0.000) 4.126 2.015 ( -3.335 4.585 0.000) 5.670 2.015 ( 3.335 4.585 0.000) 5.670 2.231 ( -5.980 2.231 0.000) 6.382 2.231 ( 5.980 2.231 0.000) 6.382 2.443 ( -7.965 2.809 0.000) 8.446 2.443 ( 7.965 2.809 0.000) 8.446 2.603 ( -5.166 9.542 0.000) 10.851 2.603 ( 5.166 9.542 0.000) 10.851 2.743 ( -7.265 0.299 0.000) 7.271 2.743 ( 7.265 0.299 0.000) 7.271 2.920 ( -1.439 -3.790 0.000) 4.054 2.920 ( 1.439 -3.790 0.000) 4.054 3.059 ( -2.175 -1.956 0.000) 2.925 3.059 ( 2.175 -1.956 0.000) 2.925 3.166 ( -2.840 -5.474 0.000) 6.167 3.166 ( 2.840 -5.474 0.000) 6.167 3.194 ( -0.499 -2.818 0.000) 2.861 3.194 ( 0.499 -2.818 0.000) 2.861 3.395 ( -3.172 -1.901 0.000) 3.698 3.395 ( 3.172 -1.901 0.000) 3.698 3.432 ( -5.101 0.168 0.000) 5.104 3.432 ( 5.101 0.168 0.000) 5.104 3.827 ( -0.868 5.324 0.000) 5.395 3.827 ( 0.868 5.324 0.000) 5.395 3.901 ( -3.361 -3.284 0.000) 4.699 3.901 ( 3.361 -3.284 0.000) 4.699 3.993 ( -0.519 1.863 0.000) 1.934 3.993 ( 0.519 1.863 0.000) 1.934 4.016 ( -0.427 5.411 0.000) 5.428 4.016 ( 0.427 5.411 0.000) 5.428 4.125 ( -1.087 6.702 0.000) 6.790 4.125 ( 1.087 6.702 0.000) 6.790 4.258 ( -4.403 -1.344 0.000) 4.603 4.258 ( 4.403 -1.344 0.000) 4.603 4.643 ( -7.509 -1.606 0.000) 7.679 4.643 ( 7.509 -1.606 0.000) 7.679 5.020 ( -1.886 -2.415 0.000) 3.065 5.020 ( 1.886 -2.415 0.000) 3.065 5.266 ( -2.072 1.707 0.000) 2.684 5.266 ( 2.072 1.707 0.000) 2.684 5.427 ( -1.989 -5.039 0.000) 5.418 5.427 ( 1.989 -5.039 0.000) 5.418 5.464 ( -1.240 11.780 0.000) 11.845 5.464 ( 1.240 11.780 0.000) 11.845 5.519 ( -2.015 17.356 0.000) 17.473 5.519 ( 2.016 17.356 0.000) 17.473 5.803 ( -1.561 11.065 0.000) 11.175 5.803 ( 1.561 11.065 0.000) 11.175 5.844 ( -4.857 16.506 0.000) 17.205 5.844 ( 4.857 16.506 0.000) 17.205 6.306 ( -1.497 2.495 0.000) 2.910 6.306 ( 1.497 2.495 0.000) 2.910 6.459 ( -1.204 4.028 0.000) 4.204 6.459 ( 1.204 4.028 0.000) 4.204 6.695 ( -1.377 4.146 0.000) 4.369 6.695 ( 1.377 4.146 0.000) 4.369 7.248 ( -10.233 -3.217 0.000) 10.726 7.248 ( 10.233 -3.217 0.000) 10.726 7.607 ( -2.556 -7.797 0.000) 8.205 7.607 ( 2.556 -7.797 0.000) 8.205 7.703 ( -0.589 -9.223 0.000) 9.241 7.703 ( 0.589 -9.223 0.000) 9.241 8.040 ( -0.434 -9.976 0.000) 9.985 8.040 ( 0.434 -9.976 0.000) 9.985 8.260 ( -3.282 -12.311 0.000) 12.741 8.260 ( 3.282 -12.311 0.000) 12.741 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 10.602 0.000) 10.602 0.898 ( 0.000 16.495 0.000) 16.495 0.916 ( 0.000 -0.245 0.000) 0.245 1.204 ( 0.000 -0.394 0.000) 0.394 1.234 ( 0.000 5.279 0.000) 5.279 1.256 ( 0.000 3.391 0.000) 3.391 1.276 ( 0.000 6.333 0.000) 6.333 1.293 ( 0.000 10.063 0.000) 10.063 1.347 ( 0.000 7.029 0.000) 7.029 1.371 ( 0.000 9.056 0.000) 9.056 1.388 ( 0.000 17.442 0.000) 17.442 1.390 ( 0.000 -3.772 0.000) 3.772 1.413 ( 0.000 1.521 0.000) 1.521 1.722 ( 0.000 6.509 0.000) 6.509 1.788 ( 0.000 5.616 0.000) 5.616 1.896 ( 0.000 10.723 0.000) 10.723 2.005 ( 0.000 27.182 0.000) 27.182 2.043 ( 0.000 14.278 0.000) 14.278 2.059 ( 0.000 1.730 0.000) 1.730 2.214 ( 0.000 6.665 0.000) 6.665 2.223 ( 0.000 2.185 0.000) 2.185 2.424 ( 0.000 17.562 0.000) 17.562 2.465 ( 0.000 13.892 0.000) 13.892 2.497 ( 0.000 1.714 0.000) 1.714 2.712 ( 0.000 2.574 0.000) 2.574 2.780 ( 0.000 3.014 0.000) 3.014 2.800 ( 0.000 -2.886 0.000) 2.886 2.873 ( 0.000 -2.064 0.000) 2.064 2.901 ( 0.000 -1.320 0.000) 1.320 2.976 ( 0.000 10.115 0.000) 10.115 3.046 ( 0.000 15.165 0.000) 15.165 3.069 ( 0.000 5.487 0.000) 5.487 3.097 ( 0.000 -1.434 0.000) 1.434 3.150 ( 0.000 -3.675 0.000) 3.675 3.190 ( 0.000 -8.178 0.000) 8.178 3.261 ( 0.000 -2.960 0.000) 2.960 3.480 ( 0.000 13.674 0.000) 13.674 3.513 ( 0.000 -0.602 0.000) 0.602 3.559 ( 0.000 -5.403 0.000) 5.403 3.700 ( 0.000 2.148 0.000) 2.148 3.742 ( 0.000 2.312 0.000) 2.312 3.902 ( 0.000 -2.424 0.000) 2.424 3.923 ( 0.000 3.034 0.000) 3.034 3.959 ( 0.000 2.446 0.000) 2.446 4.012 ( 0.000 -0.952 0.000) 0.952 4.015 ( 0.000 0.845 0.000) 0.845 4.084 ( 0.000 4.546 0.000) 4.546 4.110 ( 0.000 5.288 0.000) 5.288 4.179 ( 0.000 6.894 0.000) 6.894 4.282 ( 0.000 2.526 0.000) 2.526 4.297 ( 0.000 4.474 0.000) 4.474 4.311 ( 0.000 11.212 0.000) 11.212 4.449 ( 0.000 -3.381 0.000) 3.381 4.799 ( 0.000 -2.130 0.000) 2.130 4.801 ( 0.000 -3.256 0.000) 3.256 4.900 ( 0.000 0.883 0.000) 0.883 5.146 ( 0.000 0.269 0.000) 0.269 5.217 ( 0.000 -6.836 0.000) 6.836 5.336 ( 0.000 -0.679 0.000) 0.679 5.400 ( 0.000 -2.742 0.000) 2.742 5.679 ( 0.000 12.540 0.000) 12.540 5.708 ( 0.000 13.364 0.000) 13.364 5.818 ( 0.000 11.972 0.000) 11.972 5.872 ( 0.000 11.180 0.000) 11.180 5.903 ( 0.000 7.509 0.000) 7.509 5.971 ( 0.000 8.052 0.000) 8.052 5.998 ( 0.000 4.261 0.000) 4.261 6.253 ( 0.000 -1.876 0.000) 1.876 6.288 ( 0.000 8.218 0.000) 8.218 6.377 ( 0.000 4.767 0.000) 4.767 6.515 ( 0.000 -2.256 0.000) 2.256 6.531 ( 0.000 7.091 0.000) 7.091 6.874 ( 0.000 7.654 0.000) 7.654 6.934 ( 0.000 -8.884 0.000) 8.884 6.992 ( 0.000 -6.395 0.000) 6.395 7.289 ( 0.000 -7.939 0.000) 7.939 7.388 ( 0.000 -4.264 0.000) 4.264 7.450 ( 0.000 -8.602 0.000) 8.602 7.591 ( 0.000 -13.558 0.000) 13.558 7.654 ( 0.000 -14.963 0.000) 14.963 7.742 ( 0.000 -14.699 0.000) 14.699 7.774 ( 0.000 -15.673 0.000) 15.673 7.994 ( 0.000 -2.037 0.000) 2.037 8.045 ( 0.000 -15.626 0.000) 15.626 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 9.965 6.955 0.000) 12.152 0.921 ( 1.917 1.787 0.000) 2.621 0.950 ( 4.526 14.049 0.000) 14.760 1.103 ( -5.496 2.855 0.000) 6.193 1.197 ( -4.531 5.773 0.000) 7.338 1.227 ( -5.623 5.412 0.000) 7.804 1.280 ( 0.330 5.303 0.000) 5.313 1.303 ( 2.658 4.229 0.000) 4.995 1.354 ( -3.774 0.325 0.000) 3.788 1.367 ( -0.720 10.124 0.000) 10.150 1.381 ( 2.329 6.982 0.000) 7.360 1.421 ( 1.343 4.636 0.000) 4.827 1.487 ( 6.541 9.859 0.000) 11.832 1.763 ( -4.793 6.055 0.000) 7.722 1.796 ( 7.301 5.117 0.000) 8.916 1.933 ( 3.412 8.035 0.000) 8.729 2.016 ( 0.852 6.546 0.000) 6.601 2.079 ( 5.946 26.465 0.000) 27.125 2.081 ( -2.140 6.190 0.000) 6.550 2.206 ( -0.252 9.834 0.000) 9.837 2.287 ( 6.421 2.310 0.000) 6.824 2.413 ( -0.784 14.743 0.000) 14.764 2.472 ( 1.514 9.804 0.000) 9.920 2.500 ( 0.687 2.830 0.000) 2.913 2.669 ( -5.117 2.576 0.000) 5.729 2.795 ( 2.035 3.312 0.000) 3.887 2.811 ( 0.084 -2.322 0.000) 2.323 2.861 ( -1.035 -2.594 0.000) 2.793 2.897 ( -0.082 1.091 0.000) 1.094 2.973 ( -1.273 14.344 0.000) 14.400 2.999 ( -2.236 5.253 0.000) 5.709 3.031 ( -2.304 1.625 0.000) 2.819 3.134 ( -1.963 -2.495 0.000) 3.175 3.141 ( 1.040 -2.226 0.000) 2.456 3.164 ( -1.884 -3.283 0.000) 3.785 3.208 ( -4.952 -1.485 0.000) 5.170 3.431 ( -4.892 -1.714 0.000) 5.183 3.481 ( 0.030 12.230 0.000) 12.230 3.501 ( -1.910 3.958 0.000) 4.395 3.628 ( -8.364 3.407 0.000) 9.031 3.745 ( 2.471 0.949 0.000) 2.647 3.880 ( -3.082 -3.777 0.000) 4.875 3.947 ( -0.182 4.367 0.000) 4.371 3.951 ( 1.846 4.481 0.000) 4.847 4.003 ( 0.531 -1.085 0.000) 1.208 4.071 ( 0.373 2.847 0.000) 2.872 4.073 ( -1.908 4.350 0.000) 4.750 4.080 ( 4.545 -0.513 0.000) 4.574 4.175 ( -1.170 7.686 0.000) 7.775 4.274 ( -2.599 4.148 0.000) 4.895 4.305 ( 0.170 9.504 0.000) 9.506 4.335 ( 0.430 3.039 0.000) 3.069 4.488 ( 5.743 -1.435 0.000) 5.920 4.745 ( -4.789 -1.406 0.000) 4.991 4.867 ( 5.008 -3.920 0.000) 6.360 4.961 ( 3.122 -1.119 0.000) 3.316 5.195 ( 4.044 -0.285 0.000) 4.054 5.251 ( 3.589 -5.236 0.000) 6.348 5.322 ( -1.252 -0.180 0.000) 1.265 5.392 ( -1.085 -3.008 0.000) 3.198 5.715 ( 2.952 13.337 0.000) 13.659 5.735 ( 2.178 13.700 0.000) 13.873 5.829 ( 0.244 13.117 0.000) 13.119 5.851 ( -1.581 10.300 0.000) 10.421 5.936 ( 2.336 7.825 0.000) 8.166 5.970 ( 0.765 6.454 0.000) 6.499 6.020 ( 1.725 6.115 0.000) 6.354 6.202 ( -4.123 4.542 0.000) 6.134 6.344 ( 4.020 4.526 0.000) 6.054 6.379 ( 0.326 4.075 0.000) 4.088 6.495 ( -1.728 -2.752 0.000) 3.249 6.528 ( -0.516 5.508 0.000) 5.532 6.867 ( -0.691 8.077 0.000) 8.107 6.891 ( -3.036 0.639 0.000) 3.103 7.005 ( 1.809 -9.062 0.000) 9.241 7.265 ( -9.147 -7.450 0.000) 11.797 7.328 ( 3.666 -9.183 0.000) 9.887 7.453 ( -0.145 -7.779 0.000) 7.780 7.541 ( -4.574 -13.491 0.000) 14.245 7.552 ( -5.900 -12.973 0.000) 14.251 7.770 ( 2.736 -13.092 0.000) 13.375 7.870 ( 5.622 -15.362 0.000) 16.358 7.923 ( -3.903 -9.344 0.000) 10.126 8.044 ( -2.150 -9.928 0.000) 10.158 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -4.370 2.805 0.000) 5.193 0.975 ( 4.370 2.805 0.000) 5.193 1.067 ( -9.599 3.731 0.000) 10.299 1.067 ( 9.599 3.731 0.000) 10.299 1.085 ( -5.611 10.296 0.000) 11.725 1.085 ( 5.611 10.296 0.000) 11.725 1.296 ( -1.525 3.247 0.000) 3.587 1.296 ( 1.525 3.247 0.000) 3.587 1.342 ( -1.443 7.021 0.000) 7.168 1.342 ( 1.443 7.021 0.000) 7.168 1.426 ( -1.219 7.202 0.000) 7.304 1.426 ( 1.219 7.202 0.000) 7.304 1.621 ( -7.209 6.965 0.000) 10.024 1.621 ( 7.209 6.965 0.000) 10.024 1.968 ( -7.693 3.012 0.000) 8.262 1.968 ( 7.693 3.012 0.000) 8.262 2.006 ( -2.836 6.234 0.000) 6.849 2.006 ( 2.836 6.234 0.000) 6.849 2.189 ( -3.150 19.382 0.000) 19.637 2.189 ( 3.150 19.382 0.000) 19.637 2.413 ( -1.892 11.189 0.000) 11.348 2.413 ( 1.892 11.189 0.000) 11.348 2.479 ( -10.707 1.942 0.000) 10.882 2.479 ( 10.707 1.942 0.000) 10.882 2.697 ( -11.200 1.147 0.000) 11.258 2.697 ( 11.200 1.147 0.000) 11.258 2.837 ( -1.331 -1.634 0.000) 2.108 2.837 ( 1.331 -1.634 0.000) 2.108 2.919 ( -2.077 9.650 0.000) 9.871 2.919 ( 2.077 9.650 0.000) 9.871 3.006 ( -0.977 -2.566 0.000) 2.746 3.006 ( 0.977 -2.566 0.000) 2.746 3.102 ( -1.365 -1.244 0.000) 1.847 3.102 ( 1.365 -1.244 0.000) 1.847 3.140 ( -0.009 0.506 0.000) 0.506 3.140 ( 0.009 0.506 0.000) 0.506 3.463 ( -5.375 5.014 0.000) 7.351 3.463 ( 5.375 5.014 0.000) 7.351 3.486 ( -0.783 7.703 0.000) 7.742 3.486 ( 0.783 7.703 0.000) 7.742 3.803 ( -3.473 -1.976 0.000) 3.996 3.803 ( 3.473 -1.976 0.000) 3.996 3.959 ( -0.649 3.108 0.000) 3.175 3.959 ( 0.649 3.108 0.000) 3.175 4.033 ( -1.571 3.081 0.000) 3.459 4.033 ( 1.571 3.081 0.000) 3.459 4.117 ( -3.348 3.771 0.000) 5.043 4.117 ( 3.348 3.771 0.000) 5.043 4.190 ( -4.845 1.879 0.000) 5.196 4.190 ( 4.845 1.879 0.000) 5.196 4.321 ( -1.035 6.160 0.000) 6.247 4.321 ( 1.035 6.160 0.000) 6.247 4.625 ( -6.521 -0.002 0.000) 6.521 4.625 ( 6.521 -0.002 0.000) 6.521 4.958 ( -3.040 -3.885 0.000) 4.933 4.958 ( 3.040 -3.885 0.000) 4.933 5.278 ( -3.232 -0.007 0.000) 3.232 5.278 ( 3.232 -0.007 0.000) 3.232 5.340 ( -4.014 -3.621 0.000) 5.406 5.340 ( 4.014 -3.621 0.000) 5.406 5.766 ( -0.571 15.557 0.000) 15.568 5.766 ( 0.571 15.557 0.000) 15.568 5.820 ( -0.270 10.603 0.000) 10.606 5.820 ( 0.270 10.603 0.000) 10.606 5.977 ( -1.098 6.254 0.000) 6.350 5.977 ( 1.098 6.254 0.000) 6.350 6.094 ( -5.557 7.867 0.000) 9.632 6.094 ( 5.557 7.867 0.000) 9.632 6.392 ( -0.378 5.291 0.000) 5.304 6.392 ( 0.378 5.291 0.000) 5.304 6.493 ( -2.362 -0.264 0.000) 2.377 6.493 ( 2.362 -0.264 0.000) 2.377 6.856 ( -0.176 9.029 0.000) 9.030 6.856 ( 0.176 9.029 0.000) 9.030 7.092 ( -6.764 -12.663 0.000) 14.356 7.092 ( 6.764 -12.663 0.000) 14.356 7.428 ( -5.565 -11.066 0.000) 12.386 7.428 ( 5.565 -11.066 0.000) 12.386 7.467 ( -1.964 -10.841 0.000) 11.018 7.467 ( 1.964 -10.841 0.000) 11.018 7.844 ( -3.985 -9.983 0.000) 10.749 7.844 ( 3.985 -9.983 0.000) 10.749 7.971 ( -4.305 -12.976 0.000) 13.672 7.971 ( 4.305 -12.976 0.000) 13.672 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 0.639 0.000) 0.639 0.895 ( 0.000 -1.755 0.000) 1.755 1.087 ( 0.000 2.395 0.000) 2.395 1.251 ( 0.000 5.448 0.000) 5.448 1.281 ( 0.000 0.664 0.000) 0.664 1.294 ( 0.000 -4.718 0.000) 4.718 1.322 ( 0.000 2.897 0.000) 2.897 1.350 ( 0.000 2.744 0.000) 2.744 1.494 ( 0.000 9.764 0.000) 9.764 1.536 ( 0.000 8.309 0.000) 8.309 1.548 ( 0.000 7.251 0.000) 7.251 1.591 ( 0.000 16.032 0.000) 16.032 1.627 ( 0.000 8.856 0.000) 8.856 1.886 ( 0.000 9.847 0.000) 9.847 1.955 ( 0.000 10.733 0.000) 10.733 2.142 ( 0.000 13.081 0.000) 13.081 2.160 ( 0.000 8.219 0.000) 8.219 2.235 ( 0.000 7.021 0.000) 7.021 2.257 ( 0.000 2.559 0.000) 2.559 2.352 ( 0.000 6.058 0.000) 6.058 2.520 ( 0.000 1.411 0.000) 1.411 2.577 ( 0.000 25.892 0.000) 25.892 2.666 ( 0.000 2.523 0.000) 2.523 2.670 ( 0.000 -4.004 0.000) 4.004 2.732 ( 0.000 6.900 0.000) 6.900 2.804 ( 0.000 -4.487 0.000) 4.487 2.814 ( 0.000 8.684 0.000) 8.684 2.841 ( 0.000 7.153 0.000) 7.153 2.890 ( 0.000 -0.295 0.000) 0.295 3.051 ( 0.000 -4.182 0.000) 4.182 3.068 ( 0.000 -1.147 0.000) 1.147 3.094 ( 0.000 4.135 0.000) 4.135 3.193 ( 0.000 6.873 0.000) 6.873 3.202 ( 0.000 -2.902 0.000) 2.902 3.246 ( 0.000 9.440 0.000) 9.440 3.342 ( 0.000 -2.267 0.000) 2.267 3.486 ( 0.000 -1.600 0.000) 1.600 3.507 ( 0.000 15.415 0.000) 15.415 3.783 ( 0.000 12.250 0.000) 12.250 3.819 ( 0.000 8.234 0.000) 8.234 3.827 ( 0.000 -4.510 0.000) 4.510 3.901 ( 0.000 13.360 0.000) 13.360 3.945 ( 0.000 -2.744 0.000) 2.744 3.965 ( 0.000 -2.199 0.000) 2.199 3.982 ( 0.000 1.494 0.000) 1.494 4.083 ( 0.000 4.074 0.000) 4.074 4.173 ( 0.000 4.874 0.000) 4.874 4.177 ( 0.000 1.539 0.000) 1.539 4.334 ( 0.000 7.491 0.000) 7.491 4.352 ( 0.000 1.130 0.000) 1.130 4.353 ( 0.000 4.402 0.000) 4.402 4.407 ( 0.000 -0.806 0.000) 0.806 4.497 ( 0.000 6.300 0.000) 6.300 4.718 ( 0.000 -4.989 0.000) 4.989 4.787 ( 0.000 1.164 0.000) 1.164 4.926 ( 0.000 1.412 0.000) 1.412 5.075 ( 0.000 -7.132 0.000) 7.132 5.155 ( 0.000 0.407 0.000) 0.407 5.320 ( 0.000 -0.978 0.000) 0.978 5.346 ( 0.000 -2.736 0.000) 2.736 5.826 ( 0.000 0.863 0.000) 0.863 5.847 ( 0.000 4.152 0.000) 4.152 5.935 ( 0.000 0.015 0.000) 0.015 6.005 ( 0.000 2.517 0.000) 2.517 6.036 ( 0.000 -1.280 0.000) 1.280 6.051 ( 0.000 4.286 0.000) 4.286 6.104 ( 0.000 4.909 0.000) 4.909 6.186 ( 0.000 -4.827 0.000) 4.827 6.417 ( 0.000 2.163 0.000) 2.163 6.445 ( 0.000 5.230 0.000) 5.230 6.458 ( 0.000 -4.866 0.000) 4.866 6.657 ( 0.000 -16.292 0.000) 16.292 6.680 ( 0.000 3.622 0.000) 3.622 6.706 ( 0.000 -11.231 0.000) 11.231 6.943 ( 0.000 -12.725 0.000) 12.725 7.246 ( 0.000 6.104 0.000) 6.104 7.292 ( 0.000 -12.325 0.000) 12.325 7.312 ( 0.000 -4.523 0.000) 4.523 7.341 ( 0.000 -14.061 0.000) 14.061 7.346 ( 0.000 -4.372 0.000) 4.372 7.570 ( 0.000 -1.718 0.000) 1.718 7.620 ( 0.000 0.798 0.000) 0.798 7.814 ( 0.000 -6.153 0.000) 6.153 7.936 ( 0.000 -3.781 0.000) 3.781 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 6.520 -0.965 0.000) 6.591 0.943 ( 4.712 0.306 0.000) 4.722 1.081 ( -1.506 0.562 0.000) 1.607 1.220 ( -0.680 7.024 0.000) 7.057 1.233 ( -4.851 -1.907 0.000) 5.212 1.295 ( -2.031 3.885 0.000) 4.384 1.317 ( 0.992 -0.598 0.000) 1.158 1.345 ( -0.653 2.813 0.000) 2.888 1.466 ( -0.807 8.349 0.000) 8.388 1.521 ( -2.055 6.486 0.000) 6.804 1.577 ( 2.261 8.769 0.000) 9.056 1.587 ( 0.484 11.511 0.000) 11.522 1.698 ( 4.963 11.170 0.000) 12.223 1.926 ( -4.436 10.470 0.000) 11.371 1.937 ( 4.537 8.969 0.000) 10.051 2.151 ( 1.083 13.005 0.000) 13.051 2.159 ( 1.070 8.723 0.000) 8.788 2.201 ( -4.044 6.711 0.000) 7.835 2.294 ( 3.897 0.995 0.000) 4.022 2.379 ( 2.424 6.245 0.000) 6.699 2.523 ( 2.886 1.542 0.000) 3.272 2.588 ( -5.620 -1.279 0.000) 5.764 2.612 ( -2.505 14.994 0.000) 15.201 2.661 ( 3.816 13.578 0.000) 14.104 2.781 ( -2.153 1.886 0.000) 2.862 2.783 ( 1.560 0.032 0.000) 1.560 2.801 ( -0.167 -2.585 0.000) 2.590 2.840 ( -0.214 11.382 0.000) 11.384 2.899 ( 0.851 -0.357 0.000) 0.923 3.024 ( -1.999 -1.105 0.000) 2.284 3.046 ( -4.317 1.179 0.000) 4.475 3.091 ( -0.822 -2.554 0.000) 2.683 3.117 ( -5.180 0.817 0.000) 5.244 3.181 ( -0.266 7.341 0.000) 7.346 3.249 ( -0.472 7.317 0.000) 7.332 3.328 ( -2.749 6.443 0.000) 7.005 3.440 ( 3.997 1.783 0.000) 4.376 3.599 ( 2.802 11.176 0.000) 11.522 3.698 ( -5.897 2.830 0.000) 6.541 3.750 ( -5.106 8.845 0.000) 10.213 3.849 ( 1.041 5.035 0.000) 5.142 3.903 ( -1.185 11.329 0.000) 11.390 3.954 ( 0.091 -2.622 0.000) 2.624 3.974 ( 0.424 -0.857 0.000) 0.956 4.044 ( 5.542 5.011 0.000) 7.472 4.094 ( 2.426 2.599 0.000) 3.555 4.122 ( -1.201 2.225 0.000) 2.529 4.151 ( -2.226 2.491 0.000) 3.340 4.323 ( -3.658 1.641 0.000) 4.009 4.331 ( -0.734 7.230 0.000) 7.267 4.384 ( 0.868 0.333 0.000) 0.930 4.468 ( -2.875 6.027 0.000) 6.678 4.503 ( 8.692 3.608 0.000) 9.411 4.748 ( -3.464 1.917 0.000) 3.959 4.771 ( 4.168 -5.653 0.000) 7.023 4.914 ( -1.424 -4.000 0.000) 4.246 5.152 ( 6.185 -3.455 0.000) 7.084 5.199 ( 3.662 -0.607 0.000) 3.712 5.309 ( -1.082 -1.054 0.000) 1.511 5.333 ( -1.411 -2.933 0.000) 3.255 5.861 ( 3.101 0.780 0.000) 3.198 5.882 ( 2.792 3.405 0.000) 4.403 5.965 ( 2.185 0.236 0.000) 2.198 6.003 ( -0.455 4.336 0.000) 4.360 6.040 ( 0.242 -0.179 0.000) 0.301 6.054 ( 0.074 2.480 0.000) 2.482 6.121 ( 1.750 4.042 0.000) 4.405 6.193 ( 0.298 -4.569 0.000) 4.579 6.397 ( -1.354 0.005 0.000) 1.354 6.424 ( -1.649 -3.312 0.000) 3.700 6.476 ( 1.905 3.743 0.000) 4.199 6.615 ( -2.810 -5.020 0.000) 5.753 6.723 ( 1.601 -11.688 0.000) 11.797 6.731 ( 3.339 -7.233 0.000) 7.967 6.923 ( -1.470 -10.131 0.000) 10.237 7.140 ( -9.238 -7.578 0.000) 11.949 7.189 ( -2.792 -0.313 0.000) 2.810 7.278 ( -3.793 -10.929 0.000) 11.569 7.356 ( 1.286 -8.725 0.000) 8.819 7.421 ( 2.142 3.354 0.000) 3.980 7.584 ( 0.646 -1.753 0.000) 1.868 7.670 ( -7.923 -10.503 0.000) 13.157 7.715 ( 7.864 -0.221 0.000) 7.867 7.967 ( -0.912 -1.908 0.000) 2.115 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -4.934 -0.643 0.000) 4.975 1.009 ( 4.934 -0.643 0.000) 4.975 1.090 ( -8.167 0.171 0.000) 8.169 1.090 ( 8.167 0.171 0.000) 8.169 1.250 ( -2.284 5.933 0.000) 6.357 1.250 ( 2.284 5.933 0.000) 6.357 1.328 ( -0.643 1.256 0.000) 1.411 1.328 ( 0.643 1.256 0.000) 1.411 1.478 ( -1.710 6.994 0.000) 7.200 1.478 ( 1.710 6.994 0.000) 7.200 1.603 ( -0.126 8.819 0.000) 8.820 1.603 ( 0.126 8.819 0.000) 8.820 1.804 ( -5.764 11.108 0.000) 12.515 1.804 ( 5.764 11.108 0.000) 12.515 2.061 ( -7.041 7.058 0.000) 9.970 2.061 ( 7.041 7.058 0.000) 9.970 2.182 ( -1.149 11.261 0.000) 11.319 2.182 ( 1.149 11.261 0.000) 11.319 2.410 ( -5.780 0.791 0.000) 5.834 2.410 ( 5.780 0.791 0.000) 5.834 2.494 ( -5.256 3.992 0.000) 6.600 2.494 ( 5.256 3.992 0.000) 6.600 2.679 ( -7.909 2.531 0.000) 8.304 2.679 ( 7.909 2.531 0.000) 8.304 2.775 ( -3.542 8.140 0.000) 8.878 2.775 ( 3.542 8.140 0.000) 8.878 2.815 ( -1.368 6.457 0.000) 6.601 2.815 ( 1.368 6.457 0.000) 6.601 2.928 ( -3.761 -3.313 0.000) 5.012 2.928 ( 3.761 -3.313 0.000) 5.012 3.004 ( -0.984 2.719 0.000) 2.891 3.004 ( 0.984 2.719 0.000) 2.891 3.162 ( -2.660 1.318 0.000) 2.968 3.162 ( 2.660 1.318 0.000) 2.968 3.262 ( -2.820 10.265 0.000) 10.645 3.262 ( 2.820 10.265 0.000) 10.645 3.568 ( -6.724 2.429 0.000) 7.149 3.568 ( 6.724 2.429 0.000) 7.149 3.654 ( -3.555 9.873 0.000) 10.494 3.654 ( 3.555 9.873 0.000) 10.494 3.872 ( -1.305 8.430 0.000) 8.531 3.872 ( 1.305 8.430 0.000) 8.531 3.966 ( -0.650 -0.019 0.000) 0.650 3.966 ( 0.650 -0.019 0.000) 0.650 4.107 ( -1.693 3.061 0.000) 3.498 4.107 ( 1.693 3.061 0.000) 3.498 4.153 ( -0.833 1.152 0.000) 1.422 4.153 ( 0.833 1.152 0.000) 1.422 4.280 ( -2.394 6.169 0.000) 6.617 4.280 ( 2.394 6.169 0.000) 6.617 4.414 ( -1.848 2.375 0.000) 3.009 4.414 ( 1.848 2.375 0.000) 3.009 4.654 ( -5.726 3.213 0.000) 6.566 4.654 ( 5.726 3.213 0.000) 6.566 4.859 ( -3.876 -6.129 0.000) 7.252 4.859 ( 3.876 -6.129 0.000) 7.252 5.267 ( -3.636 -1.583 0.000) 3.966 5.267 ( 3.636 -1.583 0.000) 3.966 5.277 ( -3.834 -2.523 0.000) 4.590 5.277 ( 3.834 -2.523 0.000) 4.590 5.917 ( -0.730 0.682 0.000) 1.000 5.917 ( 0.730 0.682 0.000) 1.000 5.990 ( -0.409 5.133 0.000) 5.149 5.990 ( 0.409 5.133 0.000) 5.149 6.047 ( -0.606 0.503 0.000) 0.788 6.047 ( 0.606 0.503 0.000) 0.788 6.171 ( -2.467 -0.383 0.000) 2.497 6.171 ( 2.467 -0.383 0.000) 2.497 6.391 ( -1.063 -3.800 0.000) 3.946 6.391 ( 1.063 -3.800 0.000) 3.946 6.542 ( -4.013 1.580 0.000) 4.313 6.542 ( 4.013 1.580 0.000) 4.313 6.762 ( -1.391 -12.690 0.000) 12.766 6.762 ( 1.391 -12.690 0.000) 12.766 6.960 ( -6.704 -5.468 0.000) 8.651 6.960 ( 6.704 -5.468 0.000) 8.651 7.193 ( -3.146 -7.112 0.000) 7.777 7.193 ( 3.146 -7.112 0.000) 7.777 7.400 ( -2.801 1.452 0.000) 3.155 7.400 ( 2.801 1.452 0.000) 3.155 7.592 ( -0.632 -10.057 0.000) 10.077 7.592 ( 0.632 -10.057 0.000) 10.077 7.879 ( -6.976 0.180 0.000) 6.978 7.879 ( 6.976 0.180 0.000) 6.978 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -1.855 0.000) 1.855 0.850 ( 0.000 -2.683 0.000) 2.683 1.087 ( 0.000 -1.075 0.000) 1.075 1.204 ( 0.000 -4.205 0.000) 4.205 1.287 ( 0.000 -0.093 0.000) 0.093 1.347 ( 0.000 3.396 0.000) 3.396 1.364 ( 0.000 1.311 0.000) 1.311 1.395 ( 0.000 1.612 0.000) 1.612 1.650 ( 0.000 3.521 0.000) 3.521 1.672 ( 0.000 8.159 0.000) 8.159 1.706 ( 0.000 8.409 0.000) 8.409 1.770 ( 0.000 5.632 0.000) 5.632 1.927 ( 0.000 16.999 0.000) 16.999 2.099 ( 0.000 11.191 0.000) 11.191 2.195 ( 0.000 13.284 0.000) 13.284 2.298 ( 0.000 4.219 0.000) 4.219 2.352 ( 0.000 9.778 0.000) 9.778 2.367 ( 0.000 6.423 0.000) 6.423 2.446 ( 0.000 14.625 0.000) 14.625 2.456 ( 0.000 4.807 0.000) 4.807 2.564 ( 0.000 0.221 0.000) 0.221 2.611 ( 0.000 1.680 0.000) 1.680 2.619 ( 0.000 -2.718 0.000) 2.718 2.704 ( 0.000 -5.347 0.000) 5.347 2.736 ( 0.000 -1.529 0.000) 1.529 2.892 ( 0.000 0.493 0.000) 0.493 2.896 ( 0.000 2.964 0.000) 2.964 2.921 ( 0.000 -0.804 0.000) 0.804 2.953 ( 0.000 0.342 0.000) 0.342 3.096 ( 0.000 -1.651 0.000) 1.651 3.145 ( 0.000 0.763 0.000) 0.763 3.153 ( 0.000 11.196 0.000) 11.196 3.201 ( 0.000 -7.675 0.000) 7.675 3.246 ( 0.000 16.090 0.000) 16.090 3.368 ( 0.000 9.915 0.000) 9.915 3.385 ( 0.000 4.012 0.000) 4.012 3.495 ( 0.000 1.849 0.000) 1.849 3.716 ( 0.000 -7.007 0.000) 7.007 3.809 ( 0.000 8.266 0.000) 8.266 3.854 ( 0.000 -6.656 0.000) 6.656 3.855 ( 0.000 -0.002 0.000) 0.002 3.893 ( 0.000 -3.968 0.000) 3.968 4.033 ( 0.000 2.835 0.000) 2.835 4.091 ( 0.000 11.740 0.000) 11.740 4.149 ( 0.000 12.643 0.000) 12.643 4.156 ( 0.000 3.045 0.000) 3.045 4.189 ( 0.000 0.554 0.000) 0.554 4.258 ( 0.000 0.064 0.000) 0.064 4.397 ( 0.000 2.046 0.000) 2.046 4.430 ( 0.000 8.161 0.000) 8.161 4.444 ( 0.000 3.070 0.000) 3.070 4.450 ( 0.000 5.198 0.000) 5.198 4.500 ( 0.000 -6.548 0.000) 6.548 4.624 ( 0.000 -3.301 0.000) 3.301 4.841 ( 0.000 3.902 0.000) 3.902 4.937 ( 0.000 -0.570 0.000) 0.570 4.984 ( 0.000 -0.879 0.000) 0.879 5.154 ( 0.000 -0.543 0.000) 0.543 5.288 ( 0.000 -3.327 0.000) 3.327 5.292 ( 0.000 -1.981 0.000) 1.981 5.817 ( 0.000 -0.866 0.000) 0.866 5.877 ( 0.000 -3.774 0.000) 3.774 5.885 ( 0.000 0.836 0.000) 0.836 5.959 ( 0.000 -4.982 0.000) 4.982 5.998 ( 0.000 -2.692 0.000) 2.692 6.015 ( 0.000 -6.748 0.000) 6.748 6.082 ( 0.000 -5.311 0.000) 5.311 6.117 ( 0.000 -3.600 0.000) 3.600 6.313 ( 0.000 -8.267 0.000) 8.267 6.401 ( 0.000 -6.998 0.000) 6.998 6.430 ( 0.000 -2.215 0.000) 2.215 6.442 ( 0.000 -4.826 0.000) 4.826 6.597 ( 0.000 -2.147 0.000) 2.147 6.624 ( 0.000 -15.450 0.000) 15.450 6.646 ( 0.000 -5.732 0.000) 5.732 7.031 ( 0.000 -12.275 0.000) 12.275 7.200 ( 0.000 0.740 0.000) 0.740 7.243 ( 0.000 -1.260 0.000) 1.260 7.351 ( 0.000 1.838 0.000) 1.838 7.382 ( 0.000 5.951 0.000) 5.951 7.629 ( 0.000 5.518 0.000) 5.518 7.701 ( 0.000 5.123 0.000) 5.123 7.773 ( 0.000 0.201 0.000) 0.201 7.851 ( 0.000 -4.513 0.000) 4.513 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 4.796 -3.023 0.000) 5.669 0.934 ( 7.066 -1.217 0.000) 7.171 1.055 ( -3.099 -2.255 0.000) 3.833 1.190 ( -2.355 -2.243 0.000) 3.252 1.300 ( 1.804 -0.259 0.000) 1.822 1.328 ( -1.337 2.844 0.000) 3.143 1.345 ( -1.564 1.240 0.000) 1.996 1.391 ( -0.741 1.470 0.000) 1.646 1.635 ( -0.962 5.050 0.000) 5.140 1.637 ( -1.550 8.579 0.000) 8.718 1.739 ( 1.505 7.404 0.000) 7.555 1.769 ( -0.384 6.568 0.000) 6.579 1.953 ( 2.732 14.146 0.000) 14.407 2.135 ( 3.370 10.461 0.000) 10.990 2.152 ( -4.997 11.879 0.000) 12.887 2.322 ( 2.380 3.093 0.000) 3.903 2.331 ( -3.107 8.038 0.000) 8.617 2.372 ( 2.697 9.764 0.000) 10.129 2.439 ( -0.271 14.705 0.000) 14.707 2.488 ( 1.978 5.009 0.000) 5.385 2.524 ( -4.131 -1.668 0.000) 4.455 2.595 ( 1.376 4.405 0.000) 4.614 2.642 ( 0.889 -1.902 0.000) 2.100 2.714 ( -0.545 -2.848 0.000) 2.899 2.739 ( 0.173 -3.066 0.000) 3.071 2.786 ( -5.517 -0.650 0.000) 5.555 2.879 ( -1.101 -0.212 0.000) 1.121 2.937 ( 1.362 0.307 0.000) 1.396 2.981 ( -6.856 -0.818 0.000) 6.905 3.007 ( 3.684 -0.736 0.000) 3.757 3.087 ( -4.248 0.836 0.000) 4.329 3.193 ( 2.455 10.642 0.000) 10.922 3.258 ( -0.726 15.809 0.000) 15.826 3.301 ( 5.071 -4.827 0.000) 7.001 3.314 ( -5.458 6.328 0.000) 8.357 3.384 ( 0.837 6.281 0.000) 6.336 3.528 ( 4.584 4.616 0.000) 6.505 3.639 ( -4.760 -5.670 0.000) 7.403 3.836 ( -0.925 -3.741 0.000) 3.854 3.845 ( 0.653 3.699 0.000) 3.757 3.879 ( -1.107 1.576 0.000) 1.926 3.899 ( 1.503 1.656 0.000) 2.236 4.093 ( 1.166 7.577 0.000) 7.666 4.096 ( 5.859 2.181 0.000) 6.252 4.148 ( -0.240 9.098 0.000) 9.101 4.169 ( -0.238 3.137 0.000) 3.146 4.180 ( 0.107 4.076 0.000) 4.077 4.215 ( -3.028 5.861 0.000) 6.597 4.359 ( -0.093 -1.937 0.000) 1.939 4.368 ( -1.633 4.455 0.000) 4.745 4.438 ( -0.523 3.106 0.000) 3.150 4.493 ( -2.451 -4.733 0.000) 5.330 4.610 ( 8.114 6.099 0.000) 10.151 4.668 ( 3.361 -2.826 0.000) 4.391 4.815 ( -2.316 3.670 0.000) 4.340 4.835 ( -5.004 -1.281 0.000) 5.165 5.103 ( 6.386 -1.731 0.000) 6.617 5.177 ( 2.322 -1.575 0.000) 2.806 5.267 ( -1.886 -3.711 0.000) 4.162 5.283 ( -1.134 -1.952 0.000) 2.258 5.844 ( 2.276 -1.662 0.000) 2.818 5.889 ( 0.789 -2.864 0.000) 2.971 5.912 ( 2.296 -2.137 0.000) 3.137 5.974 ( 1.545 -4.826 0.000) 5.067 6.001 ( -1.164 -6.111 0.000) 6.220 6.028 ( 2.007 -1.991 0.000) 2.827 6.072 ( -0.749 -6.477 0.000) 6.520 6.120 ( -0.026 -4.011 0.000) 4.011 6.305 ( -0.623 -7.307 0.000) 7.334 6.359 ( -4.041 -3.949 0.000) 5.651 6.417 ( 1.580 -7.489 0.000) 7.653 6.476 ( 0.823 -3.756 0.000) 3.845 6.595 ( -0.262 -3.276 0.000) 3.286 6.597 ( -1.520 -12.056 0.000) 12.152 6.692 ( 3.810 -7.604 0.000) 8.505 6.959 ( -6.678 -10.082 0.000) 12.093 7.175 ( -2.551 0.230 0.000) 2.562 7.211 ( -0.196 1.195 0.000) 1.211 7.312 ( -2.535 4.450 0.000) 5.122 7.442 ( 3.708 -2.084 0.000) 4.253 7.613 ( -8.075 3.409 0.000) 8.765 7.652 ( -1.029 5.649 0.000) 5.741 7.766 ( 6.687 3.477 0.000) 7.537 7.926 ( 1.666 -2.381 0.000) 2.907 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.931 -3.198 0.000) 6.738 0.959 ( 5.931 -3.198 0.000) 6.738 1.091 ( -7.030 -0.604 0.000) 7.056 1.091 ( 7.030 -0.604 0.000) 7.056 1.315 ( -0.793 0.842 0.000) 1.156 1.315 ( 0.793 0.842 0.000) 1.156 1.355 ( -2.558 1.367 0.000) 2.901 1.355 ( 2.558 1.367 0.000) 2.901 1.623 ( -0.088 7.502 0.000) 7.502 1.623 ( 0.088 7.502 0.000) 7.502 1.758 ( -0.544 6.812 0.000) 6.833 1.758 ( 0.544 6.812 0.000) 6.833 2.035 ( -5.180 11.722 0.000) 12.815 2.035 ( 5.180 11.722 0.000) 12.815 2.230 ( -5.480 9.400 0.000) 10.881 2.230 ( 5.480 9.400 0.000) 10.881 2.402 ( -5.451 0.079 0.000) 5.451 2.402 ( 5.451 0.079 0.000) 5.451 2.436 ( -0.951 13.443 0.000) 13.476 2.436 ( 0.951 13.443 0.000) 13.476 2.558 ( -5.876 2.939 0.000) 6.570 2.558 ( 5.876 2.939 0.000) 6.570 2.683 ( -2.941 -0.127 0.000) 2.943 2.683 ( 2.941 -0.127 0.000) 2.943 2.754 ( -2.313 -2.284 0.000) 3.251 2.754 ( 2.313 -2.284 0.000) 3.251 2.858 ( -0.629 -2.557 0.000) 2.633 2.858 ( 0.629 -2.557 0.000) 2.633 2.987 ( -3.732 2.520 0.000) 4.504 2.987 ( 3.732 2.520 0.000) 4.504 3.151 ( -7.411 -1.947 0.000) 7.662 3.151 ( 7.411 -1.947 0.000) 7.662 3.239 ( -0.443 15.771 0.000) 15.777 3.239 ( 0.443 15.771 0.000) 15.777 3.387 ( -2.353 1.254 0.000) 2.667 3.387 ( 2.353 1.254 0.000) 2.667 3.581 ( -0.593 2.046 0.000) 2.130 3.581 ( 0.593 2.046 0.000) 2.130 3.836 ( -0.731 -1.039 0.000) 1.270 3.836 ( 0.731 -1.039 0.000) 1.270 3.887 ( -1.865 4.498 0.000) 4.869 3.887 ( 1.865 4.498 0.000) 4.869 4.132 ( -1.489 2.235 0.000) 2.685 4.132 ( 1.489 2.235 0.000) 2.685 4.158 ( -0.297 9.500 0.000) 9.505 4.158 ( 0.297 9.500 0.000) 9.505 4.190 ( -0.001 3.343 0.000) 3.343 4.190 ( 0.001 3.343 0.000) 3.343 4.393 ( -5.158 2.079 0.000) 5.561 4.393 ( 5.158 2.079 0.000) 5.561 4.407 ( -2.806 -0.831 0.000) 2.926 4.407 ( 2.806 -0.831 0.000) 2.926 4.741 ( -4.132 -4.081 0.000) 5.808 4.741 ( 4.132 -4.081 0.000) 5.808 4.749 ( -4.669 5.789 0.000) 7.437 4.749 ( 4.669 5.789 0.000) 7.437 5.209 ( -3.818 -3.745 0.000) 5.348 5.209 ( 3.818 -3.745 0.000) 5.348 5.240 ( -3.077 -1.893 0.000) 3.612 5.240 ( 3.077 -1.893 0.000) 3.612 5.887 ( -1.278 -3.081 0.000) 3.336 5.887 ( 1.278 -3.081 0.000) 3.336 5.964 ( -2.364 -4.916 0.000) 5.455 5.964 ( 2.364 -4.916 0.000) 5.455 6.019 ( -2.299 -3.538 0.000) 4.219 6.019 ( 2.299 -3.538 0.000) 4.219 6.098 ( -2.251 -5.047 0.000) 5.526 6.098 ( 2.251 -5.047 0.000) 5.526 6.302 ( -0.950 -5.302 0.000) 5.386 6.302 ( 0.950 -5.302 0.000) 5.386 6.460 ( -2.154 -6.944 0.000) 7.271 6.460 ( 2.154 -6.944 0.000) 7.271 6.585 ( -0.415 -6.922 0.000) 6.934 6.585 ( 0.415 -6.922 0.000) 6.934 6.805 ( -7.093 -7.685 0.000) 10.458 6.805 ( 7.093 -7.685 0.000) 10.458 7.168 ( -1.756 2.765 0.000) 3.275 7.168 ( 1.756 2.765 0.000) 3.275 7.371 ( -6.401 -2.170 0.000) 6.759 7.371 ( 6.401 -2.170 0.000) 6.759 7.601 ( -3.373 6.401 0.000) 7.236 7.601 ( 3.373 6.401 0.000) 7.236 7.893 ( -4.503 0.471 0.000) 4.527 7.893 ( 4.503 0.471 0.000) 4.527 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 -1.558 0.000) 1.558 0.794 ( 0.000 -2.816 0.000) 2.816 1.064 ( 0.000 -0.975 0.000) 0.975 1.129 ( 0.000 -3.261 0.000) 3.261 1.285 ( 0.000 0.216 0.000) 0.216 1.378 ( 0.000 0.256 0.000) 0.256 1.379 ( 0.000 -0.182 0.000) 0.182 1.410 ( 0.000 -0.102 0.000) 0.102 1.712 ( 0.000 3.263 0.000) 3.263 1.816 ( 0.000 6.178 0.000) 6.178 1.846 ( 0.000 1.912 0.000) 1.912 1.853 ( 0.000 5.939 0.000) 5.939 2.247 ( 0.000 14.799 0.000) 14.799 2.315 ( 0.000 10.184 0.000) 10.184 2.388 ( 0.000 5.212 0.000) 5.212 2.473 ( 0.000 3.107 0.000) 3.107 2.475 ( 0.000 10.766 0.000) 10.766 2.487 ( 0.000 4.486 0.000) 4.486 2.542 ( 0.000 3.756 0.000) 3.756 2.546 ( 0.000 4.261 0.000) 4.261 2.581 ( 0.000 -0.959 0.000) 0.959 2.605 ( 0.000 -4.233 0.000) 4.233 2.729 ( 0.000 12.140 0.000) 12.140 2.732 ( 0.000 2.642 0.000) 2.642 2.765 ( 0.000 10.863 0.000) 10.863 2.823 ( 0.000 -6.881 0.000) 6.881 2.911 ( 0.000 1.417 0.000) 1.417 2.926 ( 0.000 1.206 0.000) 1.206 2.944 ( 0.000 -1.186 0.000) 1.186 3.000 ( 0.000 -6.830 0.000) 6.830 3.050 ( 0.000 -6.332 0.000) 6.332 3.152 ( 0.000 0.089 0.000) 0.089 3.329 ( 0.000 5.893 0.000) 5.893 3.387 ( 0.000 -4.226 0.000) 4.226 3.497 ( 0.000 -6.457 0.000) 6.457 3.517 ( 0.000 0.958 0.000) 0.958 3.603 ( 0.000 14.928 0.000) 14.928 3.611 ( 0.000 2.570 0.000) 2.570 3.683 ( 0.000 -6.945 0.000) 6.945 3.788 ( 0.000 -6.128 0.000) 6.128 3.812 ( 0.000 -4.272 0.000) 4.272 3.840 ( 0.000 -2.329 0.000) 2.329 4.081 ( 0.000 2.258 0.000) 2.258 4.163 ( 0.000 -6.750 0.000) 6.750 4.181 ( 0.000 -0.744 0.000) 0.744 4.192 ( 0.000 0.522 0.000) 0.522 4.265 ( 0.000 4.384 0.000) 4.384 4.317 ( 0.000 -8.825 0.000) 8.825 4.389 ( 0.000 -2.046 0.000) 2.046 4.432 ( 0.000 12.526 0.000) 12.526 4.452 ( 0.000 -1.549 0.000) 1.549 4.552 ( 0.000 5.202 0.000) 5.202 4.647 ( 0.000 6.030 0.000) 6.030 4.684 ( 0.000 13.652 0.000) 13.652 4.928 ( 0.000 0.527 0.000) 0.527 4.934 ( 0.000 5.340 0.000) 5.340 5.002 ( 0.000 1.148 0.000) 1.148 5.138 ( 0.000 -0.960 0.000) 0.960 5.199 ( 0.000 -5.904 0.000) 5.904 5.233 ( 0.000 -4.208 0.000) 4.208 5.814 ( 0.000 0.588 0.000) 0.588 5.851 ( 0.000 1.100 0.000) 1.100 5.872 ( 0.000 -5.760 0.000) 5.760 5.874 ( 0.000 -2.894 0.000) 2.894 5.911 ( 0.000 1.689 0.000) 1.689 5.913 ( 0.000 -5.573 0.000) 5.573 5.977 ( 0.000 -4.692 0.000) 4.692 6.014 ( 0.000 -5.505 0.000) 5.505 6.191 ( 0.000 -3.697 0.000) 3.697 6.263 ( 0.000 -6.319 0.000) 6.319 6.341 ( 0.000 -5.530 0.000) 5.530 6.354 ( 0.000 -6.992 0.000) 6.992 6.430 ( 0.000 -2.449 0.000) 2.449 6.527 ( 0.000 -5.199 0.000) 5.199 6.552 ( 0.000 -1.744 0.000) 1.744 6.815 ( 0.000 -9.643 0.000) 9.643 7.248 ( 0.000 0.954 0.000) 0.954 7.297 ( 0.000 6.730 0.000) 6.730 7.364 ( 0.000 -1.011 0.000) 1.011 7.467 ( 0.000 2.506 0.000) 2.506 7.732 ( 0.000 4.366 0.000) 4.366 7.776 ( 0.000 -2.640 0.000) 2.640 7.776 ( 0.000 -0.245 0.000) 0.245 7.783 ( 0.000 2.894 0.000) 2.894 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 4.550 -1.419 0.000) 4.766 0.895 ( 7.762 -2.687 0.000) 8.214 1.019 ( -3.771 -0.988 0.000) 3.898 1.138 ( -0.854 -3.044 0.000) 3.162 1.291 ( 0.885 -0.268 0.000) 0.925 1.355 ( -1.948 0.070 0.000) 1.949 1.356 ( -1.434 -0.124 0.000) 1.439 1.400 ( -1.150 -0.517 0.000) 1.261 1.728 ( 1.493 4.581 0.000) 4.818 1.796 ( -1.311 7.093 0.000) 7.213 1.859 ( 0.964 2.609 0.000) 2.781 1.864 ( 0.476 4.924 0.000) 4.947 2.229 ( -0.673 13.055 0.000) 13.072 2.322 ( 1.420 7.415 0.000) 7.550 2.383 ( -6.675 9.977 0.000) 12.004 2.416 ( 1.611 7.241 0.000) 7.419 2.460 ( -1.287 3.469 0.000) 3.700 2.502 ( -3.116 2.015 0.000) 3.710 2.544 ( 3.459 7.786 0.000) 8.519 2.581 ( 2.650 3.538 0.000) 4.420 2.598 ( 1.263 -2.506 0.000) 2.806 2.671 ( 5.068 -1.203 0.000) 5.209 2.678 ( -2.835 -0.679 0.000) 2.916 2.715 ( -1.658 9.313 0.000) 9.459 2.747 ( -4.129 -1.596 0.000) 4.427 2.774 ( 0.340 11.426 0.000) 11.431 2.893 ( -1.747 1.875 0.000) 2.563 2.906 ( -4.831 -2.706 0.000) 5.537 2.950 ( 2.028 0.827 0.000) 2.190 2.969 ( 1.583 -2.813 0.000) 3.228 3.063 ( -1.694 -3.833 0.000) 4.190 3.190 ( 3.466 -4.550 0.000) 5.720 3.234 ( -7.510 -4.101 0.000) 8.557 3.405 ( -6.802 -7.129 0.000) 9.853 3.478 ( 6.182 6.986 0.000) 9.328 3.549 ( 0.766 2.944 0.000) 3.042 3.596 ( -0.340 0.281 0.000) 0.441 3.605 ( 2.326 10.144 0.000) 10.407 3.683 ( 1.587 -4.890 0.000) 5.140 3.780 ( -1.926 -3.371 0.000) 3.882 3.908 ( 6.794 -2.431 0.000) 7.216 3.943 ( 5.176 -0.416 0.000) 5.193 4.092 ( 2.286 -0.796 0.000) 2.420 4.127 ( -1.956 -0.074 0.000) 1.957 4.199 ( 2.301 -4.653 0.000) 5.190 4.226 ( 0.779 2.106 0.000) 2.245 4.282 ( 0.006 -1.250 0.000) 1.250 4.328 ( -5.064 1.155 0.000) 5.194 4.344 ( 2.708 -4.330 0.000) 5.107 4.372 ( -3.032 8.145 0.000) 8.691 4.454 ( 0.020 -0.885 0.000) 0.885 4.516 ( -2.266 7.392 0.000) 7.732 4.668 ( 2.719 5.267 0.000) 5.927 4.784 ( 5.757 9.282 0.000) 10.922 4.842 ( -5.425 2.683 0.000) 6.052 4.920 ( -1.377 5.523 0.000) 5.692 5.073 ( 3.755 -1.669 0.000) 4.109 5.146 ( 1.180 -1.551 0.000) 1.949 5.171 ( -2.238 -5.860 0.000) 6.273 5.231 ( -0.690 -3.818 0.000) 3.880 5.821 ( 0.549 -0.198 0.000) 0.584 5.840 ( -0.588 -1.220 0.000) 1.354 5.873 ( 0.276 -5.106 0.000) 5.113 5.893 ( 0.717 -0.873 0.000) 1.129 5.909 ( 0.379 -0.328 0.000) 0.501 5.933 ( 1.304 -5.714 0.000) 5.861 5.981 ( 0.560 -3.893 0.000) 3.933 6.015 ( 0.030 -5.572 0.000) 5.572 6.186 ( -0.317 -3.984 0.000) 3.996 6.263 ( -4.137 -4.919 0.000) 6.427 6.275 ( 1.249 -6.442 0.000) 6.562 6.372 ( -2.015 -8.464 0.000) 8.701 6.441 ( 2.403 -1.268 0.000) 2.717 6.537 ( -1.441 -1.915 0.000) 2.397 6.572 ( 3.719 -4.992 0.000) 6.225 6.772 ( -4.022 -8.505 0.000) 9.408 7.213 ( -0.936 2.444 0.000) 2.617 7.286 ( -1.013 5.121 0.000) 5.220 7.388 ( -0.276 -3.135 0.000) 3.147 7.394 ( -4.831 2.880 0.000) 5.624 7.692 ( -1.091 3.728 0.000) 3.884 7.755 ( -0.497 4.238 0.000) 4.267 7.819 ( 4.082 1.649 0.000) 4.402 7.874 ( 3.027 -2.790 0.000) 4.117 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -6.222 -1.000 0.000) 6.302 0.913 ( 6.222 -1.000 0.000) 6.302 1.057 ( -6.826 -2.790 0.000) 7.374 1.057 ( 6.826 -2.790 0.000) 7.374 1.315 ( -1.486 -0.309 0.000) 1.518 1.315 ( 1.486 -0.309 0.000) 1.518 1.363 ( -1.958 -0.632 0.000) 2.057 1.363 ( 1.958 -0.632 0.000) 2.057 1.765 ( -1.774 6.556 0.000) 6.792 1.765 ( 1.774 6.556 0.000) 6.792 1.869 ( -0.059 4.179 0.000) 4.180 1.869 ( 0.059 4.179 0.000) 4.180 2.258 ( -4.104 10.574 0.000) 11.343 2.258 ( 4.104 10.574 0.000) 11.343 2.398 ( -5.627 4.392 0.000) 7.138 2.398 ( 5.627 4.392 0.000) 7.138 2.438 ( -0.829 6.381 0.000) 6.435 2.438 ( 0.829 6.381 0.000) 6.435 2.602 ( -1.394 0.557 0.000) 1.501 2.602 ( 1.394 0.557 0.000) 1.501 2.645 ( -3.334 4.295 0.000) 5.437 2.645 ( 3.334 4.295 0.000) 5.437 2.677 ( -2.006 -1.273 0.000) 2.376 2.677 ( 2.006 -1.273 0.000) 2.376 2.793 ( -0.961 10.267 0.000) 10.312 2.793 ( 0.961 10.267 0.000) 10.312 2.830 ( -3.192 0.094 0.000) 3.193 2.830 ( 3.192 0.094 0.000) 3.193 3.003 ( -2.871 -0.623 0.000) 2.938 3.003 ( 2.871 -0.623 0.000) 2.938 3.069 ( -7.065 -5.354 0.000) 8.865 3.069 ( 7.065 -5.354 0.000) 8.865 3.277 ( -5.173 -7.486 0.000) 9.099 3.277 ( 5.173 -7.486 0.000) 9.099 3.546 ( -0.621 9.538 0.000) 9.558 3.546 ( 0.621 9.538 0.000) 9.558 3.631 ( -1.735 -0.156 0.000) 1.742 3.631 ( 1.735 -0.156 0.000) 1.742 3.729 ( -2.688 -2.842 0.000) 3.912 3.729 ( 2.688 -2.842 0.000) 3.912 3.987 ( -0.412 2.322 0.000) 2.358 3.987 ( 0.412 2.322 0.000) 2.358 4.133 ( -1.904 -0.108 0.000) 1.907 4.133 ( 1.904 -0.108 0.000) 1.907 4.211 ( -2.280 -2.295 0.000) 3.236 4.211 ( 2.280 -2.295 0.000) 3.236 4.281 ( -0.988 -2.177 0.000) 2.391 4.281 ( 0.988 -2.177 0.000) 2.391 4.360 ( -1.594 3.689 0.000) 4.018 4.360 ( 1.594 3.689 0.000) 4.018 4.470 ( -1.965 2.976 0.000) 3.566 4.470 ( 1.965 2.976 0.000) 3.566 4.740 ( -4.232 3.876 0.000) 5.739 4.740 ( 4.232 3.876 0.000) 5.739 4.876 ( -3.096 6.707 0.000) 7.387 4.876 ( 3.096 6.707 0.000) 7.387 5.125 ( -2.026 -4.388 0.000) 4.833 5.125 ( 2.026 -4.388 0.000) 4.833 5.195 ( -2.697 -2.989 0.000) 4.026 5.195 ( 2.697 -2.989 0.000) 4.026 5.831 ( -0.365 -1.681 0.000) 1.720 5.831 ( 0.365 -1.681 0.000) 1.720 5.885 ( -0.761 -2.505 0.000) 2.618 5.885 ( 0.761 -2.505 0.000) 2.618 5.934 ( -1.149 -3.452 0.000) 3.638 5.934 ( 1.149 -3.452 0.000) 3.638 6.005 ( -1.204 -4.823 0.000) 4.971 6.005 ( 1.204 -4.823 0.000) 4.971 6.197 ( -1.859 -4.350 0.000) 4.731 6.197 ( 1.859 -4.350 0.000) 4.731 6.317 ( -2.687 -7.062 0.000) 7.556 6.317 ( 2.687 -7.062 0.000) 7.556 6.495 ( -2.496 -2.000 0.000) 3.198 6.495 ( 2.496 -2.000 0.000) 3.198 6.668 ( -5.383 -6.142 0.000) 8.167 6.668 ( 5.383 -6.142 0.000) 8.167 7.240 ( -2.994 3.607 0.000) 4.687 7.240 ( 2.994 3.607 0.000) 4.687 7.354 ( -1.303 -0.330 0.000) 1.344 7.354 ( 1.303 -0.330 0.000) 1.344 7.720 ( -2.402 5.054 0.000) 5.595 7.720 ( 2.402 5.054 0.000) 5.595 7.887 ( -1.684 -1.051 0.000) 1.985 7.887 ( 1.684 -1.051 0.000) 1.985 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 -0.199 0.000) 0.199 0.748 ( 0.000 -1.660 0.000) 1.660 1.056 ( 0.000 0.288 0.000) 0.288 1.078 ( 0.000 -1.902 0.000) 1.902 1.304 ( 0.000 1.771 0.000) 1.771 1.349 ( 0.000 -2.361 0.000) 2.361 1.383 ( 0.000 0.417 0.000) 0.417 1.397 ( 0.000 -0.924 0.000) 0.924 1.784 ( 0.000 3.765 0.000) 3.765 1.845 ( 0.000 -1.860 0.000) 1.860 1.909 ( 0.000 3.034 0.000) 3.034 1.927 ( 0.000 1.401 0.000) 1.401 2.458 ( 0.000 6.723 0.000) 6.723 2.468 ( 0.000 -0.268 0.000) 0.268 2.473 ( 0.000 4.934 0.000) 4.934 2.480 ( 0.000 -1.068 0.000) 1.068 2.535 ( 0.000 -1.253 0.000) 1.253 2.563 ( 0.000 10.267 0.000) 10.267 2.567 ( 0.000 -2.493 0.000) 2.493 2.599 ( 0.000 2.336 0.000) 2.336 2.608 ( 0.000 1.450 0.000) 1.450 2.703 ( 0.000 -3.003 0.000) 3.003 2.801 ( 0.000 13.143 0.000) 13.143 2.817 ( 0.000 -2.953 0.000) 2.953 2.837 ( 0.000 -8.318 0.000) 8.318 2.849 ( 0.000 6.078 0.000) 6.078 2.933 ( 0.000 0.503 0.000) 0.503 2.941 ( 0.000 3.772 0.000) 3.772 2.962 ( 0.000 3.024 0.000) 3.024 2.967 ( 0.000 -2.540 0.000) 2.540 3.011 ( 0.000 12.230 0.000) 12.230 3.233 ( 0.000 -9.082 0.000) 9.082 3.247 ( 0.000 10.269 0.000) 10.269 3.256 ( 0.000 -13.284 0.000) 13.284 3.290 ( 0.000 -12.167 0.000) 12.167 3.455 ( 0.000 -7.994 0.000) 7.994 3.543 ( 0.000 3.117 0.000) 3.117 3.653 ( 0.000 -6.706 0.000) 6.706 3.749 ( 0.000 -0.557 0.000) 0.557 3.780 ( 0.000 -2.918 0.000) 2.918 3.843 ( 0.000 9.213 0.000) 9.213 3.850 ( 0.000 11.771 0.000) 11.771 4.010 ( 0.000 -8.152 0.000) 8.152 4.070 ( 0.000 -9.686 0.000) 9.686 4.168 ( 0.000 6.766 0.000) 6.766 4.194 ( 0.000 0.218 0.000) 0.218 4.214 ( 0.000 -1.980 0.000) 1.980 4.307 ( 0.000 -6.172 0.000) 6.172 4.343 ( 0.000 3.585 0.000) 3.585 4.409 ( 0.000 -2.755 0.000) 2.755 4.609 ( 0.000 5.003 0.000) 5.003 4.634 ( 0.000 2.095 0.000) 2.095 4.833 ( 0.000 11.346 0.000) 11.346 4.930 ( 0.000 10.830 0.000) 10.830 4.960 ( 0.000 2.260 0.000) 2.260 5.000 ( 0.000 -1.278 0.000) 1.278 5.039 ( 0.000 4.639 0.000) 4.639 5.048 ( 0.000 -9.289 0.000) 9.289 5.109 ( 0.000 -2.296 0.000) 2.296 5.117 ( 0.000 -7.616 0.000) 7.616 5.787 ( 0.000 -1.080 0.000) 1.080 5.813 ( 0.000 -3.569 0.000) 3.569 5.844 ( 0.000 -0.141 0.000) 0.141 5.861 ( 0.000 2.129 0.000) 2.129 5.861 ( 0.000 -1.220 0.000) 1.220 5.907 ( 0.000 -2.670 0.000) 2.670 5.949 ( 0.000 1.501 0.000) 1.501 5.955 ( 0.000 0.094 0.000) 0.094 6.151 ( 0.000 -0.658 0.000) 0.658 6.170 ( 0.000 -2.820 0.000) 2.820 6.250 ( 0.000 -2.801 0.000) 2.801 6.251 ( 0.000 -2.825 0.000) 2.825 6.417 ( 0.000 0.381 0.000) 0.381 6.448 ( 0.000 -2.813 0.000) 2.813 6.554 ( 0.000 2.398 0.000) 2.398 6.649 ( 0.000 -6.893 0.000) 6.893 7.273 ( 0.000 1.725 0.000) 1.725 7.320 ( 0.000 -2.805 0.000) 2.805 7.417 ( 0.000 4.825 0.000) 4.825 7.479 ( 0.000 -1.327 0.000) 1.327 7.751 ( 0.000 -0.034 0.000) 0.034 7.763 ( 0.000 -0.921 0.000) 0.921 7.796 ( 0.000 2.071 0.000) 2.071 7.814 ( 0.000 0.294 0.000) 0.294 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 5.586 1.273 0.000) 5.729 0.836 ( 7.066 -2.976 0.000) 7.667 1.024 ( -2.951 1.574 0.000) 3.345 1.074 ( -1.472 -3.173 0.000) 3.498 1.299 ( -0.033 1.195 0.000) 1.196 1.333 ( -0.968 -1.871 0.000) 2.106 1.359 ( -1.987 0.586 0.000) 2.071 1.379 ( -1.659 -1.261 0.000) 2.084 1.816 ( 2.695 4.015 0.000) 4.835 1.872 ( 2.297 -1.284 0.000) 2.631 1.903 ( -0.677 3.444 0.000) 3.510 1.926 ( -0.185 1.147 0.000) 1.162 2.416 ( -0.215 5.492 0.000) 5.496 2.454 ( -1.037 1.135 0.000) 1.537 2.468 ( -3.828 5.783 0.000) 6.935 2.484 ( -0.060 -1.409 0.000) 1.410 2.546 ( 0.744 -0.345 0.000) 0.820 2.575 ( 2.880 6.546 0.000) 7.151 2.605 ( -1.052 3.973 0.000) 4.110 2.625 ( 1.371 1.134 0.000) 1.779 2.643 ( 3.408 -2.377 0.000) 4.155 2.674 ( -0.891 -4.936 0.000) 5.016 2.696 ( -5.427 7.359 0.000) 9.144 2.735 ( -8.460 3.958 0.000) 9.340 2.776 ( -0.102 1.883 0.000) 1.886 2.891 ( 2.768 -6.435 0.000) 7.005 2.928 ( -0.975 3.620 0.000) 3.749 2.930 ( 1.096 0.793 0.000) 1.353 2.952 ( 0.030 1.078 0.000) 1.078 2.976 ( 0.057 -2.884 0.000) 2.884 3.062 ( 1.638 12.393 0.000) 12.500 3.116 ( -8.005 -5.088 0.000) 9.485 3.205 ( -4.116 -9.712 0.000) 10.548 3.229 ( -1.694 9.761 0.000) 9.907 3.365 ( 3.648 -14.419 0.000) 14.873 3.450 ( -0.630 -9.811 0.000) 9.832 3.611 ( 6.072 5.632 0.000) 8.282 3.717 ( 3.201 -3.588 0.000) 4.809 3.755 ( 0.319 1.102 0.000) 1.147 3.774 ( -0.779 2.102 0.000) 2.241 3.920 ( 6.417 7.807 0.000) 10.106 3.930 ( 6.442 2.626 0.000) 6.956 4.037 ( 2.673 -5.828 0.000) 6.412 4.095 ( 2.145 -6.580 0.000) 6.921 4.180 ( 0.991 4.386 0.000) 4.497 4.181 ( -1.561 -0.857 0.000) 1.781 4.215 ( 0.458 -2.480 0.000) 2.522 4.285 ( -2.360 -4.620 0.000) 5.188 4.370 ( 2.553 2.809 0.000) 3.796 4.424 ( 1.387 -2.194 0.000) 2.595 4.526 ( -5.746 6.027 0.000) 8.327 4.592 ( -4.372 -0.092 0.000) 4.373 4.840 ( 0.707 10.603 0.000) 10.626 4.921 ( -2.791 4.876 0.000) 5.618 4.968 ( 2.423 8.635 0.000) 8.969 5.012 ( -0.286 -2.278 0.000) 2.296 5.034 ( -0.776 -8.217 0.000) 8.254 5.035 ( 0.228 3.181 0.000) 3.189 5.107 ( 0.000 -2.659 0.000) 2.659 5.122 ( 0.153 -6.916 0.000) 6.918 5.809 ( 1.926 -0.515 0.000) 1.993 5.830 ( 0.922 -1.730 0.000) 1.961 5.833 ( -0.527 0.852 0.000) 1.002 5.863 ( 0.794 0.596 0.000) 0.993 5.872 ( 0.563 -2.329 0.000) 2.396 5.909 ( 0.172 -3.179 0.000) 3.183 5.929 ( -1.832 1.434 0.000) 2.326 5.946 ( -0.939 -0.806 0.000) 1.237 6.145 ( -0.323 -0.288 0.000) 0.433 6.176 ( 0.646 -3.386 0.000) 3.447 6.200 ( -2.950 -0.874 0.000) 3.077 6.240 ( -1.832 -4.669 0.000) 5.016 6.442 ( 2.333 1.248 0.000) 2.646 6.489 ( 3.217 -3.364 0.000) 4.654 6.538 ( -1.477 2.290 0.000) 2.725 6.625 ( -2.297 -6.177 0.000) 6.590 7.261 ( 0.093 2.585 0.000) 2.587 7.321 ( -0.016 -3.403 0.000) 3.403 7.376 ( -3.377 3.518 0.000) 4.876 7.417 ( -4.718 -0.493 0.000) 4.744 7.758 ( 1.815 3.037 0.000) 3.538 7.815 ( 0.368 1.882 0.000) 1.918 7.817 ( 2.966 -2.942 0.000) 4.178 7.833 ( 1.919 -0.087 0.000) 1.921 ======================= Grid point 32 (21/63) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -6.449 2.189 0.000) 6.810 0.925 ( 6.449 2.189 0.000) 6.810 0.989 ( -6.657 -3.756 0.000) 7.644 0.989 ( 6.657 -3.756 0.000) 7.644 1.317 ( -1.724 0.648 0.000) 1.842 1.317 ( 1.724 0.648 0.000) 1.842 1.339 ( -1.672 -1.458 0.000) 2.218 1.339 ( 1.672 -1.458 0.000) 2.218 1.873 ( -2.351 4.050 0.000) 4.683 1.873 ( 2.351 4.050 0.000) 4.683 1.914 ( -1.263 0.127 0.000) 1.269 1.914 ( 1.263 0.127 0.000) 1.269 2.429 ( -0.616 5.060 0.000) 5.097 2.429 ( 0.616 5.060 0.000) 5.097 2.454 ( -3.070 2.735 0.000) 4.111 2.454 ( 3.070 2.735 0.000) 4.111 2.556 ( -0.231 1.644 0.000) 1.660 2.556 ( 0.231 1.644 0.000) 1.660 2.599 ( -3.198 2.051 0.000) 3.799 2.599 ( 3.198 2.051 0.000) 3.799 2.648 ( -0.578 -1.005 0.000) 1.160 2.648 ( 0.578 -1.005 0.000) 1.160 2.685 ( -1.002 -0.528 0.000) 1.133 2.685 ( 1.002 -0.528 0.000) 1.133 2.881 ( -6.476 5.581 0.000) 8.549 2.881 ( 6.476 5.581 0.000) 8.549 2.932 ( -2.503 0.399 0.000) 2.535 2.932 ( 2.503 0.399 0.000) 2.535 2.975 ( -1.118 -3.641 0.000) 3.809 2.975 ( 1.118 -3.641 0.000) 3.809 3.011 ( -5.574 -2.808 0.000) 6.242 3.011 ( 5.574 -2.808 0.000) 6.242 3.186 ( -1.941 6.307 0.000) 6.599 3.186 ( 1.941 6.307 0.000) 6.599 3.422 ( -2.088 -12.594 0.000) 12.766 3.422 ( 2.088 -12.594 0.000) 12.766 3.724 ( -3.882 3.697 0.000) 5.361 3.724 ( 3.882 3.697 0.000) 5.361 3.755 ( -0.926 1.059 0.000) 1.406 3.755 ( 0.926 1.059 0.000) 1.406 4.016 ( -0.135 3.056 0.000) 3.059 4.016 ( 0.135 3.056 0.000) 3.059 4.110 ( -3.577 -4.717 0.000) 5.920 4.110 ( 3.577 -4.717 0.000) 5.920 4.170 ( -3.240 2.274 0.000) 3.958 4.170 ( 3.240 2.274 0.000) 3.958 4.230 ( -1.100 -3.116 0.000) 3.305 4.230 ( 1.100 -3.116 0.000) 3.305 4.432 ( -3.123 3.165 0.000) 4.447 4.432 ( 3.123 3.165 0.000) 4.447 4.484 ( -5.012 -1.639 0.000) 5.273 4.484 ( 5.012 -1.639 0.000) 5.273 4.867 ( -2.082 8.105 0.000) 8.368 4.867 ( 2.082 8.105 0.000) 8.368 4.996 ( -0.687 2.106 0.000) 2.215 4.996 ( 0.687 2.106 0.000) 2.215 5.036 ( -0.524 -2.445 0.000) 2.501 5.036 ( 0.524 -2.445 0.000) 2.501 5.116 ( -0.677 -4.700 0.000) 4.748 5.116 ( 0.677 -4.700 0.000) 4.748 5.828 ( -0.003 1.315 0.000) 1.315 5.828 ( 0.003 1.315 0.000) 1.315 5.863 ( -2.093 -0.884 0.000) 2.272 5.863 ( 2.093 -0.884 0.000) 2.272 5.892 ( -1.238 -0.679 0.000) 1.412 5.892 ( 1.238 -0.679 0.000) 1.412 5.920 ( -1.223 -3.072 0.000) 3.306 5.920 ( 1.223 -3.072 0.000) 3.306 6.152 ( -1.352 0.077 0.000) 1.354 6.152 ( 1.352 0.077 0.000) 1.354 6.200 ( -1.707 -4.457 0.000) 4.773 6.200 ( 1.707 -4.457 0.000) 4.773 6.496 ( -2.539 1.869 0.000) 3.153 6.496 ( 2.539 1.869 0.000) 3.153 6.562 ( -3.590 -4.527 0.000) 5.777 6.562 ( 3.590 -4.527 0.000) 5.777 7.300 ( -3.455 2.467 0.000) 4.246 7.300 ( 3.455 2.467 0.000) 4.246 7.338 ( -2.217 -1.377 0.000) 2.610 7.338 ( 2.217 -1.377 0.000) 2.610 7.801 ( -1.711 3.256 0.000) 3.678 7.801 ( 1.711 3.256 0.000) 3.678 7.854 ( -0.382 -2.197 0.000) 2.230 7.854 ( 0.382 -2.197 0.000) 2.230 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 0.000 19.307) 19.307 0.413 ( 0.000 0.000 21.402) 21.402 0.728 ( 0.000 0.000 39.057) 39.057 0.840 ( 0.000 0.000 -5.706) 5.706 0.873 ( 0.000 0.000 -5.168) 5.168 1.005 ( 0.000 0.000 1.539) 1.539 1.032 ( 0.000 0.000 -0.131) 0.131 1.187 ( 0.000 0.000 -0.147) 0.147 1.212 ( 0.000 0.000 -0.674) 0.674 1.291 ( 0.000 0.000 0.805) 0.805 1.310 ( 0.000 0.000 3.631) 3.631 1.329 ( 0.000 0.000 6.351) 6.351 1.472 ( 0.000 0.000 -9.105) 9.105 1.487 ( 0.000 0.000 0.676) 0.676 1.487 ( 0.000 0.000 0.967) 0.967 1.619 ( 0.000 0.000 -4.880) 4.880 1.759 ( 0.000 0.000 -10.634) 10.634 1.849 ( 0.000 0.000 9.478) 9.478 1.860 ( 0.000 0.000 -7.606) 7.606 1.866 ( 0.000 0.000 8.754) 8.754 2.203 ( 0.000 0.000 8.048) 8.048 2.240 ( 0.000 0.000 7.148) 7.148 2.359 ( 0.000 0.000 -6.854) 6.854 2.362 ( 0.000 0.000 -1.672) 1.672 2.426 ( 0.000 0.000 4.215) 4.215 2.519 ( 0.000 0.000 -19.886) 19.886 2.543 ( 0.000 0.000 -1.619) 1.619 2.780 ( 0.000 0.000 -9.666) 9.666 2.839 ( 0.000 0.000 -1.815) 1.815 2.907 ( 0.000 0.000 -10.151) 10.151 3.007 ( 0.000 0.000 2.357) 2.357 3.071 ( 0.000 0.000 -4.546) 4.546 3.102 ( 0.000 0.000 -7.263) 7.263 3.167 ( 0.000 0.000 -7.248) 7.248 3.338 ( 0.000 0.000 6.574) 6.574 3.462 ( 0.000 0.000 10.955) 10.955 3.463 ( 0.000 0.000 -1.008) 1.008 3.687 ( 0.000 0.000 2.987) 2.987 3.727 ( 0.000 0.000 10.035) 10.035 3.816 ( 0.000 0.000 0.319) 0.319 3.831 ( 0.000 0.000 -1.769) 1.769 3.843 ( 0.000 0.000 3.949) 3.949 3.883 ( 0.000 0.000 -6.641) 6.641 3.915 ( 0.000 0.000 -2.787) 2.787 3.949 ( 0.000 0.000 6.130) 6.130 3.988 ( 0.000 0.000 1.237) 1.237 4.003 ( 0.000 0.000 0.282) 0.282 4.021 ( 0.000 0.000 0.379) 0.379 4.045 ( 0.000 0.000 -0.669) 0.669 4.111 ( 0.000 0.000 1.578) 1.578 4.226 ( 0.000 0.000 7.783) 7.783 4.281 ( 0.000 0.000 3.280) 3.280 4.565 ( 0.000 0.000 -2.978) 2.978 4.793 ( 0.000 0.000 -7.506) 7.506 4.923 ( 0.000 0.000 0.223) 0.223 4.939 ( 0.000 0.000 -0.340) 0.340 5.187 ( 0.000 0.000 0.713) 0.713 5.226 ( 0.000 0.000 -1.310) 1.310 5.236 ( 0.000 0.000 4.184) 4.184 5.277 ( 0.000 0.000 1.104) 1.104 5.296 ( 0.000 0.000 -0.056) 0.056 5.375 ( 0.000 0.000 1.205) 1.205 5.519 ( 0.000 0.000 -2.122) 2.122 5.522 ( 0.000 0.000 -6.713) 6.713 5.571 ( 0.000 0.000 0.429) 0.429 5.595 ( 0.000 0.000 -0.648) 0.648 5.620 ( 0.000 0.000 0.075) 0.075 5.624 ( 0.000 0.000 -0.125) 0.125 6.154 ( 0.000 0.000 1.376) 1.376 6.222 ( 0.000 0.000 -1.895) 1.895 6.333 ( 0.000 0.000 4.531) 4.531 6.534 ( 0.000 0.000 -6.538) 6.538 6.636 ( 0.000 0.000 5.356) 5.356 6.900 ( 0.000 0.000 -7.418) 7.418 7.260 ( 0.000 0.000 16.213) 16.213 7.571 ( 0.000 0.000 1.653) 1.653 7.644 ( 0.000 0.000 4.999) 4.999 7.658 ( 0.000 0.000 -2.655) 2.655 7.797 ( 0.000 0.000 -8.157) 8.157 7.827 ( 0.000 0.000 -5.456) 5.456 8.088 ( 0.000 0.000 3.946) 3.946 8.210 ( 0.000 0.000 -2.374) 2.374 8.502 ( 0.000 0.000 3.053) 3.053 8.623 ( 0.000 0.000 -2.456) 2.456 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 11.488 0.000 13.587) 17.793 0.584 ( 14.195 0.000 12.372) 18.831 0.881 ( 7.026 0.000 -2.705) 7.529 0.886 ( 0.174 0.000 -3.648) 3.652 0.968 ( 14.536 0.000 15.238) 21.060 0.971 ( -2.215 0.000 2.103) 3.054 1.025 ( -1.177 0.000 -0.674) 1.357 1.091 ( -6.640 0.000 3.029) 7.299 1.172 ( -4.129 0.000 1.433) 4.371 1.273 ( 0.193 0.000 2.917) 2.924 1.322 ( 1.162 0.000 3.926) 4.095 1.376 ( -7.794 0.000 -3.453) 8.525 1.445 ( -3.758 0.000 3.431) 5.089 1.477 ( 4.389 0.000 3.186) 5.424 1.605 ( 4.401 0.000 7.135) 8.383 1.751 ( -0.120 0.000 -11.242) 11.243 1.791 ( 11.822 0.000 -1.673) 11.940 1.827 ( -2.718 0.000 -8.511) 8.935 1.911 ( 5.744 0.000 -3.043) 6.500 1.992 ( 5.003 0.000 2.775) 5.721 2.240 ( -1.095 0.000 -2.212) 2.468 2.243 ( 3.490 0.000 7.373) 8.158 2.348 ( 4.289 0.000 -0.991) 4.402 2.398 ( -2.635 0.000 4.716) 5.402 2.402 ( 3.301 0.000 -1.806) 3.762 2.525 ( -1.709 0.000 -1.734) 2.435 2.561 ( 3.150 0.000 -17.493) 17.774 2.772 ( 0.341 0.000 -7.747) 7.755 2.851 ( -0.368 0.000 -7.991) 7.999 2.900 ( 0.381 0.000 -8.451) 8.460 2.990 ( -1.228 0.000 -1.433) 1.887 3.024 ( -5.643 0.000 -3.284) 6.530 3.098 ( -0.566 0.000 -7.846) 7.866 3.121 ( -4.798 0.000 -9.716) 10.836 3.239 ( -7.099 0.000 3.225) 7.797 3.334 ( -10.416 0.000 -1.915) 10.590 3.470 ( 2.117 0.000 10.212) 10.429 3.693 ( -5.164 0.000 9.508) 10.820 3.704 ( -5.897 0.000 2.554) 6.426 3.708 ( 1.899 0.000 2.825) 3.404 3.782 ( -8.158 0.000 6.064) 10.165 3.801 ( -1.580 0.000 1.802) 2.397 3.844 ( 1.362 0.000 -3.031) 3.323 3.907 ( -0.852 0.000 -2.995) 3.114 3.953 ( 3.293 0.000 5.094) 6.066 3.986 ( -0.133 0.000 1.181) 1.189 3.996 ( -0.557 0.000 0.532) 0.771 4.024 ( 0.323 0.000 0.191) 0.375 4.042 ( -0.336 0.000 -0.540) 0.636 4.095 ( -1.387 0.000 3.744) 3.992 4.220 ( 0.614 0.000 3.048) 3.109 4.328 ( 0.568 0.000 1.132) 1.266 4.580 ( 2.581 0.000 1.933) 3.225 4.859 ( 1.506 0.000 -3.613) 3.914 4.887 ( -1.557 0.000 -2.334) 2.805 4.982 ( 3.320 0.000 -2.185) 3.975 5.197 ( 0.930 0.000 0.592) 1.102 5.230 ( 0.123 0.000 -1.093) 1.100 5.271 ( -0.378 0.000 1.016) 1.084 5.286 ( 4.738 0.000 2.540) 5.376 5.289 ( -0.641 0.000 -0.077) 0.646 5.399 ( 1.096 0.000 0.806) 1.361 5.512 ( 1.095 0.000 -4.127) 4.270 5.561 ( 1.345 0.000 -2.534) 2.868 5.575 ( 0.365 0.000 0.346) 0.503 5.592 ( -0.269 0.000 -0.376) 0.462 5.620 ( 0.036 0.000 -0.049) 0.061 5.624 ( -0.039 0.000 -0.178) 0.182 6.223 ( 5.520 0.000 1.880) 5.831 6.302 ( 4.364 0.000 -1.434) 4.593 6.368 ( 2.638 0.000 3.137) 4.099 6.494 ( -3.492 0.000 -2.450) 4.266 6.660 ( 3.109 0.000 5.555) 6.366 6.952 ( -2.066 0.000 10.232) 10.439 6.997 ( -5.367 0.000 4.609) 7.074 7.467 ( -10.468 0.000 -3.167) 10.937 7.627 ( 1.808 0.000 1.246) 2.195 7.677 ( 1.199 0.000 -0.700) 1.388 7.794 ( -1.822 0.000 -5.205) 5.515 7.832 ( -2.395 0.000 -4.454) 5.057 8.131 ( 4.020 0.000 3.677) 5.448 8.272 ( 4.515 0.000 -2.755) 5.290 8.389 ( -10.090 0.000 9.371) 13.771 8.471 ( -4.220 0.000 1.481) 4.472 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -9.286 0.000 4.855) 10.479 0.789 ( 9.286 0.000 4.855) 10.479 0.871 ( -13.136 0.000 8.478) 15.634 0.871 ( 13.136 0.000 8.478) 15.634 0.983 ( -2.439 0.000 -0.946) 2.616 0.983 ( 2.439 0.000 -0.946) 2.616 1.030 ( -5.628 0.000 -1.265) 5.769 1.030 ( 5.628 0.000 -1.265) 5.769 1.173 ( -8.578 0.000 -0.377) 8.587 1.173 ( 8.578 0.000 -0.377) 8.587 1.365 ( -3.223 0.000 4.542) 5.569 1.365 ( 3.223 0.000 4.542) 5.569 1.475 ( -7.585 0.000 6.903) 10.256 1.475 ( 7.585 0.000 6.903) 10.256 1.772 ( -2.153 0.000 -10.432) 10.651 1.772 ( 2.153 0.000 -10.432) 10.651 1.787 ( -13.750 0.000 7.841) 15.828 1.787 ( 13.750 0.000 7.841) 15.828 1.967 ( -5.380 0.000 2.314) 5.857 1.967 ( 5.380 0.000 2.314) 5.857 2.326 ( -4.117 0.000 6.015) 7.289 2.326 ( 4.117 0.000 6.015) 7.289 2.339 ( -6.839 0.000 -6.117) 9.175 2.339 ( 6.839 0.000 -6.117) 9.175 2.474 ( -3.195 0.000 -1.903) 3.719 2.474 ( 3.195 0.000 -1.903) 3.719 2.732 ( -9.401 0.000 -7.601) 12.089 2.732 ( 9.401 0.000 -7.601) 12.089 2.861 ( -6.783 0.000 -15.181) 16.628 2.861 ( 6.783 0.000 -15.181) 16.628 2.946 ( -1.284 0.000 -6.400) 6.527 2.946 ( 1.284 0.000 -6.400) 6.527 3.076 ( -5.627 0.000 -2.296) 6.078 3.076 ( 5.627 0.000 -2.296) 6.078 3.155 ( -5.453 0.000 -3.656) 6.565 3.155 ( 5.453 0.000 -3.656) 6.565 3.561 ( -5.501 0.000 7.484) 9.289 3.561 ( 5.501 0.000 7.484) 9.289 3.679 ( -1.402 0.000 8.112) 8.232 3.679 ( 1.402 0.000 8.112) 8.232 3.756 ( -2.513 0.000 2.412) 3.484 3.756 ( 2.513 0.000 2.412) 3.484 3.879 ( -1.734 0.000 -3.174) 3.616 3.879 ( 1.734 0.000 -3.174) 3.616 3.987 ( -0.240 0.000 0.934) 0.964 3.987 ( 0.240 0.000 0.934) 0.964 4.033 ( -0.459 0.000 -0.197) 0.499 4.033 ( 0.459 0.000 -0.197) 0.499 4.035 ( -4.102 0.000 6.776) 7.921 4.035 ( 4.102 0.000 6.776) 7.921 4.274 ( -3.997 0.000 -1.269) 4.194 4.274 ( 3.997 0.000 -1.269) 4.194 4.707 ( -8.599 0.000 4.635) 9.768 4.707 ( 8.599 0.000 4.635) 9.768 4.983 ( -3.467 0.000 -6.956) 7.772 4.983 ( 3.467 0.000 -6.956) 7.772 5.220 ( -1.032 0.000 0.046) 1.033 5.220 ( 1.032 0.000 0.046) 1.033 5.274 ( -0.681 0.000 0.166) 0.701 5.274 ( 0.681 0.000 0.166) 0.701 5.381 ( -3.192 0.000 1.382) 3.478 5.381 ( 3.192 0.000 1.382) 3.478 5.553 ( -1.986 0.000 -2.544) 3.228 5.553 ( 1.986 0.000 -2.544) 3.228 5.584 ( -0.462 0.000 0.077) 0.469 5.584 ( 0.462 0.000 0.077) 0.469 5.622 ( -0.122 0.000 -0.200) 0.234 5.622 ( 0.122 0.000 -0.200) 0.234 6.326 ( -3.051 0.000 2.865) 4.186 6.326 ( 3.051 0.000 2.865) 4.186 6.418 ( -3.195 0.000 0.549) 3.242 6.418 ( 3.195 0.000 0.549) 3.242 6.768 ( -7.052 0.000 11.101) 13.152 6.768 ( 7.052 0.000 11.101) 13.152 7.196 ( -13.728 0.000 -8.164) 15.972 7.196 ( 13.728 0.000 -8.164) 15.972 7.691 ( -2.119 0.000 0.269) 2.136 7.691 ( 2.119 0.000 0.269) 2.136 7.765 ( -1.688 0.000 -2.638) 3.132 7.765 ( 1.688 0.000 -2.638) 3.132 8.229 ( -5.522 0.000 6.321) 8.393 8.229 ( 5.522 0.000 6.321) 8.393 8.378 ( -4.823 0.000 -1.574) 5.073 8.378 ( 4.823 0.000 -1.574) 5.073 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 12.852 11.427) 17.197 0.610 ( 0.000 16.006 13.273) 20.793 0.865 ( 0.000 2.152 -4.610) 5.087 1.024 ( 0.000 11.311 -4.794) 12.285 1.037 ( 0.000 22.042 15.773) 27.104 1.095 ( 0.000 8.300 0.577) 8.320 1.115 ( 0.000 8.354 1.569) 8.500 1.193 ( 0.000 1.112 0.292) 1.150 1.234 ( 0.000 2.708 -1.192) 2.959 1.294 ( 0.000 0.842 0.342) 0.909 1.299 ( 0.000 -1.869 5.155) 5.483 1.419 ( 0.000 -2.948 -1.720) 3.413 1.489 ( 0.000 -5.773 -2.377) 6.243 1.491 ( 0.000 3.764 -8.514) 9.309 1.567 ( 0.000 16.203 -0.492) 16.210 1.637 ( 0.000 9.898 -1.813) 10.063 1.873 ( 0.000 1.963 8.720) 8.938 1.903 ( 0.000 6.277 8.637) 10.677 1.969 ( 0.000 11.986 -4.899) 12.948 1.999 ( 0.000 11.147 -7.268) 13.307 2.193 ( 0.000 -4.844 4.395) 6.541 2.265 ( 0.000 4.490 8.708) 9.797 2.300 ( 0.000 7.768 5.230) 9.364 2.438 ( 0.000 5.469 -0.142) 5.471 2.570 ( 0.000 5.368 -15.754) 16.644 2.580 ( 0.000 9.486 3.314) 10.048 2.675 ( 0.000 12.424 -1.672) 12.536 2.773 ( 0.000 1.449 -9.433) 9.544 2.849 ( 0.000 1.835 -2.907) 3.437 2.887 ( 0.000 -0.701 -7.524) 7.557 2.994 ( 0.000 -1.227 2.684) 2.951 3.029 ( 0.000 -2.419 -0.600) 2.492 3.095 ( 0.000 -0.397 -7.174) 7.185 3.156 ( 0.000 0.891 -5.719) 5.788 3.229 ( 0.000 -5.946 4.672) 7.562 3.356 ( 0.000 -9.153 -1.135) 9.223 3.420 ( 0.000 -2.663 6.984) 7.475 3.561 ( 0.000 -6.852 3.342) 7.623 3.738 ( 0.000 -5.668 5.420) 7.842 3.781 ( 0.000 -3.480 4.006) 5.307 3.794 ( 0.000 -5.922 -1.270) 6.057 3.846 ( 0.000 5.910 2.254) 6.325 3.889 ( 0.000 1.452 1.922) 2.409 3.928 ( 0.000 5.628 -2.361) 6.103 3.937 ( 0.000 1.297 -2.439) 2.762 4.003 ( 0.000 1.261 0.858) 1.525 4.026 ( 0.000 2.747 0.461) 2.786 4.032 ( 0.000 -3.518 -3.190) 4.749 4.120 ( 0.000 7.209 1.847) 7.442 4.168 ( 0.000 5.855 1.415) 6.024 4.220 ( 0.000 2.408 9.092) 9.405 4.281 ( 0.000 1.329 2.861) 3.154 4.512 ( 0.000 -4.060 -1.682) 4.395 4.774 ( 0.000 -1.798 -8.114) 8.311 4.864 ( 0.000 -3.597 0.465) 3.627 4.890 ( 0.000 -1.434 -0.911) 1.699 5.166 ( 0.000 -1.958 1.653) 2.563 5.283 ( 0.000 -3.700 -3.924) 5.393 5.396 ( 0.000 3.004 2.674) 4.022 5.398 ( 0.000 15.106 2.819) 15.367 5.450 ( 0.000 5.424 1.505) 5.629 5.466 ( 0.000 -0.677 -0.377) 0.775 5.528 ( 0.000 15.278 0.848) 15.302 5.588 ( 0.000 15.337 -2.245) 15.500 5.729 ( 0.000 9.733 -1.109) 9.796 5.781 ( 0.000 12.548 1.547) 12.643 5.792 ( 0.000 12.162 -4.850) 13.093 6.019 ( 0.000 18.666 -16.308) 24.787 6.184 ( 0.000 3.353 1.520) 3.681 6.285 ( 0.000 4.887 -4.755) 6.819 6.357 ( 0.000 4.050 2.828) 4.940 6.581 ( 0.000 4.897 -8.243) 9.588 6.625 ( 0.000 -0.802 6.416) 6.466 6.911 ( 0.000 0.905 -7.295) 7.351 7.258 ( 0.000 -1.400 15.606) 15.669 7.492 ( 0.000 -7.570 2.089) 7.853 7.565 ( 0.000 -6.864 5.210) 8.617 7.588 ( 0.000 -6.715 -2.659) 7.223 7.733 ( 0.000 -8.642 -7.719) 11.587 7.810 ( 0.000 -1.404 -7.974) 8.097 7.950 ( 0.000 -12.508 3.597) 13.015 8.071 ( 0.000 -13.271 -2.287) 13.467 8.329 ( 0.000 -18.025 9.322) 20.293 8.362 ( 0.000 -12.876 1.908) 13.017 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 11.559 9.665 6.371) 16.359 0.719 ( 9.869 12.221 10.061) 18.654 0.869 ( 2.843 1.391 -2.272) 3.896 1.019 ( -1.380 7.901 -2.606) 8.433 1.074 ( -3.637 6.474 0.350) 7.433 1.090 ( 0.136 8.590 1.497) 8.720 1.118 ( -1.959 6.745 0.870) 7.078 1.142 ( 0.610 9.869 4.341) 10.799 1.206 ( -1.640 3.934 3.525) 5.531 1.279 ( 2.626 3.382 0.989) 4.394 1.365 ( -5.790 -0.567 -2.358) 6.278 1.415 ( 2.245 -2.959 0.664) 3.773 1.447 ( 2.168 2.267 4.620) 5.584 1.584 ( 0.711 13.751 3.503) 14.208 1.626 ( 4.607 4.338 -0.241) 6.332 1.724 ( 6.843 2.114 -8.150) 10.849 1.877 ( 3.021 4.992 4.833) 7.576 1.933 ( 0.822 4.845 -0.255) 4.921 2.004 ( 3.537 9.781 -6.969) 12.519 2.036 ( 2.273 6.642 0.963) 7.086 2.148 ( -2.144 -1.481 6.920) 7.395 2.309 ( 2.172 2.575 4.389) 5.533 2.357 ( 5.019 6.191 4.149) 8.985 2.465 ( 2.854 4.474 0.188) 5.310 2.546 ( 0.793 10.194 -1.684) 10.363 2.613 ( 0.288 5.149 -8.712) 10.124 2.653 ( -2.060 11.870 -1.806) 12.182 2.777 ( 0.595 1.862 -7.366) 7.621 2.839 ( -1.377 0.338 -7.644) 7.775 2.888 ( 0.575 -0.066 -4.952) 4.985 2.968 ( -2.175 -1.844 -0.997) 3.021 3.011 ( -2.901 -0.852 -0.771) 3.120 3.062 ( 0.130 -1.606 -6.060) 6.271 3.120 ( -5.667 1.204 -9.136) 10.819 3.198 ( -4.525 -2.956 0.792) 5.463 3.261 ( -7.800 -6.269 -1.549) 10.126 3.410 ( 1.397 -3.796 6.912) 8.008 3.535 ( -1.755 -8.185 3.316) 9.004 3.599 ( -7.661 -6.400 5.171) 11.242 3.657 ( -8.089 -3.303 4.209) 9.698 3.830 ( 0.773 -2.153 0.436) 2.329 3.841 ( -0.246 5.626 1.576) 5.848 3.898 ( 1.440 -0.274 2.028) 2.502 3.937 ( -0.177 1.460 -2.619) 3.003 3.941 ( 1.360 3.805 0.954) 4.151 4.011 ( 0.861 2.640 0.983) 2.946 4.028 ( 0.102 2.390 0.847) 2.538 4.088 ( 2.096 -0.345 0.420) 2.165 4.118 ( -2.363 4.677 2.492) 5.802 4.131 ( 1.039 6.856 -0.222) 6.937 4.189 ( -1.350 1.359 4.010) 4.444 4.311 ( -1.049 0.281 0.198) 1.104 4.549 ( 4.609 -2.249 2.570) 5.736 4.821 ( -4.697 -3.276 2.773) 6.363 4.845 ( 5.821 -2.116 -8.374) 10.415 4.955 ( 3.375 -1.674 -3.020) 4.828 5.213 ( 3.834 -1.144 1.340) 4.220 5.305 ( 1.157 -2.148 -0.968) 2.625 5.342 ( -0.244 6.372 -0.221) 6.380 5.427 ( -1.225 4.392 -1.598) 4.831 5.468 ( 2.504 7.695 2.896) 8.595 5.483 ( 0.767 7.126 0.905) 7.224 5.527 ( -0.206 13.116 1.387) 13.191 5.567 ( -2.175 15.635 -1.161) 15.828 5.746 ( 1.564 10.564 -1.367) 10.766 5.781 ( 0.466 12.247 -0.531) 12.267 5.795 ( -0.039 12.490 -2.839) 12.808 5.907 ( -6.640 18.607 -8.345) 21.446 6.254 ( 5.031 3.325 1.380) 6.187 6.327 ( 2.726 2.036 -0.664) 3.467 6.408 ( 3.102 4.297 0.208) 5.304 6.524 ( -4.024 2.322 -2.273) 5.172 6.671 ( 4.080 2.012 4.547) 6.432 6.966 ( 4.112 0.553 -2.162) 4.678 7.042 ( -12.022 4.129 13.394) 18.466 7.434 ( -9.328 -4.328 -1.340) 10.370 7.530 ( 2.282 -9.192 1.177) 9.544 7.600 ( 0.813 -7.303 -1.498) 7.499 7.712 ( -2.796 -7.809 -4.185) 9.290 7.759 ( -4.349 -7.155 -4.362) 9.441 8.002 ( 4.523 -11.647 3.157) 12.887 8.144 ( 5.129 -12.479 -3.111) 13.845 8.230 ( -6.688 -12.638 9.153) 16.977 8.328 ( -3.082 -12.807 0.854) 13.200 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -2.042 8.370 2.919) 9.096 0.895 ( 2.042 8.370 2.919) 9.096 0.952 ( -5.023 2.648 2.996) 6.420 0.952 ( 5.023 2.648 2.996) 6.420 0.980 ( -2.368 5.514 2.873) 6.654 0.980 ( 2.368 5.514 2.873) 6.654 1.140 ( -0.472 8.918 -2.214) 9.201 1.140 ( 0.472 8.918 -2.214) 9.201 1.215 ( -5.118 4.526 0.684) 6.867 1.215 ( 5.118 4.526 0.684) 6.867 1.392 ( -3.511 0.082 1.445) 3.797 1.392 ( 3.511 0.082 1.445) 3.797 1.539 ( -4.515 5.005 4.638) 8.182 1.539 ( 4.515 5.005 4.638) 8.182 1.751 ( -4.316 4.930 -4.294) 7.834 1.751 ( 4.316 4.930 -4.294) 7.834 1.952 ( -2.942 8.516 3.989) 9.853 1.952 ( 2.942 8.516 3.989) 9.853 2.005 ( -3.372 4.992 1.422) 6.189 2.005 ( 3.372 4.992 1.422) 6.189 2.246 ( -7.731 0.106 1.042) 7.801 2.246 ( 7.731 0.106 1.042) 7.801 2.473 ( -6.699 6.459 3.240) 9.853 2.473 ( 6.699 6.459 3.240) 9.853 2.588 ( -4.771 9.798 -1.683) 11.027 2.588 ( 4.771 9.798 -1.683) 11.027 2.721 ( -9.045 1.263 -4.499) 10.181 2.721 ( 9.045 1.263 -4.499) 10.181 2.854 ( -4.627 -0.628 -9.880) 10.928 2.854 ( 4.627 -0.628 -9.880) 10.928 2.946 ( -2.065 1.394 -9.402) 9.726 2.946 ( 2.065 1.394 -9.402) 9.726 3.068 ( -4.682 -0.579 -2.000) 5.124 3.068 ( 4.682 -0.579 -2.000) 5.124 3.114 ( -5.474 -2.972 -3.110) 6.963 3.114 ( 5.474 -2.972 -3.110) 6.963 3.500 ( -5.560 -4.266 5.990) 9.219 3.500 ( 5.560 -4.266 5.990) 9.219 3.524 ( -1.844 -7.290 5.352) 9.230 3.524 ( 1.844 -7.290 5.352) 9.230 3.837 ( -0.187 2.854 0.428) 2.892 3.837 ( 0.187 2.854 0.428) 2.892 3.923 ( -0.839 -1.209 -1.542) 2.132 3.923 ( 0.839 -1.209 -1.542) 2.132 4.000 ( -2.704 4.266 4.209) 6.574 4.000 ( 2.704 4.266 4.209) 6.574 4.044 ( -2.021 2.647 2.712) 4.294 4.044 ( 2.021 2.647 2.712) 4.294 4.130 ( -1.162 6.122 0.447) 6.247 4.130 ( 1.162 6.122 0.447) 6.247 4.237 ( -4.650 -1.469 -2.086) 5.304 4.237 ( 4.650 -1.469 -2.086) 5.304 4.685 ( -7.563 -1.395 4.819) 9.076 4.685 ( 7.563 -1.395 4.819) 9.076 4.953 ( -3.491 -2.418 -6.901) 8.103 4.953 ( 3.491 -2.418 -6.901) 8.103 5.283 ( -2.362 1.559 1.933) 3.427 5.283 ( 2.362 1.559 1.933) 3.427 5.392 ( -2.550 1.804 -2.985) 4.321 5.392 ( 2.550 1.804 -2.985) 4.321 5.504 ( -1.609 11.087 2.112) 11.401 5.504 ( 1.609 11.087 2.112) 11.401 5.516 ( -1.896 12.431 0.641) 12.591 5.516 ( 1.896 12.431 0.641) 12.591 5.780 ( -1.298 11.954 -2.252) 12.234 5.780 ( 1.298 11.954 -2.252) 12.234 5.813 ( -2.730 14.375 -2.142) 14.788 5.813 ( 2.730 14.375 -2.142) 14.788 6.344 ( -2.499 2.010 2.652) 4.161 6.344 ( 2.499 2.010 2.652) 4.161 6.451 ( -2.460 2.829 -0.745) 3.823 6.451 ( 2.460 2.829 -0.745) 3.823 6.800 ( -8.326 3.495 10.741) 14.032 6.800 ( 8.326 3.495 10.741) 14.032 7.184 ( -12.757 -1.898 -7.004) 14.676 7.184 ( 12.757 -1.898 -7.004) 14.676 7.605 ( -2.692 -7.978 0.115) 8.420 7.605 ( 2.692 -7.978 0.115) 8.420 7.674 ( -1.945 -8.758 -2.437) 9.297 7.674 ( 1.945 -8.758 -2.437) 9.297 8.105 ( -5.405 -11.257 5.685) 13.720 8.105 ( 5.405 -11.257 5.685) 13.720 8.247 ( -4.597 -12.123 -1.573) 13.061 8.247 ( 4.597 -12.123 -1.573) 13.061 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 7.891 3.997) 8.846 0.893 ( 0.000 1.039 -2.666) 2.861 0.933 ( 0.000 13.853 4.270) 14.496 1.175 ( 0.000 4.621 -5.542) 7.215 1.218 ( 0.000 0.759 1.571) 1.744 1.269 ( 0.000 3.409 1.422) 3.693 1.274 ( 0.000 5.698 -0.928) 5.774 1.297 ( 0.000 7.760 0.628) 7.785 1.343 ( 0.000 7.524 -2.553) 7.946 1.356 ( 0.000 3.105 -0.588) 3.160 1.404 ( 0.000 1.930 2.290) 2.995 1.415 ( 0.000 13.100 1.891) 13.236 1.422 ( 0.000 4.124 0.789) 4.199 1.605 ( 0.000 8.323 -8.163) 11.658 1.842 ( 0.000 7.813 2.200) 8.117 1.861 ( 0.000 12.263 -1.762) 12.389 1.998 ( 0.000 8.843 1.500) 8.970 2.056 ( 0.000 7.182 -0.668) 7.213 2.136 ( 0.000 5.729 0.427) 5.745 2.212 ( 0.000 16.320 13.077) 20.913 2.311 ( 0.000 12.238 -7.820) 14.523 2.402 ( 0.000 7.010 10.871) 12.935 2.509 ( 0.000 13.098 3.738) 13.621 2.534 ( 0.000 4.014 1.308) 4.222 2.713 ( 0.000 8.323 -6.483) 10.550 2.718 ( 0.000 3.010 -1.771) 3.493 2.838 ( 0.000 4.541 4.334) 6.277 2.899 ( 0.000 0.520 -0.064) 0.523 2.912 ( 0.000 0.364 1.576) 1.617 2.956 ( 0.000 10.918 -2.239) 11.145 3.027 ( 0.000 9.154 -1.653) 9.302 3.039 ( 0.000 4.999 -1.820) 5.320 3.102 ( 0.000 3.428 -3.498) 4.898 3.121 ( 0.000 -3.570 1.328) 3.809 3.168 ( 0.000 -8.016 -1.464) 8.148 3.225 ( 0.000 3.242 -4.675) 5.689 3.413 ( 0.000 3.460 -3.399) 4.850 3.454 ( 0.000 -3.252 -4.525) 5.573 3.634 ( 0.000 -3.297 6.007) 6.852 3.714 ( 0.000 -0.775 1.948) 2.097 3.757 ( 0.000 1.049 1.640) 1.947 3.891 ( 0.000 -2.624 -3.380) 4.279 3.935 ( 0.000 2.560 0.431) 2.596 3.937 ( 0.000 -1.080 -1.860) 2.151 3.964 ( 0.000 -0.896 -3.440) 3.555 3.991 ( 0.000 1.778 -2.465) 3.039 4.079 ( 0.000 5.576 0.869) 5.644 4.115 ( 0.000 4.683 0.034) 4.683 4.276 ( 0.000 5.307 5.291) 7.494 4.293 ( 0.000 8.110 0.625) 8.134 4.328 ( 0.000 6.276 5.601) 8.412 4.334 ( 0.000 4.780 2.363) 5.332 4.441 ( 0.000 -2.657 -0.050) 2.658 4.727 ( 0.000 -2.634 -7.313) 7.773 4.815 ( 0.000 -1.394 1.159) 1.812 4.883 ( 0.000 0.628 -1.803) 1.909 5.138 ( 0.000 -1.045 -0.353) 1.104 5.183 ( 0.000 -5.432 -2.536) 5.995 5.390 ( 0.000 -0.818 4.276) 4.354 5.430 ( 0.000 -1.619 2.356) 2.858 5.687 ( 0.000 12.124 0.683) 12.143 5.705 ( 0.000 12.585 -0.254) 12.587 5.822 ( 0.000 10.315 0.363) 10.322 5.859 ( 0.000 9.954 -1.326) 10.042 5.914 ( 0.000 9.732 1.208) 9.807 5.977 ( 0.000 7.007 -1.930) 7.268 6.000 ( 0.000 8.123 3.291) 8.764 6.203 ( 0.000 2.144 -5.616) 6.012 6.298 ( 0.000 7.871 1.269) 7.973 6.370 ( 0.000 4.779 -1.028) 4.888 6.479 ( 0.000 4.936 -0.001) 4.936 6.630 ( 0.000 2.554 7.915) 8.317 6.701 ( 0.000 4.255 -10.400) 11.236 6.923 ( 0.000 -0.523 -6.279) 6.301 7.117 ( 0.000 -12.418 10.788) 16.450 7.319 ( 0.000 -8.486 3.176) 9.061 7.420 ( 0.000 -9.105 -3.677) 9.820 7.442 ( 0.000 -5.272 5.353) 7.513 7.515 ( 0.000 -12.109 -9.011) 15.094 7.616 ( 0.000 -16.168 -1.858) 16.274 7.698 ( 0.000 -13.514 -1.494) 13.596 7.751 ( 0.000 -16.454 -2.227) 16.605 8.074 ( 0.000 -13.388 2.752) 13.668 8.083 ( 0.000 -6.481 5.015) 8.195 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 8.979 5.404 2.070) 10.682 0.914 ( 2.555 2.260 -0.589) 3.461 0.984 ( 4.836 12.579 3.711) 13.978 1.107 ( -5.081 3.217 0.262) 6.020 1.203 ( -3.996 5.106 0.519) 6.505 1.219 ( -4.464 4.314 -0.480) 6.227 1.262 ( -0.372 3.939 -1.660) 4.291 1.277 ( 1.706 3.412 -2.691) 4.668 1.351 ( -2.126 3.443 -0.575) 4.087 1.362 ( 0.194 6.998 -0.728) 7.038 1.416 ( 0.752 8.208 2.306) 8.559 1.430 ( 0.856 5.442 0.997) 5.598 1.508 ( 6.904 7.728 2.750) 10.721 1.690 ( 4.582 5.159 -5.723) 8.965 1.824 ( -0.612 8.317 1.100) 8.412 1.881 ( 1.846 9.208 -3.242) 9.935 1.998 ( 0.665 6.909 -1.237) 7.050 2.065 ( 0.229 8.041 -0.020) 8.044 2.145 ( -0.014 3.813 0.286) 3.823 2.254 ( 3.090 14.341 9.199) 17.315 2.296 ( -0.504 15.497 -2.599) 15.722 2.436 ( 3.421 7.456 8.183) 11.587 2.503 ( 3.363 5.285 1.895) 6.544 2.559 ( -0.522 8.861 3.896) 9.693 2.699 ( -2.074 4.490 -0.083) 4.946 2.750 ( 3.083 8.196 -4.170) 9.699 2.812 ( -2.042 1.938 1.335) 3.116 2.883 ( -1.839 -0.491 1.711) 2.559 2.905 ( -0.137 2.306 0.476) 2.358 2.947 ( -1.724 12.264 -3.077) 12.761 2.987 ( -1.907 5.052 -0.987) 5.489 3.026 ( -2.147 3.499 -0.786) 4.179 3.065 ( -1.571 2.624 -4.274) 5.256 3.140 ( -0.615 -2.218 -0.884) 2.466 3.147 ( -2.268 -2.902 -1.371) 3.930 3.185 ( -4.794 4.155 -4.558) 7.812 3.385 ( -0.410 1.430 -2.201) 2.657 3.424 ( -0.825 0.059 -4.007) 4.092 3.539 ( -5.346 1.153 3.714) 6.611 3.641 ( -8.461 1.732 0.512) 8.652 3.761 ( 2.349 -2.017 2.370) 3.899 3.879 ( -2.470 -3.926 -0.882) 4.722 3.922 ( -0.198 1.701 -3.012) 3.465 3.937 ( -0.412 1.803 -2.571) 3.167 3.990 ( 3.529 1.021 0.727) 3.744 4.051 ( 4.204 -0.091 -2.029) 4.669 4.090 ( 1.655 3.021 1.060) 3.604 4.107 ( -0.852 4.341 1.275) 4.604 4.215 ( -2.975 6.358 4.598) 8.391 4.289 ( -1.659 6.577 0.315) 6.790 4.296 ( -1.581 7.430 0.661) 7.625 4.348 ( -2.229 3.019 0.285) 3.764 4.520 ( 7.533 -0.206 4.238) 8.645 4.767 ( -1.423 -2.022 0.738) 2.580 4.802 ( 3.154 -2.224 -4.920) 6.253 4.926 ( 1.614 -1.370 -3.709) 4.271 5.190 ( 4.354 -1.302 -0.014) 4.544 5.226 ( 3.728 -3.960 -1.585) 5.665 5.379 ( -0.698 -0.228 4.387) 4.448 5.423 ( -0.942 -1.556 2.291) 2.925 5.717 ( 2.682 12.993 0.269) 13.270 5.731 ( 2.144 12.914 -0.353) 13.095 5.826 ( -0.192 11.135 -0.154) 11.138 5.844 ( -1.374 9.921 -0.762) 10.045 5.946 ( 2.344 9.918 1.033) 10.243 5.983 ( 1.213 6.981 0.397) 7.097 6.010 ( 0.716 8.754 0.336) 8.790 6.153 ( -4.064 6.732 -4.900) 9.265 6.345 ( 3.767 5.496 0.564) 6.687 6.384 ( 1.382 3.479 -0.015) 3.744 6.490 ( 0.435 1.533 0.188) 1.605 6.561 ( -4.514 3.138 1.506) 5.700 6.765 ( 4.779 5.064 -2.124) 7.279 6.943 ( 2.474 -3.738 -5.160) 6.835 7.058 ( -5.790 -6.290 9.166) 12.534 7.265 ( -10.294 -10.121 -0.910) 14.465 7.342 ( 2.560 -8.501 1.582) 9.018 7.432 ( 0.017 -7.887 -2.287) 8.212 7.515 ( -3.087 -10.865 -1.762) 11.432 7.545 ( -5.151 -13.233 -1.038) 14.238 7.748 ( 4.781 -12.640 -0.587) 13.526 7.818 ( 4.330 -18.121 -2.845) 18.847 8.014 ( -3.576 -10.670 5.086) 12.349 8.061 ( -3.181 -8.602 1.428) 9.282 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -4.268 2.899 1.709) 5.435 0.993 ( 4.268 2.899 1.709) 5.435 1.056 ( -6.747 5.195 -1.288) 8.612 1.056 ( 6.747 5.195 -1.288) 8.612 1.112 ( -4.635 6.803 2.884) 8.722 1.112 ( 4.635 6.803 2.884) 8.722 1.285 ( -2.306 2.824 -1.466) 3.930 1.285 ( 2.306 2.824 -1.466) 3.930 1.339 ( -2.020 6.437 -0.229) 6.750 1.339 ( 2.020 6.437 -0.229) 6.750 1.435 ( -0.525 7.667 0.760) 7.722 1.435 ( 0.525 7.667 0.760) 7.722 1.638 ( -6.070 6.358 1.953) 9.004 1.638 ( 6.070 6.358 1.953) 9.004 1.890 ( -2.683 7.316 -6.188) 9.950 1.890 ( 2.683 7.316 -6.188) 9.950 2.032 ( -3.932 3.894 2.399) 6.032 2.032 ( 3.932 3.894 2.399) 6.032 2.188 ( -5.319 7.211 -3.123) 9.489 2.188 ( 5.319 7.211 -3.123) 9.489 2.416 ( -6.770 16.402 6.463) 18.885 2.416 ( 6.770 16.402 6.463) 18.885 2.581 ( -3.577 4.960 5.367) 8.137 2.581 ( 3.577 4.960 5.367) 8.137 2.711 ( -8.415 3.011 1.977) 9.153 2.711 ( 8.415 3.011 1.977) 9.153 2.823 ( -3.467 1.686 -1.526) 4.146 2.823 ( 3.467 1.686 -1.526) 4.146 2.896 ( -0.748 8.208 -2.367) 8.575 2.896 ( 0.748 8.208 -2.367) 8.575 2.993 ( -1.525 -0.161 -1.820) 2.380 2.993 ( 1.525 -0.161 -1.820) 2.380 3.067 ( -2.756 3.928 -3.440) 5.904 3.067 ( 2.756 3.928 -3.440) 5.904 3.117 ( -0.776 3.714 -2.269) 4.421 3.117 ( 0.776 3.714 -2.269) 4.421 3.437 ( -1.398 1.779 -1.563) 2.750 3.437 ( 1.398 1.779 -1.563) 2.750 3.485 ( -4.061 1.798 0.570) 4.478 3.485 ( 4.061 1.798 0.570) 4.478 3.814 ( -3.038 -2.945 1.121) 4.378 3.814 ( 3.038 -2.945 1.121) 4.378 3.929 ( -0.490 1.032 -3.294) 3.487 3.929 ( 0.490 1.032 -3.294) 3.487 4.069 ( -3.024 2.901 3.010) 5.160 4.069 ( 3.024 2.901 3.010) 5.160 4.114 ( -2.237 2.114 -0.257) 3.089 4.114 ( 2.237 2.114 -0.257) 3.089 4.206 ( -4.200 4.497 1.622) 6.364 4.206 ( 4.200 4.497 1.622) 6.364 4.306 ( -1.415 6.056 -1.514) 6.400 4.306 ( 1.415 6.056 -1.514) 6.400 4.669 ( -6.338 -0.079 4.752) 7.922 4.669 ( 6.338 -0.079 4.752) 7.922 4.899 ( -3.871 -2.969 -5.926) 7.675 4.899 ( 3.871 -2.969 -5.926) 7.675 5.266 ( -1.489 -2.012 -0.415) 2.537 5.266 ( 1.489 -2.012 -0.415) 2.537 5.388 ( -1.960 -0.897 3.387) 4.014 5.388 ( 1.960 -0.897 3.387) 4.014 5.767 ( -0.340 14.693 0.023) 14.697 5.767 ( 0.340 14.693 0.023) 14.697 5.811 ( -0.395 10.056 -0.791) 10.095 5.811 ( 0.395 10.056 -0.791) 10.095 5.989 ( -1.546 8.163 1.251) 8.402 5.989 ( 1.546 8.163 1.251) 8.402 6.060 ( -4.314 9.804 -2.856) 11.085 6.060 ( 4.314 9.804 -2.856) 11.085 6.409 ( -0.729 4.018 1.254) 4.272 6.409 ( 0.729 4.018 1.254) 4.272 6.490 ( -1.399 0.631 -0.508) 1.617 6.490 ( 1.399 0.631 -0.508) 1.617 6.893 ( -7.455 3.665 4.085) 9.258 6.893 ( 7.455 3.665 4.085) 9.258 7.068 ( -8.057 -10.268 -2.739) 13.336 7.068 ( 8.057 -10.268 -2.739) 13.336 7.425 ( -4.849 -9.973 -0.057) 11.089 7.425 ( 4.849 -9.973 -0.057) 11.089 7.455 ( -2.453 -10.781 -1.176) 11.118 7.455 ( 2.453 -10.781 -1.176) 11.118 7.847 ( -3.209 -14.072 0.237) 14.435 7.847 ( 3.209 -14.072 0.237) 14.435 7.987 ( -2.510 -10.289 1.345) 10.676 7.987 ( 2.510 -10.289 1.345) 10.676 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 0.210 1.230) 1.247 0.881 ( 0.000 -1.578 -1.461) 2.150 1.117 ( 0.000 2.869 2.843) 4.038 1.240 ( 0.000 2.142 -3.720) 4.293 1.247 ( 0.000 4.176 -0.028) 4.176 1.283 ( 0.000 -3.739 -1.084) 3.893 1.325 ( 0.000 2.884 0.405) 2.913 1.354 ( 0.000 2.600 -0.286) 2.615 1.493 ( 0.000 9.877 -0.032) 9.877 1.520 ( 0.000 8.894 -1.521) 9.023 1.558 ( 0.000 7.318 1.310) 7.434 1.617 ( 0.000 8.148 -1.097) 8.222 1.627 ( 0.000 15.207 3.700) 15.651 1.816 ( 0.000 12.434 -5.845) 13.739 1.991 ( 0.000 8.627 2.324) 8.934 2.096 ( 0.000 9.738 -4.402) 10.686 2.155 ( 0.000 8.692 0.163) 8.693 2.189 ( 0.000 8.516 -1.799) 8.704 2.249 ( 0.000 5.959 1.102) 6.060 2.419 ( 0.000 4.641 -9.268) 10.365 2.485 ( 0.000 2.825 7.458) 7.975 2.562 ( 0.000 -0.456 -0.135) 0.475 2.689 ( 0.000 15.342 9.077) 17.827 2.752 ( 0.000 5.155 1.080) 5.267 2.804 ( 0.000 7.481 1.710) 7.674 2.807 ( 0.000 -0.305 4.052) 4.063 2.878 ( 0.000 2.400 4.504) 5.103 2.914 ( 0.000 2.900 4.784) 5.594 2.924 ( 0.000 3.262 6.701) 7.452 3.048 ( 0.000 -0.518 -0.061) 0.522 3.057 ( 0.000 -1.960 -1.217) 2.307 3.093 ( 0.000 3.306 -1.828) 3.778 3.116 ( 0.000 5.370 -4.484) 6.996 3.212 ( 0.000 5.658 -2.477) 6.177 3.244 ( 0.000 2.575 4.173) 4.904 3.341 ( 0.000 4.547 -1.018) 4.659 3.465 ( 0.000 -0.086 -3.776) 3.777 3.504 ( 0.000 13.458 -2.328) 13.658 3.721 ( 0.000 10.596 -4.130) 11.373 3.807 ( 0.000 3.758 -3.154) 4.907 3.814 ( 0.000 1.438 -5.561) 5.744 3.817 ( 0.000 4.584 -0.226) 4.590 3.897 ( 0.000 -2.271 -3.251) 3.966 3.926 ( 0.000 -1.818 -3.953) 4.351 3.989 ( 0.000 2.918 1.133) 3.130 4.058 ( 0.000 3.745 -2.222) 4.354 4.185 ( 0.000 2.370 0.799) 2.501 4.192 ( 0.000 5.755 0.949) 5.833 4.352 ( 0.000 1.254 2.219) 2.549 4.382 ( 0.000 3.583 2.153) 4.180 4.412 ( 0.000 1.035 0.747) 1.276 4.447 ( 0.000 4.767 7.918) 9.242 4.474 ( 0.000 5.532 -2.516) 6.078 4.671 ( 0.000 -3.184 -4.103) 5.193 4.813 ( 0.000 1.383 2.185) 2.586 4.908 ( 0.000 1.596 -2.026) 2.579 5.075 ( 0.000 -5.070 0.194) 5.074 5.122 ( 0.000 -0.514 -2.538) 2.589 5.371 ( 0.000 -1.229 4.458) 4.624 5.396 ( 0.000 -2.004 3.831) 4.323 5.829 ( 0.000 1.238 0.336) 1.283 5.844 ( 0.000 3.548 -0.273) 3.559 5.935 ( 0.000 1.350 0.163) 1.360 5.977 ( 0.000 3.112 -2.189) 3.805 6.048 ( 0.000 -1.180 0.733) 1.389 6.054 ( 0.000 2.573 0.279) 2.588 6.119 ( 0.000 3.444 1.463) 3.741 6.176 ( 0.000 -3.930 -1.080) 4.076 6.443 ( 0.000 1.308 0.772) 1.519 6.443 ( 0.000 4.018 -0.085) 4.019 6.486 ( 0.000 -3.109 4.408) 5.394 6.642 ( 0.000 -9.957 -1.973) 10.151 6.696 ( 0.000 0.994 1.650) 1.926 6.720 ( 0.000 -12.193 1.191) 12.251 6.955 ( 0.000 -12.748 1.930) 12.893 7.229 ( 0.000 4.020 -0.513) 4.053 7.236 ( 0.000 -14.992 -10.112) 18.083 7.288 ( 0.000 -5.816 -1.201) 5.939 7.347 ( 0.000 -8.763 -0.209) 8.766 7.355 ( 0.000 -4.925 3.520) 6.054 7.493 ( 0.000 -2.048 -4.779) 5.199 7.510 ( 0.000 -4.369 -7.978) 9.096 7.920 ( 0.000 -2.515 7.589) 7.995 8.001 ( 0.000 -3.317 3.995) 5.192 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 6.536 -1.045 0.872) 6.676 0.932 ( 4.734 -0.293 -0.858) 4.820 1.121 ( -0.964 0.461 3.806) 3.953 1.210 ( -0.343 7.048 -0.893) 7.113 1.224 ( -4.878 -1.070 -0.767) 5.052 1.283 ( 1.370 0.149 -3.156) 3.443 1.300 ( -1.923 3.837 0.508) 4.322 1.340 ( -1.254 2.934 -0.987) 3.340 1.462 ( -1.232 7.800 0.022) 7.896 1.500 ( -1.716 6.840 -1.749) 7.266 1.592 ( 2.087 8.624 1.347) 8.975 1.610 ( 0.461 10.165 1.494) 10.285 1.708 ( 5.250 11.641 1.510) 12.859 1.853 ( 2.041 10.784 -5.078) 12.093 1.980 ( -0.563 8.829 2.155) 9.106 2.094 ( -0.161 10.254 -4.749) 11.302 2.160 ( 1.035 10.186 -0.508) 10.252 2.209 ( 0.711 7.042 -2.902) 7.649 2.222 ( -2.913 5.569 2.029) 6.605 2.394 ( -3.493 2.792 -9.279) 10.300 2.501 ( 1.964 2.704 4.458) 5.571 2.539 ( 2.548 1.419 2.244) 3.680 2.725 ( 3.249 11.097 4.804) 12.521 2.760 ( -0.799 -0.879 -0.255) 1.214 2.796 ( -0.324 11.520 3.983) 12.193 2.810 ( -0.504 1.081 4.248) 4.412 2.852 ( -2.586 2.190 9.347) 9.942 2.910 ( -0.997 5.675 3.853) 6.932 2.922 ( 0.370 -0.241 3.588) 3.615 3.018 ( -1.697 2.640 -0.119) 3.141 3.058 ( -3.350 1.324 0.765) 3.683 3.089 ( 1.310 -1.753 0.405) 2.226 3.130 ( -3.441 6.855 -3.264) 8.335 3.140 ( -2.006 1.147 0.668) 2.405 3.223 ( 0.250 8.258 -1.841) 8.464 3.338 ( -1.686 6.616 0.834) 6.878 3.432 ( 2.488 3.991 -2.454) 5.304 3.562 ( 2.036 11.616 -5.103) 12.850 3.660 ( -5.187 6.646 -3.132) 8.994 3.724 ( -5.807 6.107 -3.163) 9.001 3.808 ( -0.852 2.965 -3.059) 4.344 3.823 ( -0.447 3.848 -5.008) 6.331 3.915 ( 1.059 -0.581 -2.943) 3.181 3.942 ( 0.903 0.585 -3.284) 3.456 4.042 ( 4.985 3.521 0.549) 6.128 4.083 ( 2.710 2.942 -1.276) 4.198 4.149 ( -1.176 2.825 2.228) 3.785 4.175 ( -1.409 2.453 1.408) 3.160 4.337 ( -0.726 4.905 0.876) 5.035 4.356 ( -3.613 1.941 2.002) 4.564 4.405 ( -0.234 2.250 1.677) 2.816 4.454 ( -2.457 6.339 -1.296) 6.921 4.551 ( 7.610 3.182 4.895) 9.592 4.725 ( 4.142 -3.005 -3.162) 6.015 4.777 ( -2.536 0.750 1.754) 3.173 4.889 ( -1.694 -2.569 -2.724) 4.110 5.146 ( 5.258 -2.877 -0.238) 5.998 5.172 ( 3.686 -1.606 -1.796) 4.404 5.364 ( -0.489 -1.269 4.682) 4.876 5.388 ( -0.861 -2.095 4.044) 4.635 5.862 ( 2.798 1.208 0.151) 3.052 5.879 ( 2.666 3.085 -0.400) 4.097 5.956 ( 1.366 2.048 -0.603) 2.534 5.977 ( -0.154 3.795 -1.960) 4.274 6.052 ( 0.763 0.462 1.476) 1.725 6.075 ( 1.225 0.241 1.000) 1.600 6.131 ( 1.386 3.015 1.127) 3.505 6.183 ( 0.412 -3.153 -1.152) 3.382 6.424 ( -1.283 0.025 1.509) 1.981 6.446 ( -0.974 -1.532 2.717) 3.268 6.471 ( 0.261 1.205 0.239) 1.256 6.598 ( -3.248 -4.286 -2.007) 5.739 6.735 ( 1.635 -12.459 1.077) 12.612 6.739 ( 2.924 -4.524 0.843) 5.452 6.925 ( -2.356 -9.766 0.761) 10.075 7.102 ( -9.245 -7.427 -5.013) 12.875 7.191 ( -2.394 -1.846 0.145) 3.027 7.261 ( -0.407 -9.856 -4.374) 10.790 7.298 ( -1.744 -10.418 0.337) 10.568 7.430 ( -3.758 1.728 -3.617) 5.495 7.516 ( 5.593 -9.605 -1.553) 11.223 7.594 ( 6.163 -0.708 -3.102) 6.936 7.867 ( -2.398 -2.165 8.614) 9.200 7.991 ( -2.412 -1.704 1.408) 3.272 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.900 -1.557 0.732) 3.372 1.017 ( 2.900 -1.557 0.732) 3.372 1.099 ( -5.127 0.976 0.802) 5.280 1.099 ( 5.127 0.976 0.802) 5.280 1.247 ( -2.734 5.742 -0.098) 6.360 1.247 ( 2.734 5.742 -0.098) 6.360 1.313 ( -1.225 1.414 -1.625) 2.478 1.313 ( 1.225 1.414 -1.625) 2.478 1.465 ( -1.329 6.557 -0.989) 6.763 1.465 ( 1.329 6.557 -0.989) 6.763 1.619 ( -0.259 9.048 1.263) 9.139 1.619 ( 0.259 9.048 1.263) 9.139 1.812 ( -4.702 10.745 0.772) 11.754 1.812 ( 4.702 10.745 0.772) 11.754 2.042 ( -5.201 8.347 -1.997) 10.036 2.042 ( 5.201 8.347 -1.997) 10.036 2.177 ( -1.029 9.982 -0.242) 10.038 2.177 ( 1.029 9.982 -0.242) 10.038 2.269 ( -6.290 2.957 -6.915) 9.804 2.269 ( 6.290 2.957 -6.915) 9.804 2.602 ( -2.509 1.680 1.268) 3.275 2.602 ( 2.509 1.680 1.268) 3.275 2.724 ( -0.053 2.217 5.363) 5.803 2.724 ( 0.053 2.217 5.363) 5.803 2.802 ( -2.242 2.966 3.562) 5.148 2.802 ( 2.242 2.966 3.562) 5.148 2.861 ( -3.693 8.067 4.062) 9.758 2.861 ( 3.693 8.067 4.062) 9.758 2.947 ( -3.773 -0.547 2.289) 4.447 2.947 ( 3.773 -0.547 2.289) 4.447 3.017 ( -1.268 5.835 1.998) 6.296 3.017 ( 1.268 5.835 1.998) 6.296 3.147 ( -1.917 0.525 -1.548) 2.519 3.147 ( 1.917 0.525 -1.548) 2.519 3.268 ( -4.113 10.325 0.696) 11.136 3.268 ( 4.113 10.325 0.696) 11.136 3.539 ( -5.993 4.498 -3.100) 8.109 3.539 ( 5.993 4.498 -3.100) 8.109 3.614 ( -3.790 10.132 -4.947) 11.895 3.614 ( 3.790 10.132 -4.947) 11.895 3.805 ( -0.571 3.244 -4.326) 5.438 3.805 ( 0.571 3.244 -4.326) 5.438 3.937 ( -0.894 1.298 -2.688) 3.116 3.937 ( 0.894 1.298 -2.688) 3.116 4.131 ( -2.193 3.115 1.391) 4.055 4.131 ( 2.193 3.115 1.391) 4.055 4.148 ( -1.983 1.874 0.241) 2.740 4.148 ( 1.983 1.874 0.241) 2.740 4.309 ( -1.425 5.044 2.066) 5.634 4.309 ( 1.425 5.044 2.066) 5.634 4.407 ( -1.354 3.506 -0.694) 3.822 4.407 ( 1.354 3.506 -0.694) 3.822 4.687 ( -5.165 2.074 3.509) 6.580 4.687 ( 5.165 2.074 3.509) 6.580 4.831 ( -4.120 -4.039 -3.027) 6.516 4.831 ( 4.120 -4.039 -3.027) 6.516 5.218 ( -0.498 -2.661 -1.629) 3.159 5.218 ( 0.498 -2.661 -1.629) 3.159 5.364 ( -0.891 -1.624 5.027) 5.357 5.364 ( 0.891 -1.624 5.027) 5.357 5.910 ( -0.698 1.219 -0.681) 1.561 5.910 ( 0.698 1.219 -0.681) 1.561 5.970 ( -0.297 4.548 -1.222) 4.719 5.970 ( 0.297 4.548 -1.222) 4.719 6.077 ( -1.119 0.176 2.131) 2.413 6.077 ( 1.119 0.176 2.131) 2.413 6.172 ( -1.763 0.294 0.037) 1.788 6.172 ( 1.763 0.294 0.037) 1.788 6.414 ( -0.919 -3.498 2.463) 4.375 6.414 ( 0.919 -3.498 2.463) 4.375 6.521 ( -3.791 0.620 -2.250) 4.452 6.521 ( 3.791 0.620 -2.250) 4.452 6.771 ( -1.129 -11.168 1.017) 11.271 6.771 ( 1.129 -11.168 1.017) 11.271 6.935 ( -5.358 -5.429 -2.563) 8.047 6.935 ( 5.358 -5.429 -2.563) 8.047 7.200 ( -2.958 -8.059 0.885) 8.630 7.200 ( 2.958 -8.059 0.885) 8.630 7.334 ( -3.902 -4.631 -5.042) 7.880 7.334 ( 3.902 -4.631 -5.042) 7.880 7.625 ( -3.417 -4.414 2.050) 5.946 7.625 ( 3.417 -4.414 2.050) 5.946 7.902 ( -5.084 -0.220 1.957) 5.452 7.902 ( 5.084 -0.220 1.957) 5.452 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 -1.936 0.863) 2.120 0.839 ( 0.000 -2.526 -1.150) 2.775 1.112 ( 0.000 -1.590 2.496) 2.959 1.196 ( 0.000 -3.898 -1.152) 4.065 1.285 ( 0.000 1.196 0.306) 1.234 1.335 ( 0.000 3.253 -1.300) 3.504 1.369 ( 0.000 1.429 0.580) 1.542 1.394 ( 0.000 1.390 -0.272) 1.416 1.664 ( 0.000 4.928 1.244) 5.082 1.675 ( 0.000 8.275 0.226) 8.278 1.705 ( 0.000 8.019 0.018) 8.019 1.752 ( 0.000 5.555 -1.754) 5.825 1.949 ( 0.000 16.490 2.561) 16.688 2.073 ( 0.000 12.945 -2.643) 13.212 2.192 ( 0.000 11.662 -0.790) 11.689 2.232 ( 0.000 5.738 -4.406) 7.235 2.338 ( 0.000 8.721 -0.329) 8.728 2.368 ( 0.000 6.146 -0.003) 6.146 2.422 ( 0.000 12.783 -1.844) 12.916 2.484 ( 0.000 1.931 -6.059) 6.359 2.549 ( 0.000 3.847 6.407) 7.473 2.586 ( 0.000 4.643 1.329) 4.830 2.690 ( 0.000 -3.767 2.284) 4.406 2.706 ( 0.000 -4.681 0.198) 4.685 2.772 ( 0.000 -2.376 4.346) 4.953 2.884 ( 0.000 -0.145 0.133) 0.197 2.914 ( 0.000 -1.419 -0.988) 1.730 2.960 ( 0.000 -2.199 -0.598) 2.279 3.004 ( 0.000 0.673 8.072) 8.100 3.114 ( 0.000 0.637 2.459) 2.540 3.133 ( 0.000 -0.843 -1.850) 2.033 3.154 ( 0.000 0.592 -1.441) 1.558 3.206 ( 0.000 9.110 4.459) 10.143 3.236 ( 0.000 7.618 -1.607) 7.785 3.405 ( 0.000 9.860 4.489) 10.834 3.414 ( 0.000 5.818 2.039) 6.165 3.487 ( 0.000 2.513 -2.211) 3.347 3.649 ( 0.000 -4.454 -6.099) 7.553 3.801 ( 0.000 1.159 -0.800) 1.409 3.832 ( 0.000 -2.097 -4.163) 4.662 3.842 ( 0.000 -0.542 -0.659) 0.853 3.847 ( 0.000 0.469 -0.780) 0.910 4.001 ( 0.000 6.075 -4.085) 7.321 4.048 ( 0.000 12.729 -8.694) 15.415 4.081 ( 0.000 7.329 -0.213) 7.332 4.137 ( 0.000 4.457 -2.265) 5.000 4.222 ( 0.000 1.723 3.455) 3.860 4.310 ( 0.000 2.012 4.560) 4.984 4.343 ( 0.000 1.751 -2.630) 3.159 4.438 ( 0.000 2.202 1.890) 2.902 4.458 ( 0.000 2.860 0.701) 2.944 4.495 ( 0.000 -2.523 -2.494) 3.548 4.539 ( 0.000 4.425 5.022) 6.694 4.604 ( 0.000 -2.664 -0.652) 2.743 4.863 ( 0.000 3.223 2.072) 3.832 4.928 ( 0.000 0.050 -1.038) 1.039 5.012 ( 0.000 -0.717 2.544) 2.643 5.117 ( 0.000 -0.061 -3.098) 3.098 5.333 ( 0.000 -2.803 3.755) 4.686 5.339 ( 0.000 -4.120 4.007) 5.748 5.825 ( 0.000 -0.649 0.875) 1.089 5.872 ( 0.000 0.462 -1.283) 1.364 5.891 ( 0.000 -3.667 1.531) 3.974 5.962 ( 0.000 -5.462 -0.444) 5.480 5.988 ( 0.000 -2.230 -0.467) 2.279 6.014 ( 0.000 -6.357 -0.224) 6.361 6.079 ( 0.000 -5.151 -0.157) 5.153 6.105 ( 0.000 -3.735 -1.271) 3.945 6.319 ( 0.000 -8.432 0.867) 8.476 6.392 ( 0.000 -9.548 -2.243) 9.807 6.436 ( 0.000 -2.471 1.323) 2.803 6.457 ( 0.000 -3.384 2.109) 3.987 6.599 ( 0.000 -11.256 0.128) 11.257 6.627 ( 0.000 -7.346 -1.776) 7.557 6.686 ( 0.000 -6.396 6.290) 8.971 6.991 ( 0.000 -11.211 -6.204) 12.814 7.161 ( 0.000 1.098 -1.489) 1.850 7.230 ( 0.000 -2.032 -1.648) 2.617 7.351 ( 0.000 2.551 -0.313) 2.570 7.371 ( 0.000 5.482 -1.389) 5.656 7.561 ( 0.000 6.004 -4.185) 7.319 7.574 ( 0.000 6.469 -6.317) 9.042 7.902 ( 0.000 -0.679 7.041) 7.074 7.930 ( 0.000 -3.793 5.294) 6.513 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 4.846 -2.930 1.085) 5.766 0.911 ( 5.780 -1.793 -2.024) 6.381 1.093 ( -1.821 -2.302 3.472) 4.546 1.188 ( -2.025 -2.463 -0.619) 3.248 1.290 ( 1.329 0.736 -0.641) 1.649 1.317 ( -1.040 3.053 -1.146) 3.423 1.351 ( -1.583 1.373 0.696) 2.208 1.386 ( -1.048 1.409 -0.649) 1.872 1.619 ( -1.930 7.228 -0.424) 7.494 1.641 ( -2.264 7.511 -0.696) 7.875 1.748 ( 2.173 6.959 1.077) 7.370 1.775 ( 0.976 6.453 0.172) 6.528 1.969 ( 2.242 14.080 1.975) 14.394 2.088 ( 0.555 12.148 -3.464) 12.645 2.177 ( -0.841 10.790 0.930) 10.863 2.247 ( 1.382 6.128 -4.726) 7.861 2.329 ( -4.428 6.836 -0.009) 8.145 2.379 ( 3.548 9.607 0.513) 10.254 2.421 ( -2.210 8.753 -3.113) 9.549 2.431 ( -2.530 5.863 -4.628) 7.887 2.570 ( 1.772 4.358 4.470) 6.489 2.581 ( 1.966 3.738 0.801) 4.299 2.692 ( 0.909 -3.151 1.819) 3.751 2.726 ( 1.226 -2.945 -0.548) 3.237 2.781 ( 1.158 -3.121 4.901) 5.924 2.870 ( -6.364 -0.930 7.846) 10.145 2.889 ( -2.890 -0.958 1.798) 3.536 2.929 ( 1.470 -0.166 -0.565) 1.584 2.991 ( -6.722 -1.377 1.169) 6.960 3.011 ( 3.469 -3.495 -1.433) 5.128 3.085 ( -3.997 0.612 0.349) 4.059 3.192 ( -1.278 3.277 -2.086) 4.090 3.246 ( 1.386 6.991 -0.616) 7.154 3.299 ( 1.910 10.950 2.205) 11.332 3.344 ( -0.907 5.338 2.837) 6.113 3.421 ( 0.850 6.545 3.824) 7.627 3.524 ( 3.698 4.113 -1.815) 5.821 3.626 ( -2.511 -3.646 -1.405) 4.645 3.758 ( -1.921 -1.282 -6.034) 6.461 3.785 ( -2.011 -0.844 -5.378) 5.803 3.886 ( 0.916 5.369 0.743) 5.497 3.896 ( 1.580 4.648 0.057) 4.909 4.036 ( 1.401 9.745 -5.268) 11.166 4.076 ( 2.670 7.884 -6.848) 10.779 4.102 ( 3.526 4.237 0.191) 5.516 4.153 ( 1.281 3.650 -2.001) 4.355 4.200 ( -1.517 2.650 2.846) 4.174 4.242 ( -3.759 5.186 1.667) 6.618 4.356 ( 1.949 -2.836 1.144) 3.626 4.387 ( -2.468 1.562 2.015) 3.548 4.461 ( -1.565 2.753 0.395) 3.192 4.490 ( -1.746 -3.178 -0.753) 3.704 4.639 ( 6.986 5.413 2.133) 9.092 4.664 ( 4.371 -1.838 0.345) 4.754 4.828 ( -2.821 3.225 1.146) 4.435 4.845 ( -4.655 -0.230 0.626) 4.703 5.102 ( 5.073 -1.566 0.124) 5.311 5.143 ( 2.096 -1.288 -2.339) 3.394 5.320 ( -0.961 -3.664 4.219) 5.670 5.330 ( -0.827 -3.723 3.954) 5.494 5.851 ( 2.224 -1.352 0.822) 2.730 5.892 ( 1.304 -0.778 -0.516) 1.604 5.912 ( 1.878 -4.049 0.976) 4.568 5.981 ( 1.523 -5.524 0.653) 5.767 5.991 ( -0.619 -3.845 -1.398) 4.138 6.018 ( 1.255 -3.928 -0.670) 4.177 6.072 ( -0.508 -6.420 0.150) 6.442 6.108 ( 0.008 -4.405 -1.329) 4.601 6.314 ( -0.299 -7.299 1.128) 7.391 6.369 ( -2.417 -6.404 -0.057) 6.846 6.429 ( 0.075 -7.896 1.284) 8.000 6.457 ( -0.075 -2.385 -0.776) 2.509 6.592 ( -0.291 -10.169 0.443) 10.183 6.639 ( -0.093 -4.804 1.138) 4.938 6.692 ( 1.738 -8.401 2.234) 8.865 6.925 ( -6.205 -9.889 -4.700) 12.585 7.159 ( -0.850 0.880 -1.801) 2.177 7.181 ( -0.569 1.069 -1.884) 2.240 7.285 ( -4.466 5.388 -1.348) 7.126 7.383 ( -2.171 -1.346 -6.553) 7.033 7.570 ( 2.711 6.931 0.921) 7.499 7.653 ( 4.275 4.506 -1.970) 6.517 7.866 ( -0.547 0.523 7.330) 7.369 7.954 ( -0.134 -2.253 2.005) 3.018 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.939 -3.362 -0.051) 5.179 0.958 ( 3.939 -3.362 -0.051) 5.179 1.103 ( -4.862 -0.867 1.051) 5.049 1.103 ( 4.862 -0.867 1.051) 5.049 1.315 ( -1.403 1.089 0.034) 1.776 1.315 ( 1.403 1.089 0.034) 1.776 1.346 ( -2.619 1.626 -1.019) 3.247 1.346 ( 2.619 1.626 -1.019) 3.247 1.607 ( -0.752 7.666 -1.253) 7.804 1.607 ( 0.752 7.666 -1.253) 7.804 1.778 ( -0.656 6.920 1.480) 7.107 1.778 ( 0.656 6.920 1.480) 7.107 2.040 ( -4.134 11.696 0.520) 12.416 2.040 ( 4.134 11.696 0.520) 12.416 2.223 ( -4.628 9.515 -0.647) 10.600 2.223 ( 4.628 9.515 -0.647) 10.600 2.308 ( -4.459 3.634 -5.740) 8.126 2.308 ( 4.459 3.634 -5.740) 8.126 2.429 ( -0.701 12.523 -0.603) 12.557 2.429 ( 0.701 12.523 -0.603) 12.557 2.630 ( -1.743 1.984 0.457) 2.680 2.630 ( 1.743 1.984 0.457) 2.680 2.723 ( -3.467 -1.375 7.077) 7.999 2.723 ( 3.467 -1.375 7.077) 7.999 2.776 ( -3.507 -2.201 2.064) 4.626 2.776 ( 3.507 -2.201 2.064) 4.626 2.870 ( -1.084 -2.376 1.090) 2.830 2.870 ( 1.084 -2.376 1.090) 2.830 2.994 ( -4.377 1.032 0.821) 4.571 2.994 ( 4.377 1.032 0.821) 4.571 3.118 ( -5.505 -2.894 -3.347) 7.062 3.118 ( 5.505 -2.894 -3.347) 7.062 3.259 ( -1.346 11.317 1.361) 11.478 3.259 ( 1.346 11.317 1.361) 11.478 3.416 ( -2.590 4.762 3.801) 6.620 3.416 ( 2.590 4.762 3.801) 6.620 3.581 ( -1.517 2.403 -0.470) 2.880 3.581 ( 1.517 2.403 -0.470) 2.880 3.752 ( -1.111 -0.035 -7.213) 7.299 3.752 ( 1.111 -0.035 -7.213) 7.299 3.894 ( -0.958 6.752 0.319) 6.827 3.894 ( 0.958 6.752 0.319) 6.827 4.068 ( -1.817 9.451 -5.479) 11.074 4.068 ( 1.817 9.451 -5.479) 11.074 4.181 ( -0.733 2.105 1.569) 2.726 4.181 ( 0.733 2.105 1.569) 2.726 4.192 ( -1.042 2.607 0.437) 2.841 4.192 ( 1.042 2.607 0.437) 2.841 4.392 ( -3.982 1.666 0.381) 4.333 4.392 ( 3.982 1.666 0.381) 4.333 4.423 ( -3.505 -0.864 0.615) 3.662 4.423 ( 3.505 -0.864 0.615) 3.662 4.751 ( -1.960 0.125 0.665) 2.073 4.751 ( 1.960 0.125 0.665) 2.073 4.763 ( -2.015 2.426 1.397) 3.449 4.763 ( 2.015 2.426 1.397) 3.449 5.168 ( -0.767 -2.322 -1.863) 3.074 5.168 ( 0.767 -2.322 -1.863) 3.074 5.312 ( -0.522 -3.956 4.670) 6.143 5.312 ( 0.522 -3.956 4.670) 6.143 5.894 ( -1.311 -2.344 0.636) 2.760 5.894 ( 1.311 -2.344 0.636) 2.760 5.958 ( -2.188 -4.505 -0.493) 5.032 5.958 ( 2.188 -4.505 -0.493) 5.032 6.020 ( -1.716 -3.856 0.216) 4.226 6.020 ( 1.716 -3.856 0.216) 4.226 6.088 ( -1.878 -6.491 -0.978) 6.827 6.088 ( 1.878 -6.491 -0.978) 6.827 6.321 ( -1.448 -5.502 1.825) 5.975 6.321 ( 1.448 -5.502 1.825) 5.975 6.445 ( -1.073 -6.942 -1.502) 7.184 6.445 ( 1.073 -6.942 -1.502) 7.184 6.607 ( -1.843 -6.262 2.312) 6.925 6.607 ( 1.843 -6.262 2.312) 6.925 6.782 ( -6.436 -8.183 -2.518) 10.711 6.782 ( 6.436 -8.183 -2.518) 10.711 7.162 ( -1.652 2.624 -0.647) 3.167 7.162 ( 1.652 2.624 -0.647) 3.167 7.288 ( -4.459 0.809 -5.905) 7.443 7.288 ( 4.459 0.809 -5.905) 7.443 7.655 ( -3.520 4.394 3.457) 6.607 7.655 ( 3.520 4.394 3.457) 6.607 7.911 ( -3.550 0.247 1.630) 3.914 7.911 ( 3.550 0.247 1.630) 3.914 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 -1.729 0.583) 1.824 0.786 ( 0.000 -2.561 -0.765) 2.673 1.077 ( 0.000 -1.604 1.369) 2.108 1.123 ( 0.000 -3.329 -0.708) 3.403 1.297 ( 0.000 0.287 1.302) 1.334 1.364 ( 0.000 -0.236 -1.562) 1.580 1.383 ( 0.000 0.156 0.563) 0.585 1.406 ( 0.000 -0.138 -0.420) 0.442 1.745 ( 0.000 3.637 3.095) 4.775 1.816 ( 0.000 5.858 -0.049) 5.858 1.834 ( 0.000 2.569 -0.998) 2.756 1.846 ( 0.000 5.708 -0.733) 5.755 2.263 ( 0.000 14.679 1.963) 14.809 2.309 ( 0.000 10.440 -0.734) 10.466 2.347 ( 0.000 6.010 -2.718) 6.596 2.432 ( 0.000 6.526 -3.659) 7.481 2.471 ( 0.000 9.873 -1.068) 9.931 2.479 ( 0.000 4.193 0.178) 4.196 2.537 ( 0.000 4.470 -0.177) 4.473 2.586 ( 0.000 0.328 1.887) 1.915 2.614 ( 0.000 1.111 -2.297) 2.551 2.624 ( 0.000 -2.365 1.578) 2.843 2.657 ( 0.000 2.352 2.568) 3.482 2.748 ( 0.000 10.610 -0.130) 10.611 2.811 ( 0.000 8.883 2.623) 9.262 2.851 ( 0.000 -6.087 1.407) 6.247 2.901 ( 0.000 0.212 -0.645) 0.679 2.914 ( 0.000 1.853 -1.449) 2.352 2.974 ( 0.000 -3.774 1.295) 3.990 3.027 ( 0.000 -5.016 5.512) 7.453 3.045 ( 0.000 -6.359 -0.621) 6.389 3.149 ( 0.000 -0.735 0.818) 1.100 3.308 ( 0.000 -2.114 -6.426) 6.765 3.346 ( 0.000 1.813 -1.145) 2.144 3.430 ( 0.000 -4.924 -4.323) 6.552 3.523 ( 0.000 0.745 -1.036) 1.276 3.642 ( 0.000 1.726 3.069) 3.521 3.655 ( 0.000 12.057 4.275) 12.793 3.694 ( 0.000 -2.866 1.508) 3.238 3.765 ( 0.000 -4.411 -3.596) 5.691 3.801 ( 0.000 -4.136 1.059) 4.270 3.833 ( 0.000 -2.660 -0.676) 2.745 4.086 ( 0.000 3.240 1.117) 3.427 4.178 ( 0.000 -0.354 -0.598) 0.695 4.201 ( 0.000 -4.582 1.983) 4.993 4.204 ( 0.000 -0.196 0.245) 0.314 4.240 ( 0.000 3.334 -0.827) 3.435 4.311 ( 0.000 6.080 -7.510) 9.663 4.347 ( 0.000 -7.072 2.536) 7.513 4.392 ( 0.000 1.515 -0.739) 1.685 4.517 ( 0.000 2.817 3.162) 4.235 4.557 ( 0.000 3.580 0.238) 3.588 4.644 ( 0.000 7.612 0.100) 7.612 4.677 ( 0.000 10.755 -0.761) 10.782 4.925 ( 0.000 0.484 -0.212) 0.528 4.930 ( 0.000 3.592 -0.341) 3.608 5.023 ( 0.000 0.610 2.194) 2.278 5.115 ( 0.000 -0.348 -2.026) 2.055 5.229 ( 0.000 -6.981 2.290) 7.347 5.252 ( 0.000 -5.522 1.404) 5.697 5.815 ( 0.000 -0.127 0.150) 0.196 5.854 ( 0.000 -3.179 -1.811) 3.658 5.863 ( 0.000 -1.292 1.401) 1.905 5.886 ( 0.000 -2.661 1.308) 2.965 5.901 ( 0.000 -0.717 -0.048) 0.718 5.923 ( 0.000 -1.794 -0.487) 1.859 5.979 ( 0.000 -4.683 0.445) 4.704 6.008 ( 0.000 -5.162 -0.759) 5.217 6.195 ( 0.000 -3.866 0.639) 3.918 6.250 ( 0.000 -5.336 -1.429) 5.524 6.350 ( 0.000 -6.172 0.827) 6.227 6.360 ( 0.000 -8.274 0.887) 8.321 6.406 ( 0.000 -2.458 -1.492) 2.876 6.490 ( 0.000 -5.470 -3.713) 6.611 6.613 ( 0.000 -2.491 5.517) 6.053 6.793 ( 0.000 -8.387 -2.720) 8.817 7.244 ( 0.000 2.174 -0.355) 2.203 7.271 ( 0.000 7.187 -2.222) 7.523 7.378 ( 0.000 -0.220 1.447) 1.464 7.449 ( 0.000 2.255 -1.871) 2.930 7.668 ( 0.000 4.304 -2.856) 5.165 7.691 ( 0.000 4.789 -3.877) 6.161 7.860 ( 0.000 -2.989 4.749) 5.611 7.871 ( 0.000 -2.404 4.078) 4.734 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 4.579 -1.551 1.088) 4.956 0.869 ( 6.070 -2.224 -2.280) 6.855 1.048 ( -2.190 -1.930 2.685) 3.966 1.129 ( -0.860 -3.390 -1.159) 3.685 1.296 ( 0.425 0.108 0.774) 0.889 1.345 ( -1.173 -0.098 -1.178) 1.665 1.362 ( -1.780 -0.007 0.747) 1.931 1.394 ( -1.311 -0.476 -0.651) 1.540 1.743 ( 0.189 5.564 1.407) 5.743 1.788 ( -1.739 6.664 -0.933) 6.950 1.854 ( 2.003 3.488 0.729) 4.087 1.879 ( 1.463 4.208 0.407) 4.473 2.239 ( -1.035 12.467 1.152) 12.563 2.297 ( -0.478 8.156 -2.022) 8.417 2.369 ( 0.243 6.212 -1.989) 6.527 2.404 ( -3.174 11.384 -0.131) 11.819 2.441 ( -0.881 4.826 -0.873) 4.983 2.487 ( -3.232 5.139 -1.992) 6.389 2.548 ( 3.335 6.173 0.434) 7.030 2.589 ( 1.170 2.348 -2.133) 3.381 2.626 ( 1.334 -2.197 0.674) 2.657 2.645 ( 2.203 -0.207 3.194) 3.885 2.694 ( 4.014 0.443 1.728) 4.392 2.755 ( -0.252 10.233 0.467) 10.247 2.770 ( -1.692 6.499 1.715) 6.931 2.813 ( -4.973 -3.314 6.370) 8.735 2.886 ( -2.005 0.028 -0.237) 2.019 2.925 ( -5.347 -2.207 0.707) 5.828 2.937 ( 1.594 1.038 -1.329) 2.320 2.946 ( 1.043 -2.779 -2.423) 3.831 3.060 ( -1.986 -3.076 -0.228) 3.668 3.172 ( -4.029 -3.831 -3.357) 6.494 3.211 ( -0.073 -4.903 0.053) 4.904 3.365 ( -4.455 -6.625 -4.336) 9.085 3.486 ( 6.214 5.022 1.356) 8.103 3.564 ( 3.305 -0.686 -0.413) 3.401 3.600 ( -2.449 1.083 1.517) 3.078 3.651 ( 0.410 6.449 3.306) 7.258 3.670 ( 0.717 2.303 -0.302) 2.431 3.738 ( -1.124 -1.986 -3.586) 4.250 3.924 ( 7.023 -1.665 1.828) 7.446 3.952 ( 6.117 -0.318 1.112) 6.225 4.096 ( 1.964 0.470 0.480) 2.076 4.137 ( -1.468 -0.113 0.549) 1.571 4.228 ( 0.442 0.431 0.829) 1.033 4.242 ( 1.458 -3.237 1.235) 3.759 4.258 ( 2.631 3.925 -2.061) 5.155 4.301 ( -1.722 4.616 -4.833) 6.901 4.320 ( -4.754 0.393 -0.469) 4.793 4.351 ( -0.449 -3.083 -0.656) 3.184 4.457 ( -2.166 3.017 1.667) 4.071 4.520 ( -2.613 3.156 -0.759) 4.167 4.692 ( 3.695 5.225 2.493) 6.868 4.772 ( 5.652 7.968 -1.300) 9.855 4.858 ( -4.508 2.293 1.750) 5.352 4.915 ( -1.508 4.311 -0.630) 4.610 5.076 ( 3.211 -1.539 0.527) 3.600 5.122 ( 0.672 -1.077 -1.509) 1.972 5.209 ( -1.352 -6.998 2.595) 7.585 5.243 ( -1.049 -5.491 0.848) 5.655 5.825 ( 0.831 -0.895 0.526) 1.330 5.853 ( -0.280 -2.096 0.683) 2.223 5.875 ( 0.890 -3.316 0.153) 3.437 5.887 ( 0.184 -1.794 0.106) 1.806 5.908 ( 0.662 -0.533 0.005) 0.850 5.934 ( 0.898 -3.876 -0.438) 4.003 5.976 ( -0.129 -3.833 -0.216) 3.842 6.007 ( -0.258 -5.020 -1.060) 5.137 6.195 ( 0.103 -4.240 1.101) 4.382 6.257 ( 0.034 -4.907 -1.214) 5.055 6.276 ( -2.911 -6.801 0.885) 7.451 6.352 ( -2.652 -7.714 -2.118) 8.428 6.448 ( 3.644 -2.626 1.260) 4.665 6.541 ( 3.986 -4.728 -2.880) 6.821 6.589 ( -2.192 -2.708 4.688) 5.840 6.750 ( -4.052 -7.371 -2.649) 8.819 7.217 ( -0.850 3.325 0.401) 3.456 7.264 ( -0.484 5.689 -2.113) 6.089 7.369 ( -1.994 -1.021 -1.613) 2.760 7.373 ( -5.127 2.997 -1.679) 6.171 7.687 ( 2.064 4.584 0.285) 5.035 7.737 ( 2.598 3.734 -1.732) 4.868 7.864 ( 1.015 -0.786 3.734) 3.949 7.899 ( 1.293 -3.218 1.857) 3.934 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -4.178 -1.130 -0.303) 4.339 0.909 ( 4.178 -1.130 -0.303) 4.339 1.062 ( -4.668 -3.195 0.394) 5.670 1.062 ( 4.668 -3.195 0.394) 5.670 1.319 ( -1.645 -0.156 0.459) 1.715 1.319 ( 1.645 -0.156 0.459) 1.715 1.357 ( -1.820 -0.496 -0.692) 2.009 1.357 ( 1.820 -0.496 -0.692) 2.009 1.758 ( -1.145 7.194 -0.472) 7.300 1.758 ( 1.145 7.194 -0.472) 7.300 1.888 ( -0.795 3.997 1.410) 4.312 1.888 ( 0.795 3.997 1.410) 4.312 2.255 ( -2.912 9.563 -0.279) 10.000 2.255 ( 2.912 9.563 -0.279) 10.000 2.377 ( -3.395 5.165 -0.959) 6.255 2.377 ( 3.395 5.165 -0.959) 6.255 2.421 ( -0.641 8.502 -1.734) 8.701 2.421 ( 0.641 8.502 -1.734) 8.701 2.609 ( -1.287 0.790 -1.239) 1.953 2.609 ( 1.287 0.790 -1.239) 1.953 2.681 ( -3.417 -0.458 5.568) 6.549 2.681 ( 3.417 -0.458 5.568) 6.549 2.715 ( -1.427 3.784 2.665) 4.843 2.715 ( 1.427 3.784 2.665) 4.843 2.775 ( -2.635 5.504 -1.040) 6.190 2.775 ( 2.635 5.504 -1.040) 6.190 2.846 ( -2.936 1.464 1.090) 3.457 2.846 ( 2.936 1.464 1.090) 3.457 2.982 ( -1.804 -2.138 -2.444) 3.715 2.982 ( 1.804 -2.138 -2.444) 3.715 3.041 ( -4.612 -4.034 -2.761) 6.721 3.041 ( 4.612 -4.034 -2.761) 6.721 3.270 ( -4.044 -6.217 -0.281) 7.422 3.270 ( 4.044 -6.217 -0.281) 7.422 3.558 ( -1.863 1.853 -0.007) 2.628 3.558 ( 1.863 1.853 -0.007) 2.628 3.639 ( -2.527 3.675 1.583) 4.733 3.639 ( 2.527 3.675 1.583) 4.733 3.711 ( -1.918 0.647 -1.444) 2.487 3.711 ( 1.918 0.647 -1.444) 2.487 4.003 ( -0.332 2.973 2.002) 3.600 4.003 ( 0.332 2.973 2.002) 3.600 4.150 ( -2.455 -0.218 1.651) 2.967 4.150 ( 2.455 -0.218 1.651) 2.967 4.213 ( -2.936 -0.647 -0.863) 3.128 4.213 ( 2.936 -0.647 -0.863) 3.128 4.274 ( -0.605 0.756 -1.724) 1.977 4.274 ( 0.605 0.756 -1.724) 1.977 4.323 ( -2.581 0.723 -1.822) 3.241 4.323 ( 2.581 0.723 -1.822) 3.241 4.466 ( -2.344 2.134 -0.480) 3.206 4.466 ( 2.344 2.134 -0.480) 3.206 4.769 ( -3.858 3.782 3.000) 6.180 4.769 ( 3.858 3.782 3.000) 6.180 4.867 ( -3.288 5.551 -1.108) 6.546 4.867 ( 3.288 5.551 -1.108) 6.546 5.122 ( -1.311 -2.662 -0.139) 2.970 5.122 ( 1.311 -2.662 -0.139) 2.970 5.210 ( -1.669 -5.892 1.141) 6.229 5.210 ( 1.669 -5.892 1.141) 6.229 5.842 ( -0.714 -1.960 1.100) 2.358 5.842 ( 0.714 -1.960 1.100) 2.358 5.887 ( -0.307 -2.080 0.080) 2.104 5.887 ( 0.307 -2.080 0.080) 2.104 5.932 ( -1.246 -3.616 -0.072) 3.826 5.932 ( 1.246 -3.616 -0.072) 3.826 5.990 ( -1.307 -3.941 -1.541) 4.429 5.990 ( 1.307 -3.941 -1.541) 4.429 6.210 ( -1.711 -5.033 1.601) 5.552 6.210 ( 1.711 -5.033 1.601) 5.552 6.297 ( -2.343 -6.774 -2.042) 7.452 6.297 ( 2.343 -6.774 -2.042) 7.452 6.524 ( -3.619 -2.374 2.895) 5.207 6.524 ( 3.619 -2.374 2.895) 5.207 6.644 ( -5.528 -5.558 -2.542) 8.241 6.644 ( 5.528 -5.558 -2.542) 8.241 7.238 ( -2.354 3.963 -0.142) 4.612 7.238 ( 2.354 3.963 -0.142) 4.612 7.321 ( -1.183 1.461 -2.781) 3.356 7.321 ( 1.183 1.461 -2.781) 3.356 7.740 ( -2.065 3.779 1.534) 4.572 7.740 ( 2.065 3.779 1.534) 4.572 7.898 ( -1.462 -1.533 0.978) 2.334 7.898 ( 1.462 -1.533 0.978) 2.334 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 -0.392 0.194) 0.438 0.745 ( 0.000 -1.423 -0.261) 1.447 1.057 ( 0.000 -0.278 0.147) 0.315 1.071 ( 0.000 -1.752 -0.586) 1.848 1.308 ( 0.000 1.068 0.464) 1.165 1.339 ( 0.000 -1.826 -0.979) 2.072 1.384 ( 0.000 0.195 0.201) 0.281 1.395 ( 0.000 -0.768 -0.238) 0.804 1.811 ( 0.000 2.940 2.596) 3.922 1.851 ( 0.000 -0.795 0.810) 1.135 1.903 ( 0.000 2.780 -0.856) 2.909 1.918 ( 0.000 1.416 -1.069) 1.774 2.444 ( 0.000 3.900 -0.548) 3.939 2.445 ( 0.000 2.484 -1.243) 2.778 2.488 ( 0.000 2.810 1.165) 3.042 2.512 ( 0.000 1.961 1.168) 2.283 2.525 ( 0.000 3.391 0.390) 3.414 2.559 ( 0.000 5.183 0.833) 5.250 2.586 ( 0.000 -1.420 0.033) 1.421 2.623 ( 0.000 2.084 2.116) 2.970 2.649 ( 0.000 1.435 2.442) 2.833 2.692 ( 0.000 2.410 -3.087) 3.916 2.741 ( 0.000 4.807 -3.318) 5.841 2.749 ( 0.000 2.073 -0.225) 2.085 2.833 ( 0.000 -7.206 -0.554) 7.227 2.867 ( 0.000 -7.038 -0.318) 7.045 2.937 ( 0.000 5.157 -1.096) 5.272 2.962 ( 0.000 2.207 -0.187) 2.215 2.996 ( 0.000 4.722 -0.624) 4.763 2.998 ( 0.000 8.524 5.439) 10.111 3.031 ( 0.000 4.812 4.975) 6.922 3.156 ( 0.000 -6.176 -7.916) 10.040 3.198 ( 0.000 -6.718 -3.061) 7.382 3.212 ( 0.000 0.397 -4.308) 4.327 3.339 ( 0.000 -9.726 3.802) 10.443 3.448 ( 0.000 -9.394 -1.186) 9.469 3.567 ( 0.000 2.961 2.747) 4.040 3.660 ( 0.000 -4.749 0.584) 4.785 3.729 ( 0.000 -0.477 -1.808) 1.870 3.768 ( 0.000 -3.247 -1.422) 3.544 3.867 ( 0.000 10.115 1.533) 10.231 3.873 ( 0.000 8.094 2.156) 8.376 4.045 ( 0.000 -7.446 3.006) 8.030 4.066 ( 0.000 -6.553 0.697) 6.590 4.182 ( 0.000 0.927 0.032) 0.928 4.187 ( 0.000 -0.127 -0.599) 0.612 4.263 ( 0.000 -0.221 5.409) 5.413 4.313 ( 0.000 -3.142 0.279) 3.154 4.338 ( 0.000 4.827 -0.292) 4.836 4.416 ( 0.000 -2.015 0.746) 2.148 4.579 ( 0.000 3.594 -2.986) 4.673 4.609 ( 0.000 1.022 -2.626) 2.818 4.844 ( 0.000 11.127 1.070) 11.178 4.900 ( 0.000 10.030 -2.365) 10.305 4.963 ( 0.000 3.494 0.251) 3.503 5.001 ( 0.000 -0.000 -0.426) 0.426 5.016 ( 0.000 1.952 -1.122) 2.252 5.061 ( 0.000 -9.528 1.104) 9.591 5.088 ( 0.000 -2.791 -2.120) 3.504 5.114 ( 0.000 -8.215 -0.734) 8.248 5.802 ( 0.000 -1.639 1.474) 2.205 5.804 ( 0.000 -1.592 -0.477) 1.662 5.839 ( 0.000 2.367 -1.283) 2.693 5.862 ( 0.000 -0.483 1.129) 1.228 5.884 ( 0.000 -1.904 1.569) 2.467 5.899 ( 0.000 -3.456 -0.558) 3.501 5.958 ( 0.000 1.942 0.642) 2.046 5.962 ( 0.000 0.974 0.453) 1.074 6.150 ( 0.000 -0.837 0.057) 0.839 6.169 ( 0.000 -2.773 -0.306) 2.790 6.249 ( 0.000 -2.526 0.175) 2.532 6.255 ( 0.000 -2.884 0.291) 2.898 6.381 ( 0.000 -0.159 -2.543) 2.547 6.408 ( 0.000 -2.853 -3.470) 4.492 6.598 ( 0.000 1.152 3.532) 3.715 6.660 ( 0.000 -5.021 0.503) 5.046 7.292 ( 0.000 2.601 2.094) 3.339 7.345 ( 0.000 -2.451 2.556) 3.541 7.397 ( 0.000 4.824 -2.100) 5.261 7.459 ( 0.000 -1.294 -2.197) 2.550 7.734 ( 0.000 2.612 -0.739) 2.714 7.756 ( 0.000 1.441 -0.854) 1.675 7.817 ( 0.000 -1.352 1.316) 1.887 7.819 ( 0.000 -2.158 0.566) 2.231 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 5.593 0.810 0.472) 5.671 0.826 ( 6.565 -2.069 -0.969) 6.951 1.030 ( -2.637 0.348 0.570) 2.720 1.064 ( -1.656 -2.849 -1.051) 3.459 1.303 ( -0.047 0.742 0.453) 0.871 1.326 ( -0.701 -1.408 -0.638) 1.698 1.362 ( -1.900 0.281 0.319) 1.947 1.376 ( -1.692 -1.010 -0.299) 1.993 1.837 ( 2.181 3.650 1.981) 4.691 1.874 ( 1.662 0.585 0.391) 1.805 1.903 ( 0.358 2.683 0.005) 2.707 1.930 ( 0.636 0.589 -0.064) 0.869 2.411 ( -0.938 5.456 -0.261) 5.543 2.431 ( -1.453 3.209 -1.063) 3.680 2.475 ( -2.259 4.309 0.863) 4.941 2.512 ( -1.366 2.279 1.319) 2.966 2.538 ( 0.751 -2.527 0.358) 2.660 2.569 ( 0.383 4.299 -1.132) 4.462 2.608 ( 0.354 -1.450 -2.038) 2.526 2.625 ( -2.513 5.499 -1.706) 6.282 2.656 ( 0.506 1.969 -0.779) 2.177 2.663 ( 0.371 3.894 0.727) 3.979 2.693 ( -1.772 -2.290 2.376) 3.746 2.712 ( -0.507 0.144 1.489) 1.580 2.804 ( -2.164 -2.577 1.434) 3.658 2.860 ( 1.511 -5.326 -2.697) 6.158 2.928 ( -0.534 4.156 0.090) 4.191 2.957 ( -1.019 5.408 3.035) 6.284 2.997 ( 0.220 -1.202 2.577) 2.852 3.007 ( 0.297 2.041 0.785) 2.207 3.030 ( -0.447 6.681 -1.658) 6.898 3.093 ( -6.602 -0.576 -1.749) 6.854 3.153 ( -0.762 -2.364 -3.611) 4.382 3.219 ( -1.816 1.161 -2.560) 3.347 3.356 ( 1.578 -13.707 0.130) 13.798 3.429 ( -1.438 -10.239 -2.112) 10.553 3.635 ( 5.694 4.667 2.334) 7.723 3.718 ( 3.215 -1.409 -0.451) 3.539 3.744 ( 1.059 0.895 -0.418) 1.448 3.780 ( -0.030 0.267 -0.044) 0.272 3.934 ( 6.414 5.249 1.669) 8.454 3.956 ( 6.576 4.088 1.772) 7.944 4.061 ( 1.889 -4.756 2.409) 5.656 4.100 ( 2.799 -4.961 0.932) 5.771 4.173 ( -0.581 0.423 0.197) 0.745 4.201 ( 0.788 -2.159 -0.989) 2.502 4.246 ( -1.556 0.152 4.683) 4.937 4.294 ( -2.340 -2.607 0.859) 3.607 4.362 ( 2.266 3.858 -0.742) 4.535 4.415 ( 0.156 -0.136 -1.030) 1.051 4.516 ( -4.711 3.674 -0.931) 6.046 4.561 ( -4.142 0.069 -3.037) 5.137 4.853 ( 0.909 9.787 1.366) 9.923 4.917 ( -0.615 5.106 -1.064) 5.252 4.947 ( 0.433 6.892 -0.762) 6.948 5.002 ( -1.090 3.533 -1.804) 4.114 5.022 ( 1.210 -3.282 0.152) 3.501 5.052 ( -0.648 -7.587 1.245) 7.715 5.086 ( 0.145 -3.586 -2.047) 4.131 5.113 ( -0.285 -7.025 -1.121) 7.120 5.819 ( 1.143 -1.009 0.440) 1.587 5.821 ( 1.637 -1.180 0.111) 2.021 5.836 ( -0.169 1.849 -0.357) 1.891 5.866 ( 0.546 -0.029 0.547) 0.773 5.886 ( -0.100 -2.511 1.169) 2.772 5.904 ( 0.571 -3.097 -0.079) 3.150 5.938 ( -1.740 1.517 0.640) 2.396 5.951 ( -1.029 -0.088 0.178) 1.047 6.146 ( -0.232 -0.662 0.246) 0.743 6.172 ( 0.315 -3.148 -0.586) 3.218 6.197 ( -2.951 -1.124 0.021) 3.158 6.230 ( -2.283 -4.202 -1.111) 4.910 6.429 ( 3.798 0.471 -0.685) 3.888 6.464 ( 4.198 -2.958 -2.158) 5.570 6.574 ( -2.238 1.156 2.996) 3.914 6.632 ( -2.685 -4.550 0.243) 5.289 7.278 ( -0.393 2.895 1.763) 3.413 7.333 ( -0.973 -2.524 1.259) 2.984 7.361 ( -2.830 3.620 -1.742) 4.914 7.400 ( -4.453 -0.302 -1.755) 4.796 7.760 ( 2.365 3.183 0.421) 3.988 7.796 ( 2.152 1.823 -1.216) 3.071 7.832 ( 1.320 -2.744 0.900) 3.176 7.841 ( 1.483 -1.620 0.571) 2.269 ======================= Grid point 97 (42/63) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.267 2.198 -0.447) 4.820 0.920 ( 4.267 2.198 -0.447) 4.820 0.986 ( -4.386 -4.026 -0.219) 5.957 0.986 ( 4.386 -4.026 -0.219) 5.957 1.320 ( -1.591 0.423 0.320) 1.677 1.320 ( 1.591 0.423 0.320) 1.677 1.337 ( -1.564 -1.169 -0.265) 1.971 1.337 ( 1.564 -1.169 -0.265) 1.971 1.878 ( -1.261 4.598 0.519) 4.796 1.878 ( 1.261 4.598 0.519) 4.796 1.927 ( -1.105 -0.210 1.090) 1.566 1.927 ( 1.105 -0.210 1.090) 1.566 2.405 ( -0.926 5.683 -1.578) 5.970 2.405 ( 0.926 5.683 -1.578) 5.970 2.470 ( -2.676 1.992 1.162) 3.533 2.470 ( 2.676 1.992 1.162) 3.533 2.546 ( -0.443 0.940 -1.061) 1.485 2.546 ( 0.443 0.940 -1.061) 1.485 2.575 ( -1.029 1.760 -2.148) 2.962 2.575 ( 1.029 1.760 -2.148) 2.962 2.679 ( -0.619 -0.914 2.814) 3.023 2.679 ( 0.619 -0.914 2.814) 3.023 2.707 ( -1.965 -1.394 2.288) 3.322 2.707 ( 1.965 -1.394 2.288) 3.322 2.872 ( -6.775 3.788 -1.005) 7.827 2.872 ( 6.775 3.788 -1.005) 7.827 2.928 ( -4.315 -1.355 -2.074) 4.975 2.928 ( 4.315 -1.355 -2.074) 4.975 2.962 ( -0.921 1.050 0.568) 1.507 2.962 ( 0.921 1.050 0.568) 1.507 3.029 ( -1.245 1.333 1.308) 2.244 3.029 ( 1.245 1.333 1.308) 2.244 3.169 ( -2.279 3.268 -1.323) 4.198 3.169 ( 2.279 3.268 -1.323) 4.198 3.394 ( -1.941 -12.605 -2.514) 12.999 3.394 ( 1.941 -12.605 -2.514) 12.999 3.733 ( -2.816 3.077 0.792) 4.246 3.733 ( 2.816 3.077 0.792) 4.246 3.763 ( -1.328 1.032 0.519) 1.760 3.763 ( 1.328 1.032 0.519) 1.760 4.040 ( -1.158 2.833 2.368) 3.870 4.040 ( 1.158 2.833 2.368) 3.870 4.122 ( -3.434 -3.913 1.172) 5.336 4.122 ( 3.434 -3.913 1.172) 5.336 4.185 ( -4.303 1.213 1.078) 4.599 4.185 ( 4.303 1.213 1.078) 4.599 4.230 ( -1.832 -2.093 0.274) 2.795 4.230 ( 1.832 -2.093 0.274) 2.795 4.415 ( -1.752 3.955 -1.946) 4.744 4.415 ( 1.752 3.955 -1.946) 4.744 4.472 ( -2.823 -1.623 -0.889) 3.375 4.472 ( 2.823 -1.623 -0.889) 3.375 4.881 ( -1.761 6.936 1.384) 7.289 4.881 ( 1.761 6.936 1.384) 7.289 4.974 ( -1.422 3.875 -2.000) 4.587 4.974 ( 1.422 3.875 -2.000) 4.587 5.041 ( -0.562 -4.621 0.523) 4.685 5.041 ( 0.562 -4.621 0.523) 4.685 5.099 ( -0.934 -5.043 -1.661) 5.391 5.099 ( 0.934 -5.043 -1.661) 5.391 5.832 ( -0.275 0.923 0.142) 0.974 5.832 ( 0.275 0.923 0.142) 0.974 5.862 ( -1.757 -1.409 0.154) 2.257 5.862 ( 1.757 -1.409 0.154) 2.257 5.897 ( -1.783 0.145 0.740) 1.936 5.897 ( 1.783 0.145 0.740) 1.936 5.925 ( -1.259 -2.404 0.117) 2.716 5.925 ( 1.259 -2.404 0.117) 2.716 6.151 ( -1.084 -0.447 0.150) 1.182 6.151 ( 1.084 -0.447 0.150) 1.182 6.190 ( -1.379 -3.944 -1.025) 4.302 6.190 ( 1.379 -3.944 -1.025) 4.302 6.510 ( -3.769 0.936 1.411) 4.132 6.510 ( 3.769 0.936 1.411) 4.132 6.556 ( -4.420 -3.477 -0.657) 5.662 6.556 ( 4.420 -3.477 -0.657) 5.662 7.302 ( -2.625 2.359 0.186) 3.535 7.302 ( 2.625 2.359 0.186) 3.535 7.331 ( -1.396 -0.517 -0.746) 1.666 7.331 ( 1.396 -0.517 -0.746) 1.666 7.804 ( -1.283 2.818 0.257) 3.107 7.804 ( 1.283 2.818 0.257) 3.107 7.856 ( -0.378 -2.473 0.180) 2.508 7.856 ( 0.378 -2.473 0.180) 2.508 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 0.000 -14.032) 14.032 0.661 ( 0.000 0.000 14.032) 14.032 0.722 ( 0.000 0.000 -12.843) 12.843 0.722 ( 0.000 0.000 12.843) 12.843 1.025 ( 0.000 0.000 -0.680) 0.680 1.025 ( 0.000 0.000 0.680) 0.680 1.193 ( 0.000 0.000 -2.055) 2.055 1.193 ( 0.000 0.000 2.055) 2.055 1.318 ( 0.000 0.000 -6.606) 6.606 1.318 ( 0.000 0.000 6.606) 6.606 1.357 ( 0.000 0.000 -13.289) 13.289 1.357 ( 0.000 0.000 13.289) 13.289 1.418 ( 0.000 0.000 -7.958) 7.958 1.418 ( 0.000 0.000 7.958) 7.958 1.458 ( 0.000 0.000 -6.759) 6.759 1.458 ( 0.000 0.000 6.759) 6.759 1.723 ( 0.000 0.000 -6.007) 6.007 1.723 ( 0.000 0.000 6.007) 6.007 1.966 ( 0.000 0.000 -0.635) 0.635 1.966 ( 0.000 0.000 0.635) 0.635 2.267 ( 0.000 0.000 -2.570) 2.570 2.267 ( 0.000 0.000 2.570) 2.570 2.311 ( 0.000 0.000 -4.307) 4.307 2.311 ( 0.000 0.000 4.307) 4.307 2.496 ( 0.000 0.000 -19.285) 19.285 2.496 ( 0.000 0.000 19.285) 19.285 2.498 ( 0.000 0.000 -3.438) 3.438 2.498 ( 0.000 0.000 3.438) 3.438 2.811 ( 0.000 0.000 -0.177) 0.177 2.811 ( 0.000 0.000 0.177) 0.177 3.015 ( 0.000 0.000 -1.277) 1.277 3.015 ( 0.000 0.000 1.277) 1.277 3.095 ( 0.000 0.000 -2.350) 2.350 3.095 ( 0.000 0.000 2.350) 2.350 3.426 ( 0.000 0.000 -3.387) 3.387 3.426 ( 0.000 0.000 3.387) 3.387 3.667 ( 0.000 0.000 -10.921) 10.921 3.667 ( 0.000 0.000 10.921) 10.921 3.755 ( 0.000 0.000 -4.304) 4.304 3.755 ( 0.000 0.000 4.304) 4.304 3.857 ( 0.000 0.000 -0.821) 0.821 3.857 ( 0.000 0.000 0.821) 0.821 3.864 ( 0.000 0.000 -2.815) 2.815 3.864 ( 0.000 0.000 2.815) 2.815 4.003 ( 0.000 0.000 -0.390) 0.390 4.003 ( 0.000 0.000 0.390) 0.390 4.032 ( 0.000 0.000 -0.773) 0.773 4.032 ( 0.000 0.000 0.773) 0.773 4.072 ( 0.000 0.000 -5.474) 5.474 4.072 ( 0.000 0.000 5.474) 5.474 4.337 ( 0.000 0.000 -0.709) 0.709 4.337 ( 0.000 0.000 0.709) 0.709 4.613 ( 0.000 0.000 -10.461) 10.461 4.613 ( 0.000 0.000 10.461) 10.461 4.928 ( 0.000 0.000 -0.545) 0.545 4.928 ( 0.000 0.000 0.545) 0.545 5.204 ( 0.000 0.000 -1.148) 1.148 5.204 ( 0.000 0.000 1.148) 1.148 5.292 ( 0.000 0.000 -0.530) 0.530 5.292 ( 0.000 0.000 0.530) 0.530 5.333 ( 0.000 0.000 -5.967) 5.967 5.333 ( 0.000 0.000 5.967) 5.967 5.475 ( 0.000 0.000 -1.981) 1.981 5.475 ( 0.000 0.000 1.981) 1.981 5.582 ( 0.000 0.000 -0.738) 0.738 5.582 ( 0.000 0.000 0.738) 0.738 5.622 ( 0.000 0.000 -0.110) 0.110 5.622 ( 0.000 0.000 0.110) 0.110 6.186 ( 0.000 0.000 -2.078) 2.078 6.186 ( 0.000 0.000 2.078) 2.078 6.423 ( 0.000 0.000 -5.697) 5.697 6.423 ( 0.000 0.000 5.697) 5.697 6.760 ( 0.000 0.000 -8.061) 8.061 6.760 ( 0.000 0.000 8.061) 8.061 7.547 ( 0.000 0.000 -13.783) 13.783 7.547 ( 0.000 0.000 13.783) 13.783 7.627 ( 0.000 0.000 -5.373) 5.373 7.627 ( 0.000 0.000 5.373) 5.373 7.737 ( 0.000 0.000 -5.223) 5.223 7.737 ( 0.000 0.000 5.223) 5.223 8.156 ( 0.000 0.000 -3.545) 3.545 8.156 ( 0.000 0.000 3.545) 3.545 8.566 ( 0.000 0.000 -3.761) 3.761 8.566 ( 0.000 0.000 3.761) 3.761 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 9.915 0.000 -8.372) 12.977 0.766 ( 9.915 0.000 8.372) 12.977 0.776 ( 4.512 0.000 -9.464) 10.484 0.776 ( 4.512 0.000 9.464) 10.484 1.005 ( -1.926 0.000 -1.577) 2.489 1.005 ( -1.926 0.000 1.577) 2.489 1.093 ( -4.838 0.000 -2.456) 5.426 1.093 ( -4.838 0.000 2.456) 5.426 1.306 ( -7.392 0.000 -5.086) 8.972 1.306 ( -7.392 0.000 5.086) 8.972 1.428 ( 0.934 0.000 -6.815) 6.878 1.428 ( 0.934 0.000 6.815) 6.878 1.452 ( 8.584 0.000 -11.517) 14.364 1.452 ( 8.584 0.000 11.517) 14.364 1.680 ( -3.389 0.000 -5.584) 6.532 1.680 ( -3.389 0.000 5.584) 6.532 1.690 ( 17.487 0.000 -5.666) 18.382 1.690 ( 17.487 0.000 5.666) 18.382 1.975 ( 1.048 0.000 -5.857) 5.950 1.975 ( 1.048 0.000 5.857) 5.950 2.268 ( 0.139 0.000 -9.697) 9.698 2.268 ( 0.139 0.000 9.697) 9.698 2.348 ( 3.146 0.000 -4.419) 5.424 2.348 ( 3.146 0.000 4.419) 5.424 2.477 ( -1.995 0.000 -3.723) 4.224 2.477 ( -1.995 0.000 3.723) 4.224 2.502 ( 0.654 0.000 -17.348) 17.360 2.502 ( 0.654 0.000 17.348) 17.360 2.801 ( -0.893 0.000 -2.645) 2.792 2.801 ( -0.893 0.000 2.645) 2.792 3.011 ( -2.550 0.000 -1.920) 3.192 3.011 ( -2.550 0.000 1.920) 3.192 3.026 ( -4.752 0.000 -2.645) 5.438 3.026 ( -4.752 0.000 2.645) 5.438 3.298 ( -9.741 0.000 -2.651) 10.096 3.298 ( -9.741 0.000 2.651) 10.096 3.637 ( -1.963 0.000 -7.705) 7.952 3.637 ( -1.963 0.000 7.705) 7.952 3.772 ( 1.550 0.000 -4.059) 4.345 3.772 ( 1.550 0.000 4.059) 4.345 3.790 ( -4.434 0.000 -2.285) 4.988 3.790 ( -4.434 0.000 2.285) 4.988 3.851 ( -1.192 0.000 -3.037) 3.262 3.851 ( -1.192 0.000 3.037) 3.262 3.999 ( -0.261 0.000 -0.263) 0.370 3.999 ( -0.261 0.000 0.263) 0.370 4.031 ( -0.040 0.000 -0.552) 0.554 4.031 ( -0.040 0.000 0.552) 0.554 4.073 ( 2.060 0.000 -5.238) 5.629 4.073 ( 2.060 0.000 5.238) 5.629 4.317 ( -3.019 0.000 -3.675) 4.756 4.317 ( -3.019 0.000 3.675) 4.756 4.690 ( 6.398 0.000 -10.367) 12.182 4.690 ( 6.398 0.000 10.367) 12.182 4.927 ( -1.771 0.000 -3.421) 3.852 4.927 ( -1.771 0.000 3.421) 3.852 5.211 ( 0.607 0.000 -0.937) 1.116 5.211 ( 0.607 0.000 0.937) 1.116 5.284 ( -0.596 0.000 -0.515) 0.787 5.284 ( -0.596 0.000 0.515) 0.787 5.351 ( 2.447 0.000 -4.616) 5.224 5.351 ( 2.447 0.000 4.616) 5.224 5.509 ( 1.881 0.000 -2.833) 3.400 5.509 ( 1.881 0.000 2.833) 3.400 5.584 ( 0.129 0.000 -0.544) 0.559 5.584 ( 0.129 0.000 0.544) 0.559 5.621 ( -0.078 0.000 -0.130) 0.152 5.621 ( -0.078 0.000 0.130) 0.152 6.265 ( 6.008 0.000 -2.460) 6.492 6.265 ( 6.008 0.000 2.460) 6.492 6.433 ( 0.326 0.000 -3.831) 3.845 6.433 ( 0.326 0.000 3.831) 3.845 6.801 ( 5.086 0.000 -9.642) 10.901 6.801 ( 5.086 0.000 9.642) 10.901 7.321 ( -16.027 0.000 -14.314) 21.489 7.321 ( -16.027 0.000 14.314) 21.489 7.651 ( 2.262 0.000 -1.856) 2.927 7.651 ( 2.262 0.000 1.856) 2.927 7.768 ( -0.446 0.000 -2.334) 2.376 7.768 ( -0.446 0.000 2.334) 2.376 8.207 ( 4.571 0.000 -4.266) 6.253 8.207 ( 4.571 0.000 4.266) 6.253 8.476 ( -7.034 0.000 -1.619) 7.218 8.476 ( -7.034 0.000 1.619) 7.218 ======================= Grid point 134 (45/63) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 0.000 -0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 0.968 ( -0.000 0.000 -0.000) 0.000 0.968 ( -0.000 0.000 0.000) 0.000 0.970 ( -0.000 0.000 0.000) 0.000 0.970 ( 0.000 0.000 0.000) 0.000 1.001 ( -0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 -0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 -0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 -0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 -0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 -0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 -0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.792 ( -0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.071 ( -0.000 0.000 -0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 -0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.803 ( -0.000 0.000 -0.000) 0.000 3.803 ( -0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 -0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 -0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 -0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.828 ( -0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 -0.000) 0.000 4.837 ( -0.000 0.000 -0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 -0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.979 ( -0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.022 ( -0.000 0.000 -0.000) 0.000 7.022 ( 0.000 0.000 -0.000) 0.000 7.700 ( -0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.733 ( -0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.334 ( -0.000 0.000 -0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 5.716 -10.398) 11.866 0.729 ( 0.000 5.716 10.398) 11.866 0.869 ( 0.000 10.450 -13.054) 16.722 0.869 ( 0.000 10.450 13.054) 16.722 1.101 ( 0.000 7.548 -0.146) 7.549 1.101 ( 0.000 7.548 0.146) 7.549 1.203 ( 0.000 2.007 -2.194) 2.973 1.203 ( 0.000 2.007 2.194) 2.973 1.294 ( 0.000 2.748 -6.557) 7.109 1.294 ( 0.000 2.748 6.557) 7.109 1.349 ( 0.000 0.653 -0.742) 0.989 1.349 ( 0.000 0.653 0.742) 0.989 1.424 ( 0.000 -1.927 -3.429) 3.934 1.424 ( 0.000 -1.927 3.429) 3.934 1.636 ( 0.000 12.514 -2.842) 12.833 1.636 ( 0.000 12.514 2.842) 12.833 1.912 ( 0.000 15.233 -0.128) 15.233 1.912 ( 0.000 15.233 0.128) 15.233 1.985 ( 0.000 3.473 -1.384) 3.738 1.985 ( 0.000 3.473 1.384) 3.738 2.259 ( 0.000 2.372 -7.397) 7.768 2.259 ( 0.000 2.372 7.397) 7.768 2.420 ( 0.000 7.742 -1.407) 7.869 2.420 ( 0.000 7.742 1.407) 7.869 2.502 ( 0.000 2.370 -15.949) 16.124 2.502 ( 0.000 2.370 15.949) 16.124 2.646 ( 0.000 13.033 -1.278) 13.096 2.646 ( 0.000 13.033 1.278) 13.096 2.812 ( 0.000 1.371 -0.211) 1.387 2.812 ( 0.000 1.371 0.211) 1.387 3.011 ( 0.000 -0.491 -0.684) 0.842 3.011 ( 0.000 -0.491 0.684) 0.842 3.080 ( 0.000 -0.922 -2.609) 2.767 3.080 ( 0.000 -0.922 2.609) 2.767 3.315 ( 0.000 -8.726 -3.762) 9.503 3.315 ( 0.000 -8.726 3.762) 9.503 3.539 ( 0.000 -7.933 -5.159) 9.463 3.539 ( 0.000 -7.933 5.159) 9.463 3.797 ( 0.000 -2.501 -1.272) 2.806 3.797 ( 0.000 -2.501 1.272) 2.806 3.829 ( 0.000 -0.552 -3.629) 3.671 3.829 ( 0.000 -0.552 3.629) 3.671 3.896 ( 0.000 0.736 -1.638) 1.796 3.896 ( 0.000 0.736 1.638) 1.796 3.962 ( 0.000 -0.327 -3.780) 3.794 3.962 ( 0.000 -0.327 3.780) 3.794 4.021 ( 0.000 1.857 -0.826) 2.033 4.021 ( 0.000 1.857 0.826) 2.033 4.157 ( 0.000 6.356 -1.784) 6.602 4.157 ( 0.000 6.356 1.784) 6.602 4.331 ( 0.000 1.054 -1.003) 1.455 4.331 ( 0.000 1.054 1.003) 1.455 4.585 ( 0.000 -2.199 -11.249) 11.461 4.585 ( 0.000 -2.199 11.249) 11.461 4.875 ( 0.000 -2.625 -0.751) 2.730 4.875 ( 0.000 -2.625 0.751) 2.730 5.213 ( 0.000 -3.053 -3.588) 4.711 5.213 ( 0.000 -3.053 3.588) 4.711 5.432 ( 0.000 9.371 -0.525) 9.386 5.432 ( 0.000 9.371 0.525) 9.386 5.461 ( 0.000 3.147 -0.357) 3.167 5.461 ( 0.000 3.147 0.357) 3.167 5.548 ( 0.000 16.837 -1.657) 16.919 5.548 ( 0.000 16.837 1.657) 16.919 5.727 ( 0.000 11.132 -1.626) 11.250 5.727 ( 0.000 11.132 1.626) 11.250 5.834 ( 0.000 16.439 -5.320) 17.278 5.834 ( 0.000 16.439 5.320) 17.278 6.222 ( 0.000 3.788 -2.688) 4.645 6.222 ( 0.000 3.788 2.688) 4.645 6.448 ( 0.000 2.918 -6.433) 7.064 6.448 ( 0.000 2.918 6.433) 7.064 6.765 ( 0.000 0.617 -8.691) 8.712 6.765 ( 0.000 0.617 8.691) 8.712 7.509 ( 0.000 -5.997 -8.778) 10.631 7.509 ( 0.000 -5.997 8.778) 10.631 7.569 ( 0.000 -5.943 -8.674) 10.514 7.569 ( 0.000 -5.943 8.674) 10.514 7.672 ( 0.000 -4.762 -6.845) 8.338 7.672 ( 0.000 -4.762 6.845) 8.338 8.018 ( 0.000 -13.133 -3.571) 13.610 8.018 ( 0.000 -13.133 3.571) 13.610 8.389 ( 0.000 -14.867 -0.398) 14.873 8.389 ( 0.000 -14.867 0.398) 14.873 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 6.848 4.291 -4.901) 9.451 0.802 ( 6.848 4.291 4.901) 9.451 0.915 ( 3.772 9.442 -9.280) 13.765 0.915 ( 3.772 9.442 9.280) 13.765 1.088 ( -1.794 7.295 -0.946) 7.571 1.088 ( -1.794 7.295 0.946) 7.571 1.137 ( -3.187 4.981 -1.829) 6.190 1.137 ( -3.187 4.981 1.829) 6.190 1.300 ( -3.962 -0.395 -2.956) 4.959 1.300 ( -3.962 -0.395 2.956) 4.959 1.364 ( 3.352 0.310 -4.881) 5.929 1.364 ( 3.352 0.310 4.881) 5.929 1.552 ( 6.899 -0.153 -5.626) 8.904 1.552 ( 6.899 -0.153 5.626) 8.904 1.659 ( 1.246 7.702 -2.973) 8.350 1.659 ( 1.246 7.702 2.973) 8.350 1.904 ( 3.006 9.959 -2.677) 10.742 1.904 ( 3.006 9.959 2.677) 10.742 2.034 ( 2.957 8.147 -5.784) 10.420 2.034 ( 2.957 8.147 5.784) 10.420 2.270 ( 0.938 3.446 -10.909) 11.479 2.270 ( 0.938 3.446 10.909) 11.479 2.446 ( 3.207 6.859 -0.999) 7.637 2.446 ( 3.207 6.859 0.999) 7.637 2.512 ( 0.278 3.625 -12.266) 12.793 2.512 ( 0.278 3.625 12.266) 12.793 2.632 ( -1.101 12.608 -2.399) 12.881 2.632 ( -1.101 12.608 2.399) 12.881 2.800 ( -1.045 1.555 -2.584) 3.192 2.800 ( -1.045 1.555 2.584) 3.192 2.994 ( -4.257 -1.507 -2.067) 4.967 2.994 ( -4.257 -1.507 2.067) 4.967 3.022 ( -3.133 0.015 -2.024) 3.729 3.022 ( -3.133 0.015 2.024) 3.729 3.232 ( -7.247 -5.325 -2.118) 9.239 3.232 ( -7.247 -5.325 2.118) 9.239 3.516 ( -0.362 -8.184 -4.299) 9.251 3.516 ( -0.362 -8.184 4.299) 9.251 3.675 ( -6.691 -5.139 -2.492) 8.797 3.675 ( -6.691 -5.139 2.492) 8.797 3.839 ( 0.110 2.220 -1.019) 2.445 3.839 ( 0.110 2.220 1.019) 2.445 3.901 ( -0.262 0.202 -0.988) 1.042 3.901 ( -0.262 0.202 0.988) 1.042 4.017 ( 2.918 2.246 -3.428) 5.031 4.017 ( 2.918 2.246 3.428) 5.031 4.033 ( 2.162 0.220 -1.179) 2.473 4.033 ( 2.162 0.220 1.179) 2.473 4.140 ( -0.771 6.303 -0.301) 6.357 4.140 ( -0.771 6.303 0.301) 6.357 4.288 ( -4.343 -0.391 -3.836) 5.807 4.288 ( -4.343 -0.391 3.836) 5.807 4.666 ( 6.755 -1.730 -10.252) 12.399 4.666 ( 6.755 -1.730 10.252) 12.399 4.886 ( -0.875 -2.487 -4.196) 4.955 4.886 ( -0.875 -2.487 4.196) 4.955 5.254 ( 3.801 -1.979 -3.163) 5.326 5.254 ( 3.801 -1.979 3.163) 5.326 5.381 ( -2.389 7.188 -3.111) 8.188 5.381 ( -2.389 7.188 3.111) 8.188 5.495 ( 1.031 9.703 -0.276) 9.762 5.495 ( 1.031 9.703 0.276) 9.762 5.551 ( -0.014 12.352 -1.095) 12.400 5.551 ( -0.014 12.352 1.095) 12.400 5.738 ( 0.907 11.662 -1.182) 11.757 5.738 ( 0.907 11.662 1.182) 11.757 5.811 ( -1.446 14.701 -2.850) 15.045 5.811 ( -1.446 14.701 2.850) 15.045 6.291 ( 5.233 2.629 -2.379) 6.321 6.291 ( 5.233 2.629 2.379) 6.321 6.459 ( 0.161 2.639 -3.996) 4.792 6.459 ( 0.161 2.639 3.996) 4.792 6.810 ( 5.406 0.862 -9.647) 11.092 6.810 ( 5.406 0.862 9.647) 11.092 7.323 ( -15.061 -0.901 -12.138) 19.364 7.323 ( -15.061 -0.901 12.138) 19.364 7.562 ( 2.084 -8.453 -2.435) 9.040 7.562 ( 2.084 -8.453 2.435) 9.040 7.692 ( -1.353 -7.055 -2.313) 7.547 7.692 ( -1.353 -7.055 2.313) 7.547 8.076 ( 4.974 -12.463 -4.388) 14.118 8.076 ( 4.974 -12.463 4.388) 14.118 8.324 ( -5.447 -13.263 -2.030) 14.481 8.324 ( -5.447 -13.263 2.030) 14.481 ======================= Grid point 144 (48/63) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 5.621 0.000) 5.621 0.922 ( 0.000 5.621 0.000) 5.621 0.967 ( 0.000 1.284 0.000) 1.284 0.967 ( 0.000 1.284 0.000) 1.284 1.059 ( 0.000 4.490 -0.000) 4.490 1.059 ( -0.000 4.490 0.000) 4.490 1.090 ( 0.000 10.950 -0.000) 10.950 1.090 ( 0.000 10.950 0.000) 10.950 1.224 ( 0.000 4.853 0.000) 4.853 1.224 ( 0.000 4.853 0.000) 4.853 1.412 ( 0.000 -2.265 -0.000) 2.265 1.412 ( 0.000 -2.265 0.000) 2.265 1.626 ( 0.000 0.121 -0.000) 0.121 1.626 ( 0.000 0.121 0.000) 0.121 1.646 ( 0.000 7.398 -0.000) 7.398 1.646 ( -0.000 7.398 0.000) 7.398 2.021 ( -0.000 2.314 -0.000) 2.314 2.021 ( 0.000 2.314 -0.000) 2.314 2.029 ( -0.000 8.216 0.000) 8.216 2.029 ( 0.000 8.216 0.000) 8.216 2.306 ( 0.000 5.687 -0.000) 5.687 2.306 ( 0.000 5.687 0.000) 5.687 2.499 ( 0.000 4.107 -0.000) 4.107 2.499 ( 0.000 4.107 0.000) 4.107 2.561 ( 0.000 10.520 -0.000) 10.520 2.561 ( 0.000 10.520 0.000) 10.520 2.566 ( -0.000 11.391 -0.000) 11.391 2.566 ( -0.000 11.391 0.000) 11.391 2.778 ( -0.000 -0.306 0.000) 0.306 2.778 ( 0.000 -0.306 0.000) 0.306 2.873 ( 0.000 0.045 0.000) 0.045 2.873 ( 0.000 0.045 0.000) 0.045 3.065 ( -0.000 -0.252 -0.000) 0.252 3.065 ( 0.000 -0.252 0.000) 0.252 3.083 ( -0.000 -3.477 0.000) 3.477 3.083 ( 0.000 -3.477 0.000) 3.477 3.556 ( -0.000 -5.011 0.000) 5.011 3.556 ( 0.000 -5.011 0.000) 5.011 3.573 ( 0.000 -9.080 -0.000) 9.080 3.573 ( 0.000 -9.080 0.000) 9.080 3.840 ( 0.000 2.599 -0.000) 2.599 3.840 ( 0.000 2.599 0.000) 2.599 3.896 ( 0.000 -0.255 -0.000) 0.255 3.896 ( 0.000 -0.255 0.000) 0.255 4.032 ( 0.000 3.868 0.000) 3.868 4.032 ( 0.000 3.868 0.000) 3.868 4.101 ( 0.000 4.025 0.000) 4.025 4.101 ( 0.000 4.025 0.000) 4.025 4.139 ( 0.000 2.513 -0.000) 2.513 4.139 ( 0.000 2.513 0.000) 2.513 4.204 ( 0.000 -1.610 0.000) 1.610 4.204 ( -0.000 -1.610 0.000) 1.610 4.802 ( 0.000 -1.821 0.000) 1.821 4.802 ( -0.000 -1.821 0.000) 1.821 4.814 ( 0.000 -1.712 -0.000) 1.712 4.814 ( 0.000 -1.712 -0.000) 1.712 5.323 ( -0.000 -3.168 -0.000) 3.168 5.323 ( -0.000 -3.168 0.000) 3.168 5.342 ( 0.000 8.479 -0.000) 8.479 5.342 ( 0.000 8.479 0.000) 8.479 5.507 ( 0.000 17.267 0.000) 17.267 5.507 ( 0.000 17.267 0.000) 17.267 5.544 ( 0.000 5.028 0.000) 5.028 5.544 ( 0.000 5.028 0.000) 5.028 5.753 ( 0.000 12.557 0.000) 12.557 5.753 ( 0.000 12.557 0.000) 12.557 5.794 ( 0.000 13.123 0.000) 13.123 5.794 ( 0.000 13.123 0.000) 13.123 6.369 ( 0.000 1.810 0.000) 1.810 6.369 ( 0.000 1.810 0.000) 1.810 6.442 ( 0.000 1.888 0.000) 1.888 6.442 ( 0.000 1.888 0.000) 1.888 7.000 ( -0.000 1.859 0.000) 1.859 7.000 ( 0.000 1.859 0.000) 1.859 7.026 ( -0.000 -0.210 -0.000) 0.210 7.026 ( 0.000 -0.210 0.000) 0.210 7.612 ( -0.000 -8.209 0.000) 8.209 7.612 ( 0.000 -8.209 0.000) 8.209 7.644 ( -0.000 -8.439 0.000) 8.439 7.644 ( 0.000 -8.439 0.000) 8.439 8.185 ( 0.000 -14.016 -0.000) 14.016 8.185 ( 0.000 -14.016 0.000) 14.016 8.209 ( -0.000 -10.115 0.000) 10.115 8.209 ( 0.000 -10.115 0.000) 10.115 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 3.230 -4.402) 5.460 0.828 ( 0.000 3.230 4.402) 5.460 1.048 ( 0.000 7.849 -8.022) 11.223 1.048 ( 0.000 7.849 8.022) 11.223 1.250 ( 0.000 3.479 -1.729) 3.885 1.250 ( 0.000 3.479 1.729) 3.885 1.296 ( 0.000 8.415 -1.882) 8.622 1.296 ( 0.000 8.415 1.882) 8.622 1.326 ( 0.000 -0.865 -2.316) 2.473 1.326 ( 0.000 -0.865 2.316) 2.473 1.430 ( 0.000 8.390 -0.153) 8.392 1.430 ( 0.000 8.390 0.153) 8.392 1.479 ( 0.000 8.282 -5.709) 10.058 1.479 ( 0.000 8.282 5.709) 10.058 1.857 ( 0.000 9.945 -0.379) 9.952 1.857 ( 0.000 9.945 0.379) 9.952 2.031 ( 0.000 4.655 -1.760) 4.977 2.031 ( 0.000 4.655 1.760) 4.977 2.189 ( 0.000 6.470 -4.837) 8.078 2.189 ( 0.000 6.470 4.837) 8.078 2.480 ( 0.000 19.450 -12.611) 23.181 2.480 ( 0.000 19.450 12.611) 23.181 2.536 ( 0.000 3.376 -0.510) 3.415 2.536 ( 0.000 3.376 0.510) 3.415 2.631 ( 0.000 10.244 -6.123) 11.934 2.631 ( 0.000 10.244 6.123) 11.934 2.898 ( 0.000 6.588 -0.736) 6.629 2.898 ( 0.000 6.588 0.736) 6.629 2.920 ( 0.000 8.543 -3.328) 9.168 2.920 ( 0.000 8.543 3.328) 9.168 3.016 ( 0.000 3.205 -0.646) 3.269 3.016 ( 0.000 3.205 0.646) 3.269 3.111 ( 0.000 4.609 -3.850) 6.006 3.111 ( 0.000 4.609 3.850) 6.006 3.151 ( 0.000 -4.339 -0.027) 4.339 3.151 ( 0.000 -4.339 0.027) 4.339 3.399 ( 0.000 -5.522 -1.393) 5.695 3.399 ( 0.000 -5.522 1.393) 5.695 3.743 ( 0.000 -2.415 -2.096) 3.198 3.743 ( 0.000 -2.415 2.096) 3.198 3.782 ( 0.000 -1.849 -4.322) 4.701 3.782 ( 0.000 -1.849 4.322) 4.701 3.917 ( 0.000 -0.607 -0.297) 0.676 3.917 ( 0.000 -0.607 0.297) 0.676 3.960 ( 0.000 1.287 -0.983) 1.619 3.960 ( 0.000 1.287 0.983) 1.619 4.103 ( 0.000 5.094 -1.295) 5.256 4.103 ( 0.000 5.094 1.295) 5.256 4.301 ( 0.000 7.218 -0.111) 7.219 4.301 ( 0.000 7.218 0.111) 7.219 4.373 ( 0.000 2.384 -1.644) 2.895 4.373 ( 0.000 2.384 1.644) 2.895 4.558 ( 0.000 0.027 -10.998) 10.998 4.558 ( 0.000 0.027 10.998) 10.998 4.845 ( 0.000 -0.366 -2.178) 2.209 4.845 ( 0.000 -0.366 2.178) 2.209 5.146 ( 0.000 -3.342 -1.385) 3.617 5.146 ( 0.000 -3.342 1.385) 3.617 5.445 ( 0.000 -0.635 -1.284) 1.433 5.445 ( 0.000 -0.635 1.284) 1.433 5.698 ( 0.000 11.839 -0.549) 11.851 5.698 ( 0.000 11.839 0.549) 11.851 5.834 ( 0.000 8.895 -1.152) 8.969 5.834 ( 0.000 8.895 1.152) 8.969 5.942 ( 0.000 10.536 -1.862) 10.700 5.942 ( 0.000 10.536 1.862) 10.700 6.087 ( 0.000 7.264 -6.376) 9.665 6.087 ( 0.000 7.264 6.376) 9.665 6.333 ( 0.000 6.931 -2.474) 7.359 6.333 ( 0.000 6.931 2.474) 7.359 6.545 ( 0.000 5.496 -6.853) 8.784 6.545 ( 0.000 5.496 6.853) 8.784 6.784 ( 0.000 0.894 -8.834) 8.879 6.784 ( 0.000 0.894 8.834) 8.879 7.297 ( 0.000 -13.701 -9.499) 16.672 7.297 ( 0.000 -13.701 9.499) 16.672 7.390 ( 0.000 -10.117 -4.836) 11.213 7.390 ( 0.000 -10.117 4.836) 11.213 7.547 ( 0.000 -9.886 -5.717) 11.420 7.547 ( 0.000 -9.886 5.717) 11.420 7.709 ( 0.000 -16.078 -2.063) 16.209 7.709 ( 0.000 -16.078 2.063) 16.209 8.115 ( 0.000 -9.777 -1.005) 9.828 8.115 ( 0.000 -9.777 1.005) 9.828 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 5.768 3.493 -1.686) 6.951 0.893 ( 5.768 3.493 1.686) 6.951 1.074 ( 1.018 6.988 -4.787) 8.531 1.074 ( 1.018 6.988 4.787) 8.531 1.220 ( -2.591 5.578 -1.381) 6.304 1.220 ( -2.591 5.578 1.381) 6.304 1.232 ( -2.302 1.151 -0.626) 2.649 1.232 ( -2.302 1.151 0.626) 2.649 1.348 ( 0.362 5.636 -0.547) 5.674 1.348 ( 0.362 5.636 0.547) 5.674 1.439 ( 0.478 7.477 -0.454) 7.506 1.439 ( 0.478 7.477 0.454) 7.506 1.586 ( 7.137 5.487 -5.580) 10.592 1.586 ( 7.137 5.487 5.580) 10.592 1.843 ( -1.371 9.544 -1.583) 9.771 1.843 ( -1.371 9.544 1.583) 9.771 2.016 ( 0.156 5.093 -3.343) 6.094 2.016 ( 0.156 5.093 3.343) 6.094 2.201 ( -0.737 4.918 -4.563) 6.749 2.201 ( -0.737 4.918 4.563) 6.749 2.471 ( 1.347 10.590 -7.572) 13.089 2.471 ( 1.347 10.590 7.572) 13.089 2.589 ( 4.421 10.633 -9.076) 14.663 2.589 ( 4.421 10.633 9.076) 14.663 2.648 ( 1.254 10.110 -6.383) 12.022 2.648 ( 1.254 10.110 6.383) 12.022 2.875 ( -2.363 8.347 -3.907) 9.515 2.875 ( -2.363 8.347 3.907) 9.515 2.907 ( -0.936 4.349 -0.641) 4.494 2.907 ( -0.936 4.349 0.641) 4.494 2.997 ( -2.205 4.500 -2.264) 5.499 2.997 ( -2.205 4.500 2.264) 5.499 3.062 ( -3.863 6.916 -4.236) 8.983 3.062 ( -3.863 6.916 4.236) 8.983 3.140 ( -2.372 -2.491 -0.450) 3.469 3.140 ( -2.372 -2.491 0.450) 3.469 3.381 ( 0.594 -4.295 -0.998) 4.449 3.381 ( 0.594 -4.295 0.998) 4.449 3.614 ( -7.980 -0.784 -3.716) 8.838 3.614 ( -7.980 -0.784 3.716) 8.838 3.823 ( 1.046 -3.272 -4.326) 5.524 3.823 ( 1.046 -3.272 4.326) 5.524 3.898 ( -1.258 0.246 -0.786) 1.503 3.898 ( -1.258 0.246 0.786) 1.503 4.017 ( 4.691 0.556 -1.792) 5.052 4.017 ( 4.691 0.556 1.792) 5.052 4.108 ( 0.600 4.320 -0.757) 4.427 4.108 ( 0.600 4.320 0.757) 4.427 4.274 ( -1.639 5.984 -1.626) 6.414 4.274 ( -1.639 5.984 1.626) 6.414 4.331 ( -4.185 4.419 -1.960) 6.394 4.331 ( -4.185 4.419 1.960) 6.394 4.643 ( 6.934 -0.403 -8.766) 11.184 4.643 ( 6.934 -0.403 8.766) 11.184 4.847 ( -1.081 -1.452 -4.658) 4.998 4.847 ( -1.081 -1.452 4.658) 4.998 5.202 ( 4.478 -2.728 -1.140) 5.366 5.202 ( 4.478 -2.728 1.140) 5.366 5.435 ( -0.812 0.011 -1.385) 1.606 5.435 ( -0.812 0.011 1.385) 1.606 5.724 ( 2.241 12.395 -0.450) 12.604 5.724 ( 2.241 12.395 0.450) 12.604 5.830 ( -0.821 9.474 -0.622) 9.529 5.830 ( -0.821 9.474 0.622) 9.529 5.967 ( 2.116 10.751 -1.279) 11.032 5.967 ( 2.116 10.751 1.279) 11.032 6.062 ( -1.969 8.979 -4.598) 10.279 6.062 ( -1.969 8.979 4.598) 10.279 6.366 ( 2.934 4.802 -1.586) 5.847 6.366 ( 2.934 4.802 1.586) 5.847 6.528 ( -1.983 3.298 -3.560) 5.242 6.528 ( -1.983 3.298 3.560) 5.242 6.827 ( 4.768 0.047 -6.866) 8.359 6.827 ( 4.768 0.047 6.866) 8.359 7.202 ( -8.958 -12.027 -6.343) 16.283 7.202 ( -8.958 -12.027 6.343) 16.283 7.382 ( 0.942 -8.120 -2.890) 8.671 7.382 ( 0.942 -8.120 2.890) 8.671 7.516 ( -3.451 -10.095 -1.651) 10.795 7.516 ( -3.451 -10.095 1.651) 10.795 7.770 ( 5.055 -16.606 -2.444) 17.529 7.770 ( 5.055 -16.606 2.444) 17.529 8.068 ( -3.980 -9.473 -1.152) 10.339 8.068 ( -3.980 -9.473 1.152) 10.339 ======================= Grid point 154 (51/63) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 3.392 -0.000) 3.392 1.022 ( 0.000 3.392 0.000) 3.392 1.031 ( -0.000 4.593 -0.000) 4.593 1.031 ( -0.000 4.593 0.000) 4.593 1.154 ( 0.000 4.771 0.000) 4.771 1.154 ( 0.000 4.771 0.000) 4.771 1.257 ( 0.000 2.633 -0.000) 2.633 1.257 ( 0.000 2.633 0.000) 2.633 1.338 ( 0.000 5.973 0.000) 5.973 1.338 ( 0.000 5.973 0.000) 5.973 1.443 ( 0.000 8.007 0.000) 8.007 1.443 ( 0.000 8.007 0.000) 8.007 1.669 ( 0.000 4.809 -0.000) 4.809 1.669 ( 0.000 4.809 0.000) 4.809 1.816 ( 0.000 9.625 0.000) 9.625 1.816 ( 0.000 9.625 0.000) 9.625 2.073 ( 0.000 3.930 -0.000) 3.930 2.073 ( 0.000 3.930 0.000) 3.930 2.132 ( -0.000 2.550 0.000) 2.550 2.132 ( 0.000 2.550 0.000) 2.550 2.513 ( 0.000 10.742 0.000) 10.742 2.513 ( 0.000 10.742 0.000) 10.742 2.665 ( 0.000 9.966 -0.000) 9.966 2.665 ( 0.000 9.966 0.000) 9.966 2.705 ( -0.000 5.609 -0.000) 5.609 2.705 ( -0.000 5.609 0.000) 5.609 2.802 ( 0.000 8.636 -0.000) 8.636 2.802 ( 0.000 8.636 0.000) 8.636 2.864 ( 0.000 7.291 -0.000) 7.291 2.864 ( 0.000 7.291 0.000) 7.291 2.951 ( 0.000 7.664 0.000) 7.664 2.951 ( 0.000 7.664 0.000) 7.664 3.033 ( 0.000 2.066 0.000) 2.066 3.033 ( 0.000 2.066 0.000) 2.066 3.095 ( 0.000 4.311 0.000) 4.311 3.095 ( 0.000 4.311 0.000) 4.311 3.435 ( 0.000 -3.926 -0.000) 3.926 3.435 ( 0.000 -3.926 0.000) 3.926 3.489 ( -0.000 -0.974 0.000) 0.974 3.489 ( 0.000 -0.974 0.000) 0.974 3.833 ( 0.000 -4.469 -0.000) 4.469 3.833 ( 0.000 -4.469 0.000) 4.469 3.883 ( 0.000 1.433 -0.000) 1.433 3.883 ( 0.000 1.433 0.000) 1.433 4.104 ( -0.000 3.076 -0.000) 3.076 4.104 ( 0.000 3.076 0.000) 3.076 4.107 ( 0.000 -0.095 -0.000) 0.095 4.107 ( 0.000 -0.095 0.000) 0.095 4.230 ( 0.000 5.541 0.000) 5.541 4.230 ( 0.000 5.541 0.000) 5.541 4.284 ( 0.000 6.417 0.000) 6.417 4.284 ( 0.000 6.417 0.000) 6.417 4.774 ( 0.000 -0.966 0.000) 0.966 4.774 ( -0.000 -0.966 0.000) 0.966 4.783 ( 0.000 -1.309 -0.000) 1.309 4.783 ( 0.000 -1.309 0.000) 1.309 5.264 ( 0.000 -2.847 -0.000) 2.847 5.264 ( 0.000 -2.847 0.000) 2.847 5.422 ( 0.000 0.760 0.000) 0.760 5.422 ( 0.000 0.760 0.000) 0.760 5.767 ( 0.000 13.745 -0.000) 13.745 5.767 ( 0.000 13.745 0.000) 13.745 5.802 ( 0.000 9.618 0.000) 9.618 5.802 ( 0.000 9.618 0.000) 9.618 6.016 ( 0.000 13.083 -0.000) 13.083 6.016 ( 0.000 13.083 0.000) 13.083 6.018 ( 0.000 8.104 -0.000) 8.104 6.018 ( -0.000 8.104 0.000) 8.104 6.422 ( 0.000 3.155 0.000) 3.155 6.422 ( 0.000 3.155 0.000) 3.155 6.482 ( 0.000 1.611 0.000) 1.611 6.482 ( 0.000 1.611 0.000) 1.611 6.966 ( 0.000 -7.016 -0.000) 7.016 6.966 ( 0.000 -7.016 0.000) 7.016 7.012 ( 0.000 -2.518 -0.000) 2.518 7.012 ( 0.000 -2.518 0.000) 2.518 7.430 ( -0.000 -8.244 0.000) 8.244 7.430 ( 0.000 -8.244 0.000) 8.244 7.437 ( -0.000 -11.497 0.000) 11.497 7.437 ( 0.000 -11.497 0.000) 11.497 7.849 ( 0.000 -17.239 0.000) 17.239 7.849 ( 0.000 -17.239 0.000) 17.239 8.002 ( 0.000 -8.363 0.000) 8.363 8.002 ( 0.000 -8.363 0.000) 8.363 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 -0.753 -1.963) 2.102 0.849 ( 0.000 -0.753 1.963) 2.102 1.174 ( 0.000 3.546 -3.521) 4.997 1.174 ( 0.000 3.546 3.521) 4.997 1.259 ( 0.000 -0.254 -1.312) 1.336 1.259 ( 0.000 -0.254 1.312) 1.336 1.339 ( 0.000 2.852 -1.085) 3.051 1.339 ( 0.000 2.852 1.085) 3.051 1.498 ( 0.000 9.851 -0.752) 9.880 1.498 ( 0.000 9.851 0.752) 9.880 1.589 ( 0.000 7.181 -1.927) 7.435 1.589 ( 0.000 7.181 1.927) 7.435 1.711 ( 0.000 14.236 -5.578) 15.290 1.711 ( 0.000 14.236 5.578) 15.290 2.032 ( 0.000 7.810 -2.689) 8.260 2.032 ( 0.000 7.810 2.689) 8.260 2.170 ( 0.000 9.238 -1.074) 9.300 2.170 ( 0.000 9.238 1.074) 9.300 2.292 ( 0.000 5.172 -4.531) 6.876 2.292 ( 0.000 5.172 4.531) 6.876 2.557 ( 0.000 1.302 -1.373) 1.892 2.557 ( 0.000 1.302 1.373) 1.892 2.766 ( 0.000 0.268 -0.155) 0.310 2.766 ( 0.000 0.268 0.155) 0.310 2.872 ( 0.000 12.736 -1.479) 12.822 2.872 ( 0.000 12.736 1.479) 12.822 2.936 ( 0.000 3.416 -4.152) 5.377 2.936 ( 0.000 3.416 4.152) 5.377 3.000 ( 0.000 -3.963 -0.724) 4.029 3.000 ( 0.000 -3.963 0.724) 4.029 3.051 ( 0.000 4.259 -1.221) 4.431 3.051 ( 0.000 4.259 1.221) 4.431 3.149 ( 0.000 7.614 -4.023) 8.612 3.149 ( 0.000 7.614 4.023) 8.612 3.353 ( 0.000 2.342 -3.180) 3.950 3.353 ( 0.000 2.342 3.180) 3.950 3.384 ( 0.000 11.428 -7.917) 13.903 3.384 ( 0.000 11.428 7.917) 13.903 3.720 ( 0.000 2.006 -3.800) 4.297 3.720 ( 0.000 2.006 3.800) 4.297 3.799 ( 0.000 3.234 -1.714) 3.661 3.799 ( 0.000 3.234 1.714) 3.661 3.877 ( 0.000 -2.007 -0.748) 2.142 3.877 ( 0.000 -2.007 0.748) 2.142 4.017 ( 0.000 3.554 -2.079) 4.117 4.017 ( 0.000 3.554 2.079) 4.117 4.197 ( 0.000 4.378 -0.316) 4.389 4.197 ( 0.000 4.378 0.316) 4.389 4.393 ( 0.000 1.648 -1.559) 2.269 4.393 ( 0.000 1.648 1.559) 2.269 4.429 ( 0.000 3.339 -1.591) 3.699 4.429 ( 0.000 3.339 1.591) 3.699 4.580 ( 0.000 1.463 -6.432) 6.597 4.580 ( 0.000 1.463 6.432) 6.597 4.860 ( 0.000 1.820 -3.053) 3.554 4.860 ( 0.000 1.820 3.053) 3.554 5.087 ( 0.000 -2.412 -1.290) 2.736 5.087 ( 0.000 -2.412 1.290) 2.736 5.427 ( 0.000 -1.277 -0.947) 1.590 5.427 ( 0.000 -1.277 0.947) 1.590 5.837 ( 0.000 2.246 -0.500) 2.301 5.837 ( 0.000 2.246 0.500) 2.301 5.946 ( 0.000 3.098 -1.128) 3.297 5.946 ( 0.000 3.098 1.128) 3.297 6.056 ( 0.000 -0.012 -0.144) 0.144 6.056 ( 0.000 -0.012 0.144) 0.144 6.149 ( 0.000 -0.455 -1.775) 1.833 6.149 ( 0.000 -0.455 1.775) 1.833 6.444 ( 0.000 1.684 -0.193) 1.695 6.444 ( 0.000 1.684 0.193) 1.695 6.580 ( 0.000 -3.290 -4.979) 5.968 6.580 ( 0.000 -3.290 4.979) 5.968 6.724 ( 0.000 -6.032 -1.023) 6.118 6.724 ( 0.000 -6.032 1.023) 6.118 7.046 ( 0.000 -14.183 -8.979) 16.786 7.046 ( 0.000 -14.183 8.979) 16.786 7.247 ( 0.000 1.513 -2.360) 2.804 7.247 ( 0.000 1.513 2.360) 2.804 7.383 ( 0.000 -15.316 -3.305) 15.668 7.383 ( 0.000 -15.316 3.305) 15.668 7.431 ( 0.000 0.354 -2.185) 2.214 7.431 ( 0.000 0.354 2.185) 2.214 8.016 ( 0.000 -2.153 -2.576) 3.357 8.016 ( 0.000 -2.153 2.576) 3.357 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.796 -0.954 -1.088) 5.973 0.915 ( 5.796 -0.954 1.088) 5.973 1.187 ( -1.396 1.898 -2.611) 3.517 1.187 ( -1.396 1.898 2.611) 3.517 1.226 ( -0.656 1.722 -2.013) 2.729 1.226 ( -0.656 1.722 2.013) 2.729 1.316 ( -1.766 3.839 -1.345) 4.434 1.316 ( -1.766 3.839 1.345) 4.434 1.473 ( -1.506 7.100 -1.148) 7.348 1.473 ( -1.506 7.100 1.148) 7.348 1.614 ( 1.485 8.768 -0.897) 8.938 1.614 ( 1.485 8.768 0.897) 8.938 1.764 ( 4.205 11.727 -4.566) 13.268 1.764 ( 4.205 11.727 4.566) 13.268 2.022 ( -0.485 8.541 -3.011) 9.069 2.022 ( -0.485 8.541 3.011) 9.069 2.168 ( -0.784 10.138 -1.719) 10.313 2.168 ( -0.784 10.138 1.719) 10.313 2.278 ( -2.217 3.680 -4.366) 6.125 2.278 ( -2.217 3.680 4.366) 6.125 2.545 ( 1.202 1.760 -1.600) 2.665 2.545 ( 1.202 1.760 1.600) 2.665 2.752 ( 0.049 0.664 -0.456) 0.807 2.752 ( 0.049 0.664 0.456) 0.807 2.881 ( -0.490 5.596 -1.619) 5.846 2.881 ( -0.490 5.596 1.619) 5.846 2.932 ( -0.744 2.950 -2.060) 3.675 2.932 ( -0.744 2.950 2.060) 3.675 3.018 ( -1.890 7.816 -3.529) 8.781 3.018 ( -1.890 7.816 3.529) 8.781 3.048 ( 1.018 0.990 -0.827) 1.643 3.048 ( 1.018 0.990 0.827) 1.643 3.133 ( -0.531 2.495 -3.187) 4.083 3.133 ( -0.531 2.495 3.187) 4.083 3.282 ( -2.102 9.399 -8.440) 12.806 3.282 ( -2.102 9.399 8.440) 12.806 3.433 ( 2.316 8.340 -6.825) 11.023 3.433 ( 2.316 8.340 6.825) 11.023 3.654 ( -6.042 4.647 -2.878) 8.147 3.654 ( -6.042 4.647 2.878) 8.147 3.785 ( -1.072 1.236 -0.834) 1.836 3.785 ( -1.072 1.236 0.834) 1.836 3.895 ( 1.245 0.595 -1.146) 1.794 3.895 ( 1.245 0.595 1.146) 1.794 4.059 ( 4.046 3.083 -1.241) 5.236 4.059 ( 4.046 3.083 1.241) 5.236 4.180 ( -0.941 2.987 -0.921) 3.264 4.180 ( -0.941 2.987 0.921) 3.264 4.359 ( -1.821 3.055 -1.258) 3.772 4.359 ( -1.821 3.055 1.258) 3.772 4.432 ( -1.914 4.308 -1.244) 4.875 4.432 ( -1.914 4.308 1.244) 4.875 4.648 ( 5.837 0.693 -5.311) 7.922 4.648 ( 5.837 0.693 5.311) 7.922 4.829 ( -2.374 -0.261 -3.637) 4.351 4.829 ( -2.374 -0.261 3.637) 4.351 5.150 ( 4.405 -2.407 -0.693) 5.068 5.150 ( 4.405 -2.407 0.693) 5.068 5.422 ( -0.454 -1.340 -0.859) 1.655 5.422 ( -0.454 -1.340 0.859) 1.655 5.869 ( 2.450 2.144 -0.609) 3.312 5.869 ( 2.450 2.144 0.609) 3.312 5.954 ( 0.510 3.642 -0.522) 3.714 5.954 ( 0.510 3.642 0.522) 3.714 6.076 ( 1.627 -0.449 -0.891) 1.909 6.076 ( 1.627 -0.449 0.891) 1.909 6.157 ( 0.811 0.085 -1.618) 1.812 6.157 ( 0.811 0.085 1.618) 1.812 6.445 ( 0.235 0.673 -1.054) 1.273 6.445 ( 0.235 0.673 1.054) 1.273 6.539 ( -3.430 -2.836 -4.595) 6.397 6.539 ( -3.430 -2.836 4.595) 6.397 6.749 ( 2.070 -7.075 -0.253) 7.376 6.749 ( 2.070 -7.075 0.253) 7.376 6.982 ( -5.420 -9.509 -6.180) 12.570 6.982 ( -5.420 -9.509 6.180) 12.570 7.206 ( -0.823 -6.403 -1.798) 6.701 7.206 ( -0.823 -6.403 1.798) 6.701 7.341 ( -3.878 -8.884 -4.122) 10.533 7.341 ( -3.878 -8.884 4.122) 10.533 7.543 ( 7.610 -1.832 -2.675) 8.271 7.543 ( 7.610 -1.832 2.675) 8.271 7.977 ( -3.383 -1.377 -3.483) 5.047 7.977 ( -3.383 -1.377 3.483) 5.047 ======================= Grid point 164 (54/63) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 -2.606 -0.000) 2.606 1.026 ( 0.000 -2.606 0.000) 2.606 1.107 ( -0.000 2.204 -0.000) 2.204 1.107 ( -0.000 2.204 0.000) 2.204 1.251 ( 0.000 5.017 0.000) 5.017 1.251 ( 0.000 5.017 0.000) 5.017 1.289 ( -0.000 1.858 -0.000) 1.858 1.289 ( 0.000 1.858 0.000) 1.858 1.455 ( 0.000 6.166 0.000) 6.166 1.455 ( 0.000 6.166 0.000) 6.166 1.632 ( 0.000 9.189 0.000) 9.189 1.632 ( 0.000 9.189 0.000) 9.189 1.822 ( 0.000 10.176 -0.000) 10.176 1.822 ( 0.000 10.176 0.000) 10.176 2.016 ( 0.000 10.173 -0.000) 10.173 2.016 ( 0.000 10.173 0.000) 10.173 2.179 ( 0.000 2.824 -0.000) 2.824 2.179 ( 0.000 2.824 0.000) 2.824 2.205 ( -0.000 9.349 -0.000) 9.349 2.205 ( -0.000 9.349 0.000) 9.349 2.599 ( 0.000 1.010 0.000) 1.010 2.599 ( 0.000 1.010 0.000) 1.010 2.766 ( 0.000 1.531 0.000) 1.531 2.766 ( 0.000 1.531 0.000) 1.531 2.848 ( -0.000 2.505 -0.000) 2.505 2.848 ( 0.000 2.505 0.000) 2.505 2.905 ( 0.000 0.087 -0.000) 0.087 2.905 ( 0.000 0.087 0.000) 0.087 3.011 ( 0.000 3.978 -0.000) 3.978 3.011 ( -0.000 3.978 0.000) 3.978 3.022 ( 0.000 11.568 -0.000) 11.568 3.022 ( 0.000 11.568 0.000) 11.568 3.146 ( 0.000 -1.354 -0.000) 1.354 3.146 ( 0.000 -1.354 0.000) 1.354 3.275 ( 0.000 13.716 -0.000) 13.716 3.275 ( 0.000 13.716 0.000) 13.716 3.482 ( 0.000 7.007 -0.000) 7.007 3.482 ( 0.000 7.007 0.000) 7.007 3.549 ( -0.000 6.952 0.000) 6.952 3.549 ( 0.000 6.952 0.000) 6.952 3.771 ( 0.000 0.316 -0.000) 0.316 3.771 ( 0.000 0.316 0.000) 0.316 3.907 ( 0.000 1.955 -0.000) 1.955 3.907 ( 0.000 1.955 0.000) 1.955 4.136 ( -0.000 2.575 -0.000) 2.575 4.136 ( 0.000 2.575 0.000) 2.575 4.160 ( 0.000 2.680 0.000) 2.680 4.160 ( 0.000 2.680 0.000) 2.680 4.329 ( -0.000 4.179 0.000) 4.179 4.329 ( -0.000 4.179 0.000) 4.179 4.398 ( 0.000 4.508 0.000) 4.508 4.398 ( 0.000 4.508 0.000) 4.508 4.760 ( -0.000 -0.535 -0.000) 0.535 4.760 ( -0.000 -0.535 0.000) 0.535 4.764 ( 0.000 -0.505 -0.000) 0.505 4.764 ( 0.000 -0.505 0.000) 0.505 5.205 ( 0.000 -3.057 -0.000) 3.057 5.205 ( 0.000 -3.057 0.000) 3.057 5.415 ( 0.000 -1.276 0.000) 1.276 5.415 ( 0.000 -1.276 0.000) 1.276 5.902 ( 0.000 1.691 -0.000) 1.691 5.902 ( 0.000 1.691 0.000) 1.691 5.959 ( 0.000 4.454 -0.000) 4.454 5.959 ( 0.000 4.454 0.000) 4.454 6.098 ( 0.000 -0.715 -0.000) 0.715 6.098 ( 0.000 -0.715 0.000) 0.715 6.172 ( 0.000 0.985 -0.000) 0.985 6.172 ( 0.000 0.985 0.000) 0.985 6.469 ( -0.000 0.887 -0.000) 0.887 6.469 ( -0.000 0.887 0.000) 0.887 6.469 ( 0.000 -4.265 -0.000) 4.265 6.469 ( 0.000 -4.265 0.000) 4.265 6.786 ( 0.000 -8.770 -0.000) 8.770 6.786 ( 0.000 -8.770 0.000) 8.770 6.900 ( 0.000 -6.579 0.000) 6.579 6.900 ( 0.000 -6.579 0.000) 6.579 7.215 ( 0.000 -9.188 0.000) 9.188 7.215 ( 0.000 -9.188 0.000) 9.188 7.279 ( 0.000 -7.501 0.000) 7.501 7.279 ( 0.000 -7.501 0.000) 7.501 7.643 ( 0.000 -1.749 0.000) 1.749 7.643 ( 0.000 -1.749 0.000) 1.749 7.923 ( 0.000 -0.406 0.000) 0.406 7.923 ( 0.000 -0.406 0.000) 0.406 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 -2.224 -1.303) 2.578 0.816 ( 0.000 -2.224 1.303) 2.578 1.161 ( 0.000 -2.673 -2.681) 3.787 1.161 ( 0.000 -2.673 2.681) 3.787 1.306 ( 0.000 2.575 -1.802) 3.143 1.306 ( 0.000 2.575 1.802) 3.143 1.383 ( 0.000 1.423 -0.857) 1.661 1.383 ( 0.000 1.423 0.857) 1.661 1.678 ( 0.000 7.843 -0.082) 7.844 1.678 ( 0.000 7.843 0.082) 7.844 1.718 ( 0.000 6.104 -1.691) 6.334 1.718 ( 0.000 6.104 1.691) 6.334 2.011 ( 0.000 15.423 -4.031) 15.941 2.011 ( 0.000 15.423 4.031) 15.941 2.184 ( 0.000 7.879 -0.847) 7.924 2.184 ( 0.000 7.879 0.847) 7.924 2.355 ( 0.000 7.514 -1.558) 7.673 2.355 ( 0.000 7.514 1.558) 7.673 2.413 ( 0.000 7.840 -1.655) 8.013 2.413 ( 0.000 7.840 1.655) 8.013 2.608 ( 0.000 4.341 -0.083) 4.342 2.608 ( 0.000 4.341 0.083) 4.342 2.706 ( 0.000 -4.279 -0.204) 4.284 2.706 ( 0.000 -4.279 0.204) 4.284 2.881 ( 0.000 -4.185 -4.265) 5.975 2.881 ( 0.000 -4.185 4.265) 5.975 2.899 ( 0.000 -1.786 -1.895) 2.604 2.899 ( 0.000 -1.786 1.895) 2.604 3.093 ( 0.000 -1.218 -2.538) 2.815 3.093 ( 0.000 -1.218 2.538) 2.815 3.152 ( 0.000 7.189 -0.311) 7.196 3.152 ( 0.000 7.189 0.311) 7.196 3.253 ( 0.000 1.839 -2.734) 3.295 3.253 ( 0.000 1.839 2.734) 3.295 3.415 ( 0.000 1.881 -2.434) 3.076 3.415 ( 0.000 1.881 2.434) 3.076 3.539 ( 0.000 7.424 -7.517) 10.565 3.539 ( 0.000 7.424 7.517) 10.565 3.793 ( 0.000 -1.317 -0.477) 1.401 3.793 ( 0.000 -1.317 0.477) 1.401 3.838 ( 0.000 2.126 -0.130) 2.130 3.838 ( 0.000 2.126 0.130) 2.130 3.947 ( 0.000 9.627 -0.520) 9.641 3.947 ( 0.000 9.627 0.520) 9.641 4.098 ( 0.000 4.472 -1.862) 4.845 4.098 ( 0.000 4.472 1.862) 4.845 4.285 ( 0.000 3.849 -3.372) 5.117 4.285 ( 0.000 3.849 3.372) 5.117 4.411 ( 0.000 -0.238 -5.687) 5.692 4.411 ( 0.000 -0.238 5.687) 5.692 4.463 ( 0.000 1.409 -0.568) 1.519 4.463 ( 0.000 1.409 0.568) 1.519 4.596 ( 0.000 0.499 -1.378) 1.465 4.596 ( 0.000 0.499 1.378) 1.465 4.901 ( 0.000 1.702 -1.961) 2.597 4.901 ( 0.000 1.702 1.961) 2.597 5.062 ( 0.000 -0.014 -3.013) 3.013 5.062 ( 0.000 -0.014 3.013) 3.013 5.379 ( 0.000 -4.109 -0.317) 4.121 5.379 ( 0.000 -4.109 0.317) 4.121 5.847 ( 0.000 -0.173 -1.469) 1.479 5.847 ( 0.000 -0.173 1.469) 1.479 5.928 ( 0.000 -3.828 -2.481) 4.561 5.928 ( 0.000 -3.828 2.481) 4.561 6.002 ( 0.000 -4.756 -1.181) 4.900 6.002 ( 0.000 -4.756 1.181) 4.900 6.083 ( 0.000 -4.605 -0.791) 4.672 6.083 ( 0.000 -4.605 0.791) 4.672 6.347 ( 0.000 -8.790 -2.256) 9.075 6.347 ( 0.000 -8.790 2.256) 9.075 6.469 ( 0.000 -3.843 -1.203) 4.027 6.469 ( 0.000 -3.843 1.203) 4.027 6.603 ( 0.000 -10.991 -0.572) 11.006 6.603 ( 0.000 -10.991 0.572) 11.006 6.831 ( 0.000 -6.076 -9.757) 11.494 6.831 ( 0.000 -6.076 9.757) 11.494 7.184 ( 0.000 -2.244 -2.990) 3.738 7.184 ( 0.000 -2.244 2.990) 3.738 7.348 ( 0.000 5.040 -0.505) 5.065 7.348 ( 0.000 5.040 0.505) 5.065 7.523 ( 0.000 6.844 -0.058) 6.845 7.523 ( 0.000 6.844 0.058) 6.845 7.974 ( 0.000 -2.631 -0.803) 2.750 7.974 ( 0.000 -2.631 0.803) 2.750 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 5.058 -2.552 -1.819) 5.950 0.876 ( 5.058 -2.552 1.819) 5.950 1.155 ( -1.331 -2.674 -3.074) 4.286 1.155 ( -1.331 -2.674 3.074) 4.286 1.295 ( -0.118 2.592 -1.115) 2.825 1.295 ( -0.118 2.592 1.115) 2.825 1.368 ( -1.471 1.444 -1.156) 2.363 1.368 ( -1.471 1.444 1.156) 2.363 1.623 ( -2.661 7.744 -0.863) 8.234 1.623 ( -2.661 7.744 0.863) 8.234 1.768 ( 2.300 6.666 -0.880) 7.107 1.768 ( 2.300 6.666 0.880) 7.107 2.022 ( 1.250 13.498 -3.721) 14.058 2.022 ( 1.250 13.498 3.721) 14.058 2.192 ( 0.809 8.696 -1.510) 8.863 2.192 ( 0.809 8.696 1.510) 8.863 2.348 ( -5.217 5.169 -2.517) 7.763 2.348 ( -5.217 5.169 2.517) 7.763 2.398 ( 2.238 10.452 -1.434) 10.785 2.398 ( 2.238 10.452 1.434) 10.785 2.597 ( 0.457 3.888 -1.040) 4.051 2.597 ( 0.457 3.888 1.040) 4.051 2.716 ( 1.715 -2.628 -0.759) 3.229 2.716 ( 1.715 -2.628 0.759) 3.229 2.877 ( -0.814 -1.784 -3.593) 4.094 2.877 ( -0.814 -1.784 3.593) 4.094 2.942 ( 3.273 -3.586 -4.148) 6.385 2.942 ( 3.273 -3.586 4.148) 6.385 2.996 ( -7.222 -1.636 -2.413) 7.789 2.996 ( -7.222 -1.636 2.413) 7.789 3.118 ( -2.822 -0.215 -4.185) 5.052 3.118 ( -2.822 -0.215 4.185) 5.052 3.284 ( 0.034 6.748 -3.650) 7.673 3.284 ( 0.034 6.748 3.650) 7.673 3.434 ( 3.523 5.720 -6.201) 9.142 3.434 ( 3.523 5.720 6.201) 9.142 3.543 ( 0.331 4.490 -7.675) 8.899 3.543 ( 0.331 4.490 7.675) 8.899 3.717 ( -4.106 -0.148 -1.674) 4.436 3.717 ( -4.106 -0.148 1.674) 4.436 3.903 ( 1.643 7.442 -0.473) 7.636 3.903 ( 1.643 7.442 0.473) 7.636 3.978 ( 2.379 7.939 -1.498) 8.422 3.978 ( 2.379 7.939 1.498) 8.422 4.121 ( 3.070 2.946 -1.561) 4.532 4.121 ( 3.070 2.946 1.561) 4.532 4.242 ( -2.847 3.575 -1.543) 4.823 4.242 ( -2.847 3.575 1.543) 4.823 4.396 ( -0.498 -0.016 -2.076) 2.135 4.396 ( -0.498 -0.016 2.076) 2.135 4.464 ( -1.214 -0.640 -1.017) 1.708 4.464 ( -1.214 -0.640 1.017) 1.708 4.667 ( 5.316 1.592 -0.754) 5.600 4.667 ( 5.316 1.592 0.754) 5.600 4.846 ( -3.760 2.024 -0.624) 4.316 4.846 ( -3.760 2.024 0.624) 4.316 5.112 ( 3.274 -1.270 -1.114) 3.684 5.112 ( 3.274 -1.270 1.114) 3.684 5.370 ( -0.705 -4.396 -0.381) 4.468 5.370 ( -0.705 -4.396 0.381) 4.468 5.871 ( 2.006 -0.861 -1.367) 2.576 5.871 ( 2.006 -0.861 1.367) 2.576 5.948 ( 1.163 -3.769 -2.564) 4.704 5.948 ( 1.163 -3.769 2.564) 4.704 6.003 ( 0.627 -5.052 -1.177) 5.224 6.003 ( 0.627 -5.052 1.177) 5.224 6.083 ( -0.225 -5.694 -1.142) 5.812 6.083 ( -0.225 -5.694 1.142) 5.812 6.344 ( -0.136 -7.735 -2.064) 8.007 6.344 ( -0.136 -7.735 2.064) 8.007 6.452 ( -1.621 -5.154 -0.715) 5.450 6.452 ( -1.621 -5.154 0.715) 5.450 6.613 ( 1.278 -8.617 -2.009) 8.940 6.613 ( 1.278 -8.617 2.009) 8.940 6.798 ( -3.106 -7.183 -8.020) 11.205 6.798 ( -3.106 -7.183 8.020) 11.205 7.154 ( -1.311 0.795 -1.248) 1.977 7.154 ( -1.311 0.795 1.248) 1.977 7.292 ( -4.082 3.341 -2.622) 5.891 7.292 ( -4.082 3.341 2.622) 5.891 7.610 ( 5.919 5.329 -2.686) 8.405 7.610 ( 5.919 5.329 2.686) 8.405 7.956 ( -1.634 -1.453 -2.401) 3.248 7.956 ( -1.634 -1.453 2.401) 3.248 ======================= Grid point 174 (57/63) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 -3.535 -0.000) 3.535 0.957 ( 0.000 -3.535 0.000) 3.535 1.115 ( 0.000 -1.196 -0.000) 1.196 1.115 ( 0.000 -1.196 0.000) 1.196 1.319 ( -0.000 0.956 0.000) 0.956 1.319 ( 0.000 0.956 0.000) 0.956 1.329 ( -0.000 2.364 0.000) 2.364 1.329 ( 0.000 2.364 0.000) 2.364 1.594 ( 0.000 7.862 0.000) 7.862 1.594 ( 0.000 7.862 0.000) 7.862 1.792 ( 0.000 6.936 0.000) 6.936 1.792 ( 0.000 6.936 0.000) 6.936 2.047 ( 0.000 11.776 -0.000) 11.776 2.047 ( 0.000 11.776 0.000) 11.776 2.215 ( 0.000 9.604 -0.000) 9.604 2.215 ( 0.000 9.604 0.000) 9.604 2.255 ( -0.000 4.997 -0.000) 4.997 2.255 ( -0.000 4.997 0.000) 4.997 2.422 ( 0.000 11.907 0.000) 11.907 2.422 ( 0.000 11.907 0.000) 11.907 2.624 ( 0.000 1.987 -0.000) 1.987 2.624 ( 0.000 1.987 0.000) 1.987 2.776 ( 0.000 -0.127 0.000) 0.127 2.776 ( 0.000 -0.127 0.000) 0.127 2.831 ( -0.000 -2.878 -0.000) 2.878 2.831 ( -0.000 -2.878 0.000) 2.878 2.885 ( 0.000 -1.448 -0.000) 1.448 2.885 ( 0.000 -1.448 0.000) 1.448 3.036 ( 0.000 -5.272 -0.000) 5.272 3.036 ( 0.000 -5.272 0.000) 5.272 3.040 ( -0.000 -0.842 -0.000) 0.842 3.040 ( -0.000 -0.842 0.000) 0.842 3.273 ( 0.000 7.128 0.000) 7.128 3.273 ( 0.000 7.128 0.000) 7.128 3.494 ( 0.000 7.907 -0.000) 7.907 3.494 ( 0.000 7.907 0.000) 7.907 3.548 ( 0.000 2.117 -0.000) 2.117 3.548 ( 0.000 2.117 0.000) 2.117 3.669 ( 0.000 2.767 0.000) 2.767 3.669 ( 0.000 2.767 0.000) 2.767 3.899 ( 0.000 9.444 -0.000) 9.444 3.899 ( 0.000 9.444 0.000) 9.444 4.006 ( 0.000 8.294 -0.000) 8.294 4.006 ( 0.000 8.294 0.000) 8.294 4.192 ( -0.000 2.849 -0.000) 2.849 4.192 ( 0.000 2.849 0.000) 2.849 4.202 ( 0.000 0.902 0.000) 0.902 4.202 ( 0.000 0.902 0.000) 0.902 4.398 ( -0.000 3.103 0.000) 3.103 4.398 ( 0.000 3.103 0.000) 3.103 4.426 ( 0.000 -2.709 0.000) 2.709 4.426 ( 0.000 -2.709 0.000) 2.709 4.758 ( -0.000 0.858 -0.000) 0.858 4.758 ( 0.000 0.858 0.000) 0.858 4.778 ( 0.000 2.382 -0.000) 2.382 4.778 ( 0.000 2.382 0.000) 2.382 5.152 ( 0.000 -2.099 -0.000) 2.099 5.152 ( 0.000 -2.099 0.000) 2.099 5.360 ( 0.000 -4.761 -0.000) 4.761 5.360 ( 0.000 -4.761 0.000) 4.761 5.901 ( 0.000 -1.291 -0.000) 1.291 5.901 ( 0.000 -1.291 0.000) 1.291 5.953 ( 0.000 -4.374 -0.000) 4.374 5.953 ( 0.000 -4.374 0.000) 4.374 6.025 ( 0.000 -3.419 -0.000) 3.419 6.025 ( 0.000 -3.419 0.000) 3.419 6.074 ( 0.000 -8.757 -0.000) 8.757 6.074 ( 0.000 -8.757 0.000) 8.757 6.345 ( 0.000 -6.188 0.000) 6.188 6.345 ( 0.000 -6.188 0.000) 6.188 6.425 ( 0.000 -6.299 -0.000) 6.299 6.425 ( 0.000 -6.299 0.000) 6.299 6.643 ( 0.000 -5.331 -0.000) 5.331 6.643 ( 0.000 -5.331 0.000) 5.331 6.743 ( 0.000 -9.045 0.000) 9.045 6.743 ( 0.000 -9.045 0.000) 9.045 7.152 ( 0.000 2.522 -0.000) 2.522 7.152 ( 0.000 2.522 0.000) 2.522 7.232 ( 0.000 2.297 0.000) 2.297 7.232 ( 0.000 2.297 0.000) 2.297 7.686 ( 0.000 3.767 0.000) 3.767 7.686 ( 0.000 3.767 0.000) 3.767 7.930 ( 0.000 0.044 0.000) 0.044 7.930 ( 0.000 0.044 0.000) 0.044 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 -2.114 -0.901) 2.298 0.771 ( 0.000 -2.114 0.901) 2.298 1.104 ( 0.000 -2.757 -1.423) 3.102 1.104 ( 0.000 -2.757 1.423) 3.102 1.329 ( 0.000 -0.018 -2.160) 2.160 1.329 ( 0.000 -0.018 2.160) 2.160 1.395 ( 0.000 -0.045 -0.748) 0.749 1.395 ( 0.000 -0.045 0.748) 0.749 1.797 ( 0.000 4.307 -2.295) 4.880 1.797 ( 0.000 4.307 2.295) 4.880 1.831 ( 0.000 4.813 -0.706) 4.864 1.831 ( 0.000 4.813 0.706) 4.864 2.296 ( 0.000 11.940 -0.669) 11.959 2.296 ( 0.000 11.940 0.669) 11.959 2.351 ( 0.000 9.459 -4.285) 10.384 2.351 ( 0.000 9.459 4.285) 10.384 2.469 ( 0.000 5.090 -0.870) 5.164 2.469 ( 0.000 5.090 0.870) 5.164 2.552 ( 0.000 4.812 -2.158) 5.274 2.552 ( 0.000 4.812 2.158) 5.274 2.622 ( 0.000 -3.264 -1.340) 3.528 2.622 ( 0.000 -3.264 1.340) 3.528 2.745 ( 0.000 5.235 -3.125) 6.097 2.745 ( 0.000 5.235 3.125) 6.097 2.827 ( 0.000 3.271 -1.109) 3.454 2.827 ( 0.000 3.271 1.109) 3.454 2.894 ( 0.000 0.998 -0.281) 1.037 2.894 ( 0.000 0.998 0.281) 1.037 3.016 ( 0.000 -6.069 -2.581) 6.595 3.016 ( 0.000 -6.069 2.581) 6.595 3.191 ( 0.000 -6.521 -11.103) 12.876 3.191 ( 0.000 -6.521 11.103) 12.876 3.204 ( 0.000 -1.351 -4.491) 4.690 3.204 ( 0.000 -1.351 4.491) 4.690 3.467 ( 0.000 2.674 -4.460) 5.201 3.467 ( 0.000 2.674 4.460) 5.201 3.694 ( 0.000 2.432 -1.872) 3.069 3.694 ( 0.000 2.432 1.872) 3.069 3.717 ( 0.000 -0.283 -0.592) 0.656 3.717 ( 0.000 -0.283 0.592) 0.656 3.820 ( 0.000 -3.107 -0.749) 3.196 3.820 ( 0.000 -3.107 0.749) 3.196 4.144 ( 0.000 4.855 -5.433) 7.286 4.144 ( 0.000 4.855 5.433) 7.286 4.179 ( 0.000 5.380 -0.510) 5.404 4.179 ( 0.000 5.380 0.510) 5.404 4.254 ( 0.000 -4.626 -0.378) 4.641 4.254 ( 0.000 -4.626 0.378) 4.641 4.379 ( 0.000 -1.847 -0.966) 2.085 4.379 ( 0.000 -1.847 0.966) 2.085 4.552 ( 0.000 3.182 -0.885) 3.303 4.552 ( 0.000 3.182 0.885) 3.303 4.658 ( 0.000 8.414 -1.240) 8.505 4.658 ( 0.000 8.414 1.240) 8.505 4.925 ( 0.000 1.248 -0.197) 1.264 4.925 ( 0.000 1.248 0.197) 1.264 5.071 ( 0.000 0.132 -2.912) 2.915 5.071 ( 0.000 0.132 2.912) 2.915 5.259 ( 0.000 -7.707 -0.815) 7.750 5.259 ( 0.000 -7.707 0.815) 7.750 5.826 ( 0.000 -2.182 -1.145) 2.464 5.826 ( 0.000 -2.182 1.145) 2.464 5.896 ( 0.000 -0.855 -2.079) 2.248 5.896 ( 0.000 -0.855 2.079) 2.248 5.902 ( 0.000 -1.443 -0.236) 1.463 5.902 ( 0.000 -1.443 0.236) 1.463 5.991 ( 0.000 -4.478 -0.863) 4.560 5.991 ( 0.000 -4.478 0.863) 4.560 6.218 ( 0.000 -4.278 -1.865) 4.667 6.218 ( 0.000 -4.278 1.865) 4.667 6.365 ( 0.000 -7.716 -0.714) 7.749 6.365 ( 0.000 -7.716 0.714) 7.749 6.421 ( 0.000 -4.537 -3.388) 5.662 6.421 ( 0.000 -4.537 3.388) 5.662 6.716 ( 0.000 -5.009 -5.592) 7.508 6.716 ( 0.000 -5.009 5.592) 7.508 7.243 ( 0.000 5.348 -0.616) 5.383 7.243 ( 0.000 5.348 0.616) 5.383 7.411 ( 0.000 1.371 -2.181) 2.576 7.411 ( 0.000 1.371 2.181) 2.576 7.650 ( 0.000 5.433 -0.716) 5.480 7.650 ( 0.000 5.433 0.716) 5.480 7.907 ( 0.000 -3.996 -0.306) 4.007 7.907 ( 0.000 -3.996 0.306) 4.007 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 4.900 -1.840 -2.002) 5.604 0.829 ( 4.900 -1.840 2.002) 5.604 1.096 ( -1.162 -3.118 -2.456) 4.136 1.096 ( -1.162 -3.118 2.456) 4.136 1.319 ( -0.414 0.120 -1.609) 1.666 1.319 ( -0.414 0.120 1.609) 1.666 1.378 ( -1.582 -0.242 -0.993) 1.883 1.378 ( -1.582 -0.242 0.993) 1.883 1.768 ( -1.323 6.508 -1.251) 6.757 1.768 ( -1.323 6.508 1.251) 6.757 1.873 ( 2.366 3.822 -0.958) 4.596 1.873 ( 2.366 3.822 0.958) 4.596 2.265 ( -1.574 10.065 -1.580) 10.309 2.265 ( -1.574 10.065 1.580) 10.309 2.371 ( 0.987 9.492 -2.261) 9.807 2.371 ( 0.987 9.492 2.261) 9.807 2.451 ( -3.655 5.434 -1.512) 6.721 2.451 ( -3.655 5.434 1.512) 6.721 2.559 ( 2.453 4.378 -0.923) 5.103 2.559 ( 2.453 4.378 0.923) 5.103 2.650 ( 2.916 -2.260 -1.450) 3.964 2.650 ( 2.916 -2.260 1.450) 3.964 2.748 ( 0.206 8.691 -2.133) 8.951 2.748 ( 0.206 8.691 2.133) 8.951 2.825 ( 0.127 -1.428 -4.705) 4.918 2.825 ( 0.127 -1.428 4.705) 4.918 2.906 ( 0.518 -0.019 -1.739) 1.814 2.906 ( 0.518 -0.019 1.739) 1.814 2.935 ( -6.048 -3.625 -1.551) 7.220 2.935 ( -6.048 -3.625 1.551) 7.220 3.083 ( -4.807 -2.930 -4.301) 7.085 3.083 ( -4.807 -2.930 4.301) 7.085 3.271 ( 0.738 -5.475 -5.395) 7.722 3.271 ( 0.738 -5.475 5.395) 7.722 3.525 ( 3.705 0.677 -2.763) 4.671 3.525 ( 3.705 0.677 2.763) 4.671 3.645 ( -1.196 1.015 -2.825) 3.232 3.645 ( -1.196 1.015 2.825) 3.232 3.696 ( -0.315 3.933 -1.572) 4.247 3.696 ( -0.315 3.933 1.572) 4.247 3.961 ( 7.917 -1.168 -1.322) 8.112 3.961 ( 7.917 -1.168 1.322) 8.112 4.122 ( -0.601 3.159 -2.561) 4.111 4.122 ( -0.601 3.159 2.561) 4.111 4.206 ( 1.263 6.425 -0.582) 6.574 4.206 ( 1.263 6.425 0.582) 6.574 4.265 ( 0.069 -2.762 -1.053) 2.957 4.265 ( 0.069 -2.762 1.053) 2.957 4.338 ( -2.909 -2.317 -1.538) 4.025 4.338 ( -2.909 -2.317 1.538) 4.025 4.493 ( -2.899 2.792 -1.981) 4.486 4.493 ( -2.899 2.792 1.981) 4.486 4.739 ( 4.978 6.117 -2.411) 8.247 4.739 ( 4.978 6.117 2.411) 8.247 4.894 ( -2.577 2.589 -1.843) 4.091 4.894 ( -2.577 2.589 1.843) 4.091 5.095 ( 1.845 -0.986 -1.500) 2.574 5.095 ( 1.845 -0.986 1.500) 2.574 5.243 ( -1.386 -7.987 -1.003) 8.169 5.243 ( -1.386 -7.987 1.003) 8.169 5.841 ( 1.186 -2.506 -1.199) 3.020 5.841 ( 1.186 -2.506 1.199) 3.020 5.891 ( -0.358 -1.723 -0.657) 1.879 5.891 ( -0.358 -1.723 0.657) 1.879 5.914 ( 1.037 -1.480 -1.114) 2.123 5.914 ( 1.037 -1.480 1.114) 2.123 5.985 ( -0.686 -4.106 -1.101) 4.306 5.985 ( -0.686 -4.106 1.101) 4.306 6.225 ( 0.649 -4.538 -2.071) 5.030 6.225 ( 0.649 -4.538 2.071) 5.030 6.309 ( -3.297 -7.536 -2.474) 8.589 6.309 ( -3.297 -7.536 2.474) 8.589 6.486 ( 4.384 -4.081 -2.895) 6.653 6.486 ( 4.384 -4.081 2.895) 6.653 6.680 ( -3.471 -4.600 -4.994) 7.625 6.680 ( -3.471 -4.600 4.994) 7.625 7.231 ( -0.478 5.116 -1.323) 5.306 7.231 ( -0.478 5.116 1.323) 5.306 7.354 ( -4.256 1.992 -0.189) 4.703 7.354 ( -4.256 1.992 0.189) 4.703 7.706 ( 3.894 4.111 -1.628) 5.892 7.706 ( 3.894 4.111 1.628) 5.892 7.910 ( 0.103 -3.085 -1.033) 3.255 7.910 ( 0.103 -3.085 1.033) 3.255 ======================= Grid point 184 (60/63) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 -1.266 -0.000) 1.266 0.906 ( 0.000 -1.266 0.000) 1.266 1.066 ( 0.000 -3.589 -0.000) 3.589 1.066 ( 0.000 -3.589 0.000) 3.589 1.327 ( -0.000 -0.070 0.000) 0.070 1.327 ( 0.000 -0.070 0.000) 0.070 1.346 ( -0.000 -0.296 0.000) 0.296 1.346 ( 0.000 -0.296 0.000) 0.296 1.754 ( 0.000 7.775 0.000) 7.775 1.754 ( 0.000 7.775 0.000) 7.775 1.902 ( 0.000 3.899 0.000) 3.899 1.902 ( 0.000 3.899 0.000) 3.899 2.252 ( 0.000 8.231 -0.000) 8.231 2.252 ( 0.000 8.231 0.000) 8.231 2.382 ( 0.000 7.123 -0.000) 7.123 2.382 ( 0.000 7.123 0.000) 7.123 2.391 ( -0.000 8.675 -0.000) 8.675 2.391 ( -0.000 8.675 0.000) 8.675 2.596 ( 0.000 1.412 -0.000) 1.412 2.596 ( 0.000 1.412 0.000) 1.412 2.725 ( 0.000 7.889 -0.000) 7.889 2.725 ( 0.000 7.889 0.000) 7.889 2.763 ( -0.000 -1.704 -0.000) 1.704 2.763 ( -0.000 -1.704 0.000) 1.704 2.772 ( 0.000 1.197 -0.000) 1.197 2.772 ( 0.000 1.197 0.000) 1.197 2.860 ( 0.000 -0.284 -0.000) 0.284 2.860 ( 0.000 -0.284 0.000) 0.284 2.942 ( 0.000 -3.668 0.000) 3.668 2.942 ( 0.000 -3.668 0.000) 3.668 3.005 ( -0.000 -2.073 -0.000) 2.073 3.005 ( 0.000 -2.073 0.000) 2.073 3.271 ( 0.000 -5.125 0.000) 5.125 3.271 ( 0.000 -5.125 0.000) 5.125 3.549 ( 0.000 -4.035 -0.000) 4.035 3.549 ( 0.000 -4.035 0.000) 4.035 3.668 ( 0.000 7.855 -0.000) 7.855 3.668 ( 0.000 7.855 0.000) 7.855 3.692 ( 0.000 1.915 -0.000) 1.915 3.692 ( 0.000 1.915 0.000) 1.915 4.038 ( 0.000 3.926 -0.000) 3.926 4.038 ( 0.000 3.926 0.000) 3.926 4.172 ( 0.000 5.908 -0.000) 5.908 4.172 ( -0.000 5.908 0.000) 5.908 4.176 ( 0.000 -2.395 -0.000) 2.395 4.176 ( 0.000 -2.395 0.000) 2.395 4.248 ( 0.000 1.752 -0.000) 1.752 4.248 ( 0.000 1.752 0.000) 1.752 4.319 ( 0.000 -4.364 0.000) 4.364 4.319 ( 0.000 -4.364 0.000) 4.364 4.460 ( 0.000 2.479 -0.000) 2.479 4.460 ( 0.000 2.479 0.000) 2.479 4.818 ( 0.000 5.432 -0.000) 5.432 4.818 ( 0.000 5.432 0.000) 5.432 4.840 ( -0.000 3.027 -0.000) 3.027 4.840 ( -0.000 3.027 0.000) 3.027 5.121 ( 0.000 -1.336 -0.000) 1.336 5.121 ( 0.000 -1.336 0.000) 1.336 5.221 ( 0.000 -8.729 -0.000) 8.729 5.221 ( 0.000 -8.729 0.000) 8.729 5.857 ( 0.000 -2.943 -0.000) 2.943 5.857 ( 0.000 -2.943 0.000) 2.943 5.886 ( 0.000 -1.422 -0.000) 1.422 5.886 ( 0.000 -1.422 0.000) 1.422 5.934 ( 0.000 -3.615 -0.000) 3.615 5.934 ( 0.000 -3.615 0.000) 3.615 5.970 ( 0.000 -2.700 0.000) 2.700 5.970 ( 0.000 -2.700 0.000) 2.700 6.244 ( 0.000 -4.209 -0.000) 4.209 6.244 ( 0.000 -4.209 0.000) 4.209 6.259 ( 0.000 -8.106 -0.000) 8.106 6.259 ( 0.000 -8.106 0.000) 8.106 6.577 ( 0.000 -2.186 -0.000) 2.186 6.577 ( -0.000 -2.186 0.000) 2.186 6.594 ( 0.000 -5.339 -0.000) 5.339 6.594 ( 0.000 -5.339 0.000) 5.339 7.237 ( -0.000 4.521 -0.000) 4.521 7.237 ( 0.000 4.521 0.000) 4.521 7.291 ( 0.000 2.561 0.000) 2.561 7.291 ( 0.000 2.561 0.000) 2.561 7.755 ( 0.000 2.969 0.000) 2.969 7.755 ( 0.000 2.969 0.000) 2.969 7.909 ( 0.000 -2.043 0.000) 2.043 7.909 ( 0.000 -2.043 0.000) 2.043 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 -0.886 -0.325) 0.944 0.739 ( 0.000 -0.886 0.325) 0.944 1.062 ( 0.000 -1.244 -0.416) 1.312 1.062 ( 0.000 -1.244 0.416) 1.312 1.321 ( 0.000 -0.417 -0.955) 1.042 1.321 ( 0.000 -0.417 0.955) 1.042 1.389 ( 0.000 -0.320 -0.327) 0.458 1.389 ( 0.000 -0.320 0.327) 0.458 1.856 ( 0.000 1.603 -1.608) 2.271 1.856 ( 0.000 1.603 1.608) 2.271 1.894 ( 0.000 1.469 -1.001) 1.778 1.894 ( 0.000 1.469 1.001) 1.778 2.438 ( 0.000 3.605 -0.329) 3.620 2.438 ( 0.000 3.605 0.329) 3.620 2.510 ( 0.000 1.738 -0.835) 1.929 2.510 ( 0.000 1.738 0.835) 1.929 2.548 ( 0.000 1.107 -2.686) 2.905 2.548 ( 0.000 1.107 2.686) 2.905 2.612 ( 0.000 5.768 -3.893) 6.959 2.612 ( 0.000 5.768 3.893) 6.959 2.651 ( 0.000 5.243 -0.789) 5.302 2.651 ( 0.000 5.243 0.789) 5.302 2.756 ( 0.000 0.852 -2.685) 2.817 2.756 ( 0.000 0.852 2.685) 2.817 2.850 ( 0.000 -8.579 -1.957) 8.800 2.850 ( 0.000 -8.579 1.957) 8.800 2.935 ( 0.000 2.596 -2.473) 3.586 2.935 ( 0.000 2.596 2.473) 3.586 3.021 ( 0.000 -1.677 -4.221) 4.542 3.021 ( 0.000 -1.677 4.221) 4.542 3.087 ( 0.000 7.664 -2.437) 8.042 3.087 ( 0.000 7.664 2.437) 8.042 3.152 ( 0.000 -2.200 -0.449) 2.246 3.152 ( 0.000 -2.200 0.449) 2.246 3.406 ( 0.000 -10.458 -3.396) 10.995 3.406 ( 0.000 -10.458 3.396) 10.995 3.630 ( 0.000 1.443 -3.742) 4.011 3.630 ( 0.000 1.443 3.742) 4.011 3.733 ( 0.000 -3.614 -2.133) 4.196 3.733 ( 0.000 -3.614 2.133) 4.196 3.888 ( 0.000 7.424 -0.455) 7.438 3.888 ( 0.000 7.424 0.455) 7.438 4.081 ( 0.000 -6.121 -0.286) 6.127 4.081 ( 0.000 -6.121 0.286) 6.127 4.180 ( 0.000 -0.327 -0.085) 0.338 4.180 ( 0.000 -0.327 0.085) 0.338 4.311 ( 0.000 0.159 -0.248) 0.294 4.311 ( 0.000 0.159 0.248) 0.294 4.390 ( 0.000 4.337 -4.797) 6.467 4.390 ( 0.000 4.337 4.797) 6.467 4.559 ( 0.000 -1.213 -1.940) 2.288 4.559 ( 0.000 -1.213 1.940) 2.288 4.866 ( 0.000 10.441 -1.468) 10.543 4.866 ( 0.000 10.441 1.468) 10.543 4.975 ( 0.000 3.812 -1.225) 4.004 4.975 ( 0.000 3.812 1.225) 4.004 5.037 ( 0.000 -4.280 -2.429) 4.921 5.037 ( 0.000 -4.280 2.429) 4.921 5.091 ( 0.000 -8.140 -1.529) 8.283 5.091 ( 0.000 -8.140 1.529) 8.283 5.806 ( 0.000 0.143 -0.676) 0.691 5.806 ( 0.000 0.143 0.676) 0.691 5.850 ( 0.000 -0.461 -1.959) 2.013 5.850 ( 0.000 -0.461 1.959) 2.013 5.901 ( 0.000 -3.188 -0.028) 3.188 5.901 ( 0.000 -3.188 0.028) 3.188 5.965 ( 0.000 2.152 -0.131) 2.156 5.965 ( 0.000 2.152 0.131) 2.156 6.157 ( 0.000 -1.891 -0.770) 2.042 6.157 ( 0.000 -1.891 0.770) 2.042 6.256 ( 0.000 -2.736 -0.302) 2.753 6.256 ( 0.000 -2.736 0.302) 2.753 6.362 ( 0.000 -1.568 -0.886) 1.801 6.362 ( 0.000 -1.568 0.886) 1.801 6.649 ( 0.000 -1.721 -1.896) 2.561 6.649 ( 0.000 -1.721 1.896) 2.561 7.341 ( 0.000 4.009 -3.135) 5.089 7.341 ( 0.000 4.009 3.135) 5.089 7.407 ( 0.000 -1.574 -3.348) 3.700 7.407 ( 0.000 -1.574 3.348) 3.700 7.737 ( 0.000 3.460 -0.918) 3.579 7.737 ( 0.000 3.460 0.918) 3.579 7.828 ( 0.000 -3.580 -0.147) 3.583 7.828 ( 0.000 -3.580 0.147) 3.583 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 5.850 -0.438 -0.973) 5.946 0.807 ( 5.850 -0.438 0.973) 5.946 1.044 ( -2.100 -1.679 -1.032) 2.880 1.044 ( -2.100 -1.679 1.032) 2.880 1.314 ( -0.257 -0.305 -0.705) 0.810 1.314 ( -0.257 -0.305 0.705) 0.810 1.369 ( -1.772 -0.391 -0.431) 1.865 1.369 ( -1.772 -0.391 0.431) 1.865 1.869 ( 1.117 3.371 -1.315) 3.787 1.869 ( 1.117 3.371 1.315) 3.787 1.915 ( 1.688 0.421 -1.311) 2.179 1.915 ( 1.688 0.421 1.311) 2.179 2.416 ( -1.722 5.520 -0.832) 5.842 2.416 ( -1.722 5.520 0.832) 5.842 2.517 ( -1.516 0.156 -3.822) 4.115 2.517 ( -1.516 0.156 3.822) 4.115 2.533 ( -0.562 3.100 -2.381) 3.949 2.533 ( -0.562 3.100 2.381) 3.949 2.586 ( -2.065 1.535 -2.420) 3.532 2.586 ( -2.065 1.535 2.420) 3.532 2.664 ( 2.121 4.454 -0.681) 4.980 2.664 ( 2.121 4.454 0.681) 4.980 2.745 ( -0.139 -3.054 -1.326) 3.333 2.745 ( -0.139 -3.054 1.326) 3.333 2.823 ( -1.061 -4.583 -1.093) 4.830 2.823 ( -1.061 -4.583 1.093) 4.830 2.939 ( -0.130 3.852 -2.593) 4.645 2.939 ( -0.130 3.852 2.593) 4.645 3.010 ( -0.961 1.242 -1.915) 2.477 3.010 ( -0.961 1.242 1.915) 2.477 3.061 ( -3.195 6.808 -1.437) 7.657 3.061 ( -3.195 6.808 1.437) 7.657 3.152 ( 0.641 -2.704 -3.654) 4.591 3.152 ( 0.641 -2.704 3.654) 4.591 3.384 ( -1.615 -12.021 -2.616) 12.408 3.384 ( -1.615 -12.021 2.616) 12.408 3.682 ( 4.176 3.430 -2.799) 6.086 3.682 ( 4.176 3.430 2.799) 6.086 3.763 ( 1.265 -1.309 -1.623) 2.439 3.763 ( 1.265 -1.309 1.623) 2.439 3.963 ( 6.593 3.325 -1.054) 7.459 3.963 ( 6.593 3.325 1.054) 7.459 4.103 ( 2.203 -3.796 -1.351) 4.592 4.103 ( 2.203 -3.796 1.351) 4.592 4.182 ( 0.104 -1.177 -0.886) 1.477 4.182 ( 0.104 -1.177 0.886) 1.477 4.302 ( -2.004 -0.359 -0.546) 2.108 4.302 ( -2.004 -0.359 0.546) 2.108 4.377 ( -0.279 5.035 -3.012) 5.874 4.377 ( -0.279 5.035 3.012) 5.874 4.515 ( -3.467 -0.646 -1.450) 3.813 4.515 ( -3.467 -0.646 1.450) 3.813 4.883 ( 1.310 7.487 -1.978) 7.854 4.883 ( 1.310 7.487 1.978) 7.854 4.965 ( -1.053 4.416 -2.016) 4.967 4.965 ( -1.053 4.416 2.016) 4.967 5.040 ( 0.471 -5.292 -1.799) 5.609 5.040 ( 0.471 -5.292 1.799) 5.609 5.087 ( -0.520 -6.393 -1.652) 6.623 5.087 ( -0.520 -6.393 1.652) 6.623 5.819 ( 1.016 0.409 -0.490) 1.200 5.819 ( 1.016 0.409 0.490) 1.200 5.855 ( 0.491 -0.690 -1.711) 1.909 5.855 ( 0.491 -0.690 1.711) 1.909 5.904 ( 0.284 -2.896 -0.615) 2.974 5.904 ( 0.284 -2.896 0.615) 2.974 5.948 ( -1.523 1.399 -0.443) 2.115 5.948 ( -1.523 1.399 0.443) 2.115 6.156 ( -0.037 -1.959 -0.910) 2.161 6.156 ( -0.037 -1.959 0.910) 2.161 6.208 ( -2.786 -2.585 -1.120) 3.962 6.208 ( -2.786 -2.585 1.120) 3.962 6.432 ( 4.967 -1.350 -1.117) 5.267 6.432 ( 4.967 -1.350 1.117) 5.267 6.620 ( -2.837 -1.513 -1.788) 3.679 6.620 ( -2.837 -1.513 1.788) 3.679 7.319 ( -1.506 3.436 -2.633) 4.583 7.319 ( -1.506 3.436 2.633) 4.583 7.364 ( -3.118 -0.887 -2.071) 3.847 7.364 ( -3.118 -0.887 2.071) 3.847 7.774 ( 2.598 2.943 -1.136) 4.087 7.774 ( 2.598 2.943 1.136) 4.087 7.844 ( 1.169 -3.209 -0.321) 3.430 7.844 ( 1.169 -3.209 0.321) 3.430 ======================= Grid point 194 (63/63) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 2.195 -0.000) 2.195 0.915 ( 0.000 2.195 0.000) 2.195 0.984 ( -0.000 -4.275 -0.000) 4.275 0.984 ( -0.000 -4.275 0.000) 4.275 1.325 ( -0.000 0.060 0.000) 0.060 1.325 ( 0.000 0.060 0.000) 0.060 1.333 ( -0.000 -0.747 0.000) 0.747 1.333 ( 0.000 -0.747 0.000) 0.747 1.885 ( 0.000 4.990 -0.000) 4.990 1.885 ( 0.000 4.990 0.000) 4.990 1.939 ( 0.000 -0.344 0.000) 0.344 1.939 ( 0.000 -0.344 0.000) 0.344 2.390 ( 0.000 6.305 -0.000) 6.305 2.390 ( 0.000 6.305 0.000) 6.305 2.486 ( -0.000 0.837 -0.000) 0.837 2.486 ( 0.000 0.837 0.000) 0.837 2.540 ( -0.000 -2.051 -0.000) 2.051 2.540 ( -0.000 -2.051 0.000) 2.051 2.541 ( 0.000 4.060 -0.000) 4.060 2.541 ( 0.000 4.060 0.000) 4.060 2.715 ( -0.000 -1.344 -0.000) 1.344 2.715 ( 0.000 -1.344 0.000) 1.344 2.737 ( 0.000 -1.216 -0.000) 1.216 2.737 ( 0.000 -1.216 0.000) 1.216 2.870 ( -0.000 -0.381 -0.000) 0.381 2.870 ( -0.000 -0.381 0.000) 0.381 2.874 ( 0.000 0.339 -0.000) 0.339 2.874 ( 0.000 0.339 0.000) 0.339 2.996 ( -0.000 2.534 -0.000) 2.534 2.996 ( 0.000 2.534 0.000) 2.534 3.024 ( 0.000 9.388 -0.000) 9.388 3.024 ( 0.000 9.388 0.000) 9.388 3.160 ( 0.000 -1.775 0.000) 1.775 3.160 ( 0.000 -1.775 0.000) 1.775 3.364 ( 0.000 -12.927 -0.000) 12.927 3.364 ( 0.000 -12.927 0.000) 12.927 3.742 ( 0.000 2.472 -0.000) 2.472 3.742 ( 0.000 2.472 0.000) 2.472 3.767 ( -0.000 1.090 0.000) 1.090 3.767 ( 0.000 1.090 0.000) 1.090 4.069 ( 0.000 1.521 -0.000) 1.521 4.069 ( 0.000 1.521 0.000) 1.521 4.140 ( 0.000 -5.275 0.000) 5.275 4.140 ( 0.000 -5.275 0.000) 5.275 4.190 ( -0.000 3.217 0.000) 3.217 4.190 ( -0.000 3.217 0.000) 3.217 4.238 ( 0.000 -0.620 -0.000) 0.620 4.238 ( 0.000 -0.620 0.000) 0.620 4.388 ( 0.000 5.205 -0.000) 5.205 4.388 ( 0.000 5.205 0.000) 5.205 4.464 ( 0.000 -2.163 0.000) 2.163 4.464 ( 0.000 -2.163 0.000) 2.163 4.902 ( 0.000 4.128 -0.000) 4.128 4.902 ( 0.000 4.128 0.000) 4.128 4.947 ( 0.000 5.626 -0.000) 5.626 4.947 ( 0.000 5.626 0.000) 5.626 5.049 ( 0.000 -6.991 -0.000) 6.991 5.049 ( 0.000 -6.991 0.000) 6.991 5.077 ( 0.000 -3.654 -0.000) 3.654 5.077 ( 0.000 -3.654 0.000) 3.654 5.832 ( 0.000 0.906 0.000) 0.906 5.832 ( 0.000 0.906 0.000) 0.906 5.867 ( 0.000 -1.523 -0.000) 1.523 5.867 ( 0.000 -1.523 0.000) 1.523 5.907 ( 0.000 -0.004 -0.000) 0.004 5.907 ( 0.000 -0.004 0.000) 0.004 5.923 ( 0.000 -1.648 0.000) 1.648 5.923 ( 0.000 -1.648 0.000) 1.648 6.158 ( 0.000 -1.739 -0.000) 1.739 6.158 ( 0.000 -1.739 0.000) 1.739 6.174 ( 0.000 -2.655 -0.000) 2.655 6.174 ( 0.000 -2.655 0.000) 2.655 6.533 ( -0.000 -1.010 -0.000) 1.010 6.533 ( -0.000 -1.010 0.000) 1.010 6.541 ( 0.000 -1.389 -0.000) 1.389 6.541 ( 0.000 -1.389 0.000) 1.389 7.305 ( -0.000 2.132 -0.000) 2.132 7.305 ( 0.000 2.132 0.000) 2.132 7.321 ( 0.000 0.427 0.000) 0.427 7.321 ( 0.000 0.427 0.000) 0.427 7.807 ( 0.000 2.442 -0.000) 2.442 7.807 ( 0.000 2.442 0.000) 2.442 7.858 ( 0.000 -2.779 0.000) 2.779 7.858 ( 0.000 -2.779 0.000) 2.779 =================== 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 3/17472 10.0 44.864 81.209 74.231 0.000 0.000 -0.000 3/17472 20.0 10.293 21.695 16.181 0.000 0.000 -0.000 3/17472 30.0 4.910 10.894 7.460 0.000 0.000 -0.000 3/17472 40.0 3.147 7.321 4.660 0.000 0.000 -0.000 3/17472 50.0 2.327 5.629 3.363 0.000 0.000 -0.000 3/17472 60.0 1.862 4.648 2.630 0.000 0.000 -0.000 3/17472 70.0 1.563 4.003 2.164 0.000 0.000 -0.000 3/17472 80.0 1.354 3.541 1.842 0.000 0.000 -0.000 3/17472 90.0 1.199 3.189 1.607 0.000 0.000 -0.000 3/17472 100.0 1.078 2.908 1.427 0.000 0.000 -0.000 3/17472 110.0 0.981 2.677 1.286 0.000 0.000 -0.000 3/17472 120.0 0.901 2.482 1.171 0.000 0.000 -0.000 3/17472 130.0 0.834 2.314 1.076 0.000 0.000 -0.000 3/17472 140.0 0.776 2.168 0.996 0.000 0.000 -0.000 3/17472 150.0 0.726 2.040 0.927 0.000 0.000 -0.000 3/17472 160.0 0.682 1.926 0.867 0.000 0.000 -0.000 3/17472 170.0 0.643 1.824 0.815 0.000 0.000 -0.000 3/17472 180.0 0.609 1.732 0.769 0.000 0.000 -0.000 3/17472 190.0 0.578 1.648 0.728 0.000 0.000 -0.000 3/17472 200.0 0.550 1.573 0.691 0.000 0.000 -0.000 3/17472 210.0 0.525 1.504 0.658 0.000 0.000 -0.000 3/17472 220.0 0.501 1.440 0.628 0.000 0.000 -0.000 3/17472 230.0 0.480 1.382 0.600 0.000 0.000 -0.000 3/17472 240.0 0.461 1.328 0.575 0.000 0.000 -0.000 3/17472 250.0 0.443 1.278 0.552 0.000 0.000 -0.000 3/17472 260.0 0.426 1.231 0.531 0.000 0.000 -0.000 3/17472 270.0 0.411 1.188 0.511 0.000 0.000 -0.000 3/17472 280.0 0.396 1.148 0.493 0.000 0.000 -0.000 3/17472 290.0 0.383 1.110 0.476 0.000 0.000 -0.000 3/17472 300.0 0.371 1.075 0.460 0.000 0.000 -0.000 3/17472 310.0 0.359 1.042 0.445 0.000 0.000 -0.000 3/17472 320.0 0.348 1.010 0.431 0.000 0.000 -0.000 3/17472 330.0 0.338 0.981 0.418 0.000 0.000 -0.000 3/17472 340.0 0.328 0.953 0.406 0.000 0.000 -0.000 3/17472 350.0 0.319 0.927 0.394 0.000 0.000 -0.000 3/17472 360.0 0.310 0.902 0.383 0.000 0.000 -0.000 3/17472 370.0 0.302 0.878 0.373 0.000 0.000 -0.000 3/17472 380.0 0.294 0.856 0.363 0.000 0.000 -0.000 3/17472 390.0 0.286 0.835 0.354 0.000 0.000 -0.000 3/17472 400.0 0.279 0.814 0.345 0.000 0.000 -0.000 3/17472 410.0 0.273 0.795 0.337 0.000 0.000 -0.000 3/17472 420.0 0.266 0.777 0.329 0.000 0.000 -0.000 3/17472 430.0 0.260 0.759 0.321 0.000 0.000 -0.000 3/17472 440.0 0.254 0.742 0.314 0.000 0.000 -0.000 3/17472 450.0 0.249 0.726 0.307 0.000 0.000 -0.000 3/17472 460.0 0.243 0.711 0.300 0.000 0.000 -0.000 3/17472 470.0 0.238 0.696 0.294 0.000 0.000 -0.000 3/17472 480.0 0.233 0.682 0.288 0.000 0.000 -0.000 3/17472 490.0 0.229 0.668 0.282 0.000 0.000 -0.000 3/17472 500.0 0.224 0.655 0.276 0.000 0.000 -0.000 3/17472 510.0 0.220 0.642 0.271 0.000 0.000 -0.000 3/17472 520.0 0.215 0.630 0.266 0.000 0.000 -0.000 3/17472 530.0 0.211 0.619 0.261 0.000 0.000 -0.000 3/17472 540.0 0.208 0.607 0.256 0.000 0.000 -0.000 3/17472 550.0 0.204 0.596 0.251 0.000 0.000 -0.000 3/17472 560.0 0.200 0.586 0.247 0.000 0.000 -0.000 3/17472 570.0 0.197 0.576 0.242 0.000 0.000 -0.000 3/17472 580.0 0.193 0.566 0.238 0.000 0.000 -0.000 3/17472 590.0 0.190 0.557 0.234 0.000 0.000 -0.000 3/17472 600.0 0.187 0.547 0.230 0.000 0.000 -0.000 3/17472 610.0 0.184 0.539 0.226 0.000 0.000 -0.000 3/17472 620.0 0.181 0.530 0.223 0.000 0.000 -0.000 3/17472 630.0 0.178 0.522 0.219 0.000 0.000 -0.000 3/17472 640.0 0.175 0.514 0.216 0.000 0.000 -0.000 3/17472 650.0 0.173 0.506 0.213 0.000 0.000 -0.000 3/17472 660.0 0.170 0.498 0.209 0.000 0.000 -0.000 3/17472 670.0 0.168 0.491 0.206 0.000 0.000 -0.000 3/17472 680.0 0.165 0.484 0.203 0.000 0.000 -0.000 3/17472 690.0 0.163 0.477 0.200 0.000 0.000 -0.000 3/17472 700.0 0.160 0.470 0.197 0.000 0.000 -0.000 3/17472 710.0 0.158 0.464 0.195 0.000 0.000 -0.000 3/17472 720.0 0.156 0.457 0.192 0.000 0.000 -0.000 3/17472 730.0 0.154 0.451 0.189 0.000 0.000 -0.000 3/17472 740.0 0.152 0.445 0.187 0.000 0.000 -0.000 3/17472 750.0 0.150 0.439 0.184 0.000 0.000 -0.000 3/17472 760.0 0.148 0.433 0.182 0.000 0.000 -0.000 3/17472 770.0 0.146 0.428 0.179 0.000 0.000 -0.000 3/17472 780.0 0.144 0.422 0.177 0.000 0.000 -0.000 3/17472 790.0 0.142 0.417 0.175 0.000 0.000 -0.000 3/17472 800.0 0.140 0.412 0.173 0.000 0.000 -0.000 3/17472 810.0 0.139 0.407 0.171 0.000 0.000 -0.000 3/17472 820.0 0.137 0.402 0.169 0.000 0.000 -0.000 3/17472 830.0 0.135 0.397 0.166 0.000 0.000 -0.000 3/17472 840.0 0.134 0.392 0.165 0.000 0.000 -0.000 3/17472 850.0 0.132 0.388 0.163 0.000 0.000 -0.000 3/17472 860.0 0.131 0.383 0.161 0.000 0.000 -0.000 3/17472 870.0 0.129 0.379 0.159 0.000 0.000 -0.000 3/17472 880.0 0.128 0.375 0.157 0.000 0.000 -0.000 3/17472 890.0 0.126 0.371 0.155 0.000 0.000 -0.000 3/17472 900.0 0.125 0.366 0.154 0.000 0.000 -0.000 3/17472 910.0 0.124 0.362 0.152 0.000 0.000 -0.000 3/17472 920.0 0.122 0.359 0.150 0.000 0.000 -0.000 3/17472 930.0 0.121 0.355 0.149 0.000 0.000 -0.000 3/17472 940.0 0.120 0.351 0.147 0.000 0.000 -0.000 3/17472 950.0 0.118 0.347 0.145 0.000 0.000 -0.000 3/17472 960.0 0.117 0.344 0.144 0.000 0.000 -0.000 3/17472 970.0 0.116 0.340 0.142 0.000 0.000 -0.000 3/17472 980.0 0.115 0.337 0.141 0.000 0.000 -0.000 3/17472 990.0 0.114 0.333 0.140 0.000 0.000 -0.000 3/17472 1000.0 0.112 0.330 0.138 0.000 0.000 -0.000 3/17472 Thermal conductivity related properties were written into "kappa-m4134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:46:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|