----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:22:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.041240347248488 0.000000000000000 0.000000000000000 b -3.020620173624244 5.231867611084714 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): *1 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 *2 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 3 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 4 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 5 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 6 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 *7 Ga 0.33419739326418 0.33419739326418 0.50328608627373 69.723 8 Ga 0.66580260673582 0.66580260673582 0.00328608627374 69.723 9 Ga 0.00000000000000 0.66580260673582 0.50328608627373 69.723 10 Ga 0.00000000000000 0.33419739326418 0.00328608627374 69.723 11 Ga 0.33419739326418 0.00000000000000 0.00328608627374 69.723 12 Ga 0.66580260673582 0.00000000000000 0.50328608627373 69.723 *13 O 0.30558231198547 0.30558231198547 0.34049631641169 15.999 *14 O 0.36039462755592 0.36039462755592 0.66495690185585 15.999 15 O 0.63960537244408 0.63960537244408 0.16495690185585 15.999 16 O 0.69441768801453 0.69441768801453 0.84049631641169 15.999 *17 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 18 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 *19 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 20 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 21 O 0.00000000000000 0.69441768801453 0.34049631641169 15.999 22 O 0.00000000000000 0.63960537244408 0.66495690185585 15.999 23 O 0.30558231198547 0.00000000000000 0.84049631641169 15.999 24 O 0.00000000000000 0.36039462755592 0.16495690185585 15.999 25 O 0.00000000000000 0.30558231198547 0.84049631641169 15.999 26 O 0.36039462755592 0.00000000000000 0.16495690185585 15.999 27 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 28 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 29 O 0.63960537244408 0.00000000000000 0.66495690185585 15.999 30 O 0.69441768801453 0.00000000000000 0.34049631641169 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.041240347248488 0.000000000000000 0.000000000000000 b -3.020620173624244 5.231867611084714 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): *1 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 > 1 *2 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 > 2 3 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 > 3 4 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 > 4 5 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 > 5 6 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 > 6 *7 Ga 0.33419739326418 0.33419739326418 0.50328608627373 69.723 > 7 8 Ga 0.66580260673582 0.66580260673582 0.00328608627374 69.723 > 8 9 Ga 0.00000000000000 0.66580260673582 0.50328608627373 69.723 > 9 10 Ga 0.00000000000000 0.33419739326418 0.00328608627374 69.723 > 10 11 Ga 0.33419739326418 0.00000000000000 0.00328608627374 69.723 > 11 12 Ga 0.66580260673582 0.00000000000000 0.50328608627373 69.723 > 12 *13 O 0.30558231198547 0.30558231198547 0.34049631641169 15.999 > 13 *14 O 0.36039462755592 0.36039462755592 0.66495690185585 15.999 > 14 15 O 0.63960537244408 0.63960537244408 0.16495690185585 15.999 > 15 16 O 0.69441768801453 0.69441768801453 0.84049631641169 15.999 > 16 *17 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 > 17 18 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 > 18 *19 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 > 19 20 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 > 20 21 O 0.00000000000000 0.69441768801453 0.34049631641169 15.999 > 21 22 O 0.00000000000000 0.63960537244408 0.66495690185585 15.999 > 22 23 O 0.30558231198547 0.00000000000000 0.84049631641169 15.999 > 23 24 O 0.00000000000000 0.36039462755592 0.16495690185585 15.999 > 24 25 O 0.00000000000000 0.30558231198547 0.84049631641169 15.999 > 25 26 O 0.36039462755592 0.00000000000000 0.16495690185585 15.999 > 26 27 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 > 27 28 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 > 28 29 O 0.63960537244408 0.00000000000000 0.66495690185585 15.999 > 29 30 O 0.69441768801453 0.00000000000000 0.34049631641169 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.082480694496976 0.000000000000000 0.000000000000000 b -6.041240347248488 10.463735222169428 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): *1 Dy 0.33333333333333 0.16666666666667 0.77082842810799 162.500 > 1 2 Dy 0.83333333333333 0.16666666666667 0.77082842810799 162.500 > 1 3 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 > 1 4 Dy 0.83333333333333 0.66666666666667 0.77082842810799 162.500 > 1 *5 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 > 2 6 Dy 0.50000000000000 0.00000000000000 0.72822595536092 162.500 > 2 7 Dy 0.00000000000000 0.50000000000000 0.72822595536092 162.500 > 2 8 Dy 0.50000000000000 0.50000000000000 0.72822595536092 162.500 > 2 9 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 > 3 10 Dy 0.50000000000000 0.00000000000000 0.22822595536092 162.500 > 3 11 Dy 0.00000000000000 0.50000000000000 0.22822595536092 162.500 > 3 12 Dy 0.50000000000000 0.50000000000000 0.22822595536092 162.500 > 3 13 Dy 0.33333333333333 0.16666666666667 0.27082842810799 162.500 > 4 14 Dy 0.83333333333333 0.16666666666667 0.27082842810799 162.500 > 4 15 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 > 4 16 Dy 0.83333333333333 0.66666666666667 0.27082842810799 162.500 > 4 17 Dy 0.16666666666667 0.33333333333333 0.27082842810799 162.500 > 5 18 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 > 5 19 Dy 0.16666666666667 0.83333333333333 0.27082842810799 162.500 > 5 20 Dy 0.66666666666667 0.83333333333333 0.27082842810799 162.500 > 5 21 Dy 0.16666666666667 0.33333333333333 0.77082842810799 162.500 > 6 22 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 > 6 23 Dy 0.16666666666667 0.83333333333333 0.77082842810799 162.500 > 6 24 Dy 0.66666666666667 0.83333333333333 0.77082842810799 162.500 > 6 *25 Ga 0.16709869663209 0.16709869663209 0.50328608627373 69.723 > 7 26 Ga 0.66709869663209 0.16709869663209 0.50328608627373 69.723 > 7 27 Ga 0.16709869663209 0.66709869663209 0.50328608627373 69.723 > 7 28 Ga 0.66709869663209 0.66709869663209 0.50328608627373 69.723 > 7 29 Ga 0.33290130336791 0.33290130336791 0.00328608627374 69.723 > 8 30 Ga 0.83290130336791 0.33290130336791 0.00328608627374 69.723 > 8 31 Ga 0.33290130336791 0.83290130336791 0.00328608627374 69.723 > 8 32 Ga 0.83290130336791 0.83290130336791 0.00328608627374 69.723 > 8 33 Ga 0.00000000000000 0.33290130336791 0.50328608627373 69.723 > 9 34 Ga 0.50000000000000 0.33290130336791 0.50328608627373 69.723 > 9 35 Ga 0.00000000000000 0.83290130336791 0.50328608627373 69.723 > 9 36 Ga 0.50000000000000 0.83290130336791 0.50328608627373 69.723 > 9 37 Ga 0.00000000000000 0.16709869663209 0.00328608627374 69.723 > 10 38 Ga 0.50000000000000 0.16709869663209 0.00328608627374 69.723 > 10 39 Ga 0.00000000000000 0.66709869663209 0.00328608627374 69.723 > 10 40 Ga 0.50000000000000 0.66709869663209 0.00328608627374 69.723 > 10 41 Ga 0.16709869663209 0.00000000000000 0.00328608627374 69.723 > 11 42 Ga 0.66709869663209 0.00000000000000 0.00328608627374 69.723 > 11 43 Ga 0.16709869663209 0.50000000000000 0.00328608627374 69.723 > 11 44 Ga 0.66709869663209 0.50000000000000 0.00328608627374 69.723 > 11 45 Ga 0.33290130336791 0.00000000000000 0.50328608627373 69.723 > 12 46 Ga 0.83290130336791 0.00000000000000 0.50328608627373 69.723 > 12 47 Ga 0.33290130336791 0.50000000000000 0.50328608627373 69.723 > 12 48 Ga 0.83290130336791 0.50000000000000 0.50328608627373 69.723 > 12 *49 O 0.15279115599273 0.15279115599273 0.34049631641169 15.999 > 13 50 O 0.65279115599273 0.15279115599273 0.34049631641169 15.999 > 13 51 O 0.15279115599273 0.65279115599273 0.34049631641169 15.999 > 13 52 O 0.65279115599273 0.65279115599273 0.34049631641169 15.999 > 13 *53 O 0.18019731377796 0.18019731377796 0.66495690185585 15.999 > 14 54 O 0.68019731377796 0.18019731377796 0.66495690185585 15.999 > 14 55 O 0.18019731377796 0.68019731377796 0.66495690185585 15.999 > 14 56 O 0.68019731377796 0.68019731377796 0.66495690185585 15.999 > 14 57 O 0.31980268622204 0.31980268622204 0.16495690185585 15.999 > 15 58 O 0.81980268622204 0.31980268622204 0.16495690185585 15.999 > 15 59 O 0.31980268622204 0.81980268622204 0.16495690185585 15.999 > 15 60 O 0.81980268622204 0.81980268622204 0.16495690185585 15.999 > 15 61 O 0.34720884400727 0.34720884400727 0.84049631641169 15.999 > 16 62 O 0.84720884400727 0.34720884400727 0.84049631641169 15.999 > 16 63 O 0.34720884400727 0.84720884400727 0.84049631641169 15.999 > 16 64 O 0.84720884400727 0.84720884400727 0.84049631641169 15.999 > 16 *65 O 0.33333333333333 0.16666666666667 0.98337639321804 15.999 > 17 66 O 0.83333333333333 0.16666666666667 0.98337639321804 15.999 > 17 67 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 > 17 68 O 0.83333333333333 0.66666666666667 0.98337639321804 15.999 > 17 69 O 0.33333333333333 0.16666666666667 0.48337639321804 15.999 > 18 70 O 0.83333333333333 0.16666666666667 0.48337639321804 15.999 > 18 71 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 > 18 72 O 0.83333333333333 0.66666666666667 0.48337639321804 15.999 > 18 *73 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.52584176836320 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.52584176836320 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.52584176836320 15.999 > 19 77 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 > 20 78 O 0.50000000000000 0.00000000000000 0.02584176836320 15.999 > 20 79 O 0.00000000000000 0.50000000000000 0.02584176836320 15.999 > 20 80 O 0.50000000000000 0.50000000000000 0.02584176836320 15.999 > 20 81 O 0.00000000000000 0.34720884400727 0.34049631641169 15.999 > 21 82 O 0.50000000000000 0.34720884400727 0.34049631641169 15.999 > 21 83 O 0.00000000000000 0.84720884400727 0.34049631641169 15.999 > 21 84 O 0.50000000000000 0.84720884400727 0.34049631641169 15.999 > 21 85 O 0.00000000000000 0.31980268622204 0.66495690185585 15.999 > 22 86 O 0.50000000000000 0.31980268622204 0.66495690185585 15.999 > 22 87 O 0.00000000000000 0.81980268622204 0.66495690185585 15.999 > 22 88 O 0.50000000000000 0.81980268622204 0.66495690185585 15.999 > 22 89 O 0.15279115599273 0.00000000000000 0.84049631641169 15.999 > 23 90 O 0.65279115599273 0.00000000000000 0.84049631641169 15.999 > 23 91 O 0.15279115599273 0.50000000000000 0.84049631641169 15.999 > 23 92 O 0.65279115599273 0.50000000000000 0.84049631641169 15.999 > 23 93 O 0.00000000000000 0.18019731377796 0.16495690185585 15.999 > 24 94 O 0.50000000000000 0.18019731377796 0.16495690185585 15.999 > 24 95 O 0.00000000000000 0.68019731377796 0.16495690185585 15.999 > 24 96 O 0.50000000000000 0.68019731377796 0.16495690185585 15.999 > 24 97 O 0.00000000000000 0.15279115599273 0.84049631641169 15.999 > 25 98 O 0.50000000000000 0.15279115599273 0.84049631641169 15.999 > 25 99 O 0.00000000000000 0.65279115599273 0.84049631641169 15.999 > 25 100 O 0.50000000000000 0.65279115599273 0.84049631641169 15.999 > 25 101 O 0.18019731377796 0.00000000000000 0.16495690185585 15.999 > 26 102 O 0.68019731377796 0.00000000000000 0.16495690185585 15.999 > 26 103 O 0.18019731377796 0.50000000000000 0.16495690185585 15.999 > 26 104 O 0.68019731377796 0.50000000000000 0.16495690185585 15.999 > 26 105 O 0.16666666666667 0.33333333333333 0.48337639321804 15.999 > 27 106 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 > 27 107 O 0.16666666666667 0.83333333333333 0.48337639321804 15.999 > 27 108 O 0.66666666666667 0.83333333333333 0.48337639321804 15.999 > 27 109 O 0.16666666666667 0.33333333333333 0.98337639321804 15.999 > 28 110 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 > 28 111 O 0.16666666666667 0.83333333333333 0.98337639321804 15.999 > 28 112 O 0.66666666666667 0.83333333333333 0.98337639321804 15.999 > 28 113 O 0.31980268622204 0.00000000000000 0.66495690185585 15.999 > 29 114 O 0.81980268622204 0.00000000000000 0.66495690185585 15.999 > 29 115 O 0.31980268622204 0.50000000000000 0.66495690185585 15.999 > 29 116 O 0.81980268622204 0.50000000000000 0.66495690185585 15.999 > 29 117 O 0.34720884400727 0.00000000000000 0.34049631641169 15.999 > 30 118 O 0.84720884400727 0.00000000000000 0.34049631641169 15.999 > 30 119 O 0.34720884400727 0.50000000000000 0.34049631641169 15.999 > 30 120 O 0.84720884400727 0.50000000000000 0.34049631641169 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2617212 -0.0000000 0.0000000 0.0000000 4.2617212 0.0000000 0.0000000 0.0000000 4.2841845 -------------------------- Born effective charges -------------------------- 1 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 2 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 3 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 4 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 5 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 6 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 7 Ga 2.8725330 -0.0037905 -0.0863006 -0.0037905 2.8681561 -0.1494771 -0.0457526 -0.0792458 3.4488148 8 Ga 2.8725330 -0.0037905 0.0863006 -0.0037905 2.8681561 0.1494771 0.0457526 0.0792458 3.4488148 9 Ga 2.8725330 0.0037905 -0.0863006 0.0037905 2.8681561 0.1494771 -0.0457526 0.0792458 3.4488148 10 Ga 2.8725330 0.0037905 0.0863006 0.0037905 2.8681561 -0.1494771 0.0457526 -0.0792458 3.4488148 11 Ga 2.8659676 0.0000000 -0.1726013 0.0000000 2.8747214 0.0000000 -0.0915052 0.0000000 3.4488148 12 Ga 2.8659676 0.0000000 0.1726013 0.0000000 2.8747214 0.0000000 0.0915052 -0.0000000 3.4488148 13 O -2.3332247 0.0357896 -0.0945695 0.0357896 -2.2918984 -0.1637991 -0.0662302 -0.1147141 -2.3900920 14 O -2.2134911 -0.0156564 -0.0895160 -0.0156564 -2.2315695 -0.1550462 -0.0550670 -0.0953789 -2.5165337 15 O -2.2134911 -0.0156564 0.0895160 -0.0156564 -2.2315695 0.1550462 0.0550670 0.0953789 -2.5165337 16 O -2.3332247 0.0357896 0.0945695 0.0357896 -2.2918984 0.1637991 0.0662302 0.1147141 -2.3900920 17 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 18 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 19 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 20 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 21 O -2.3332247 -0.0357896 -0.0945695 -0.0357896 -2.2918984 0.1637991 -0.0662302 0.1147141 -2.3900920 22 O -2.2134911 0.0156564 -0.0895160 0.0156564 -2.2315695 0.1550462 -0.0550670 0.0953789 -2.5165337 23 O -2.2712353 -0.0000000 -0.1891389 -0.0000000 -2.3538878 0.0000000 -0.1324604 0.0000000 -2.3900920 24 O -2.2134911 0.0156564 0.0895160 0.0156564 -2.2315695 -0.1550462 0.0550670 -0.0953789 -2.5165337 25 O -2.3332247 -0.0357896 0.0945695 -0.0357896 -2.2918984 -0.1637991 0.0662302 -0.1147141 -2.3900920 26 O -2.2406087 0.0000000 -0.1790320 -0.0000000 -2.2044519 0.0000000 -0.1101340 0.0000000 -2.5165337 27 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 28 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 29 O -2.2406087 0.0000000 0.1790320 -0.0000000 -2.2044519 0.0000000 0.1101340 -0.0000000 -2.5165337 30 O -2.2712353 -0.0000000 0.1891389 -0.0000000 -2.3538878 0.0000000 0.1324604 -0.0000000 -2.3900920 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 906 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 2.024 Solver_block: 200 / 320 - Time: 1.997 Solver_block: 300 / 320 - Time: 1.997 Solver_block: 320 / 320 - Time: 0.472 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.530 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 906 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), 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 2026-01-09 01:22:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:22:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.041240347248488 0.000000000000000 0.000000000000000 b -3.020620173624244 5.231867611084714 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): 1 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 2 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 3 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 4 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 5 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 6 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 7 Ga 0.33419739326418 0.33419739326418 0.50328608627373 69.723 8 Ga 0.66580260673582 0.66580260673582 0.00328608627374 69.723 9 Ga 0.00000000000000 0.66580260673582 0.50328608627373 69.723 10 Ga 0.00000000000000 0.33419739326418 0.00328608627374 69.723 11 Ga 0.33419739326418 0.00000000000000 0.00328608627374 69.723 12 Ga 0.66580260673582 0.00000000000000 0.50328608627373 69.723 13 O 0.30558231198547 0.30558231198547 0.34049631641169 15.999 14 O 0.36039462755592 0.36039462755592 0.66495690185585 15.999 15 O 0.63960537244408 0.63960537244408 0.16495690185585 15.999 16 O 0.69441768801453 0.69441768801453 0.84049631641169 15.999 17 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 18 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 19 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 20 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 21 O 0.00000000000000 0.69441768801453 0.34049631641169 15.999 22 O 0.00000000000000 0.63960537244408 0.66495690185585 15.999 23 O 0.30558231198547 0.00000000000000 0.84049631641169 15.999 24 O 0.00000000000000 0.36039462755592 0.16495690185585 15.999 25 O 0.00000000000000 0.30558231198547 0.84049631641169 15.999 26 O 0.36039462755592 0.00000000000000 0.16495690185585 15.999 27 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 28 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 29 O 0.63960537244408 0.00000000000000 0.66495690185585 15.999 30 O 0.69441768801453 0.00000000000000 0.34049631641169 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.082480694496976 0.000000000000000 0.000000000000000 b -6.041240347248488 10.463735222169428 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): 1 Dy 0.33333333333333 0.16666666666667 0.77082842810799 162.500 > 1 2 Dy 0.83333333333333 0.16666666666667 0.77082842810799 162.500 > 1 3 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 > 1 4 Dy 0.83333333333333 0.66666666666667 0.77082842810799 162.500 > 1 5 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 > 5 6 Dy 0.50000000000000 0.00000000000000 0.72822595536092 162.500 > 5 7 Dy 0.00000000000000 0.50000000000000 0.72822595536092 162.500 > 5 8 Dy 0.50000000000000 0.50000000000000 0.72822595536092 162.500 > 5 9 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 > 9 10 Dy 0.50000000000000 0.00000000000000 0.22822595536092 162.500 > 9 11 Dy 0.00000000000000 0.50000000000000 0.22822595536092 162.500 > 9 12 Dy 0.50000000000000 0.50000000000000 0.22822595536092 162.500 > 9 13 Dy 0.33333333333333 0.16666666666667 0.27082842810799 162.500 > 13 14 Dy 0.83333333333333 0.16666666666667 0.27082842810799 162.500 > 13 15 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 > 13 16 Dy 0.83333333333333 0.66666666666667 0.27082842810799 162.500 > 13 17 Dy 0.16666666666667 0.33333333333333 0.27082842810799 162.500 > 17 18 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 > 17 19 Dy 0.16666666666667 0.83333333333333 0.27082842810799 162.500 > 17 20 Dy 0.66666666666667 0.83333333333333 0.27082842810799 162.500 > 17 21 Dy 0.16666666666667 0.33333333333333 0.77082842810799 162.500 > 21 22 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 > 21 23 Dy 0.16666666666667 0.83333333333333 0.77082842810799 162.500 > 21 24 Dy 0.66666666666667 0.83333333333333 0.77082842810799 162.500 > 21 25 Ga 0.16709869663209 0.16709869663209 0.50328608627373 69.723 > 25 26 Ga 0.66709869663209 0.16709869663209 0.50328608627373 69.723 > 25 27 Ga 0.16709869663209 0.66709869663209 0.50328608627373 69.723 > 25 28 Ga 0.66709869663209 0.66709869663209 0.50328608627373 69.723 > 25 29 Ga 0.33290130336791 0.33290130336791 0.00328608627374 69.723 > 29 30 Ga 0.83290130336791 0.33290130336791 0.00328608627374 69.723 > 29 31 Ga 0.33290130336791 0.83290130336791 0.00328608627374 69.723 > 29 32 Ga 0.83290130336791 0.83290130336791 0.00328608627374 69.723 > 29 33 Ga 0.00000000000000 0.33290130336791 0.50328608627373 69.723 > 33 34 Ga 0.50000000000000 0.33290130336791 0.50328608627373 69.723 > 33 35 Ga 0.00000000000000 0.83290130336791 0.50328608627373 69.723 > 33 36 Ga 0.50000000000000 0.83290130336791 0.50328608627373 69.723 > 33 37 Ga 0.00000000000000 0.16709869663209 0.00328608627374 69.723 > 37 38 Ga 0.50000000000000 0.16709869663209 0.00328608627374 69.723 > 37 39 Ga 0.00000000000000 0.66709869663209 0.00328608627374 69.723 > 37 40 Ga 0.50000000000000 0.66709869663209 0.00328608627374 69.723 > 37 41 Ga 0.16709869663209 0.00000000000000 0.00328608627374 69.723 > 41 42 Ga 0.66709869663209 0.00000000000000 0.00328608627374 69.723 > 41 43 Ga 0.16709869663209 0.50000000000000 0.00328608627374 69.723 > 41 44 Ga 0.66709869663209 0.50000000000000 0.00328608627374 69.723 > 41 45 Ga 0.33290130336791 0.00000000000000 0.50328608627373 69.723 > 45 46 Ga 0.83290130336791 0.00000000000000 0.50328608627373 69.723 > 45 47 Ga 0.33290130336791 0.50000000000000 0.50328608627373 69.723 > 45 48 Ga 0.83290130336791 0.50000000000000 0.50328608627373 69.723 > 45 49 O 0.15279115599273 0.15279115599273 0.34049631641169 15.999 > 49 50 O 0.65279115599273 0.15279115599273 0.34049631641169 15.999 > 49 51 O 0.15279115599273 0.65279115599273 0.34049631641169 15.999 > 49 52 O 0.65279115599273 0.65279115599273 0.34049631641169 15.999 > 49 53 O 0.18019731377796 0.18019731377796 0.66495690185585 15.999 > 53 54 O 0.68019731377796 0.18019731377796 0.66495690185585 15.999 > 53 55 O 0.18019731377796 0.68019731377796 0.66495690185585 15.999 > 53 56 O 0.68019731377796 0.68019731377796 0.66495690185585 15.999 > 53 57 O 0.31980268622204 0.31980268622204 0.16495690185585 15.999 > 57 58 O 0.81980268622204 0.31980268622204 0.16495690185585 15.999 > 57 59 O 0.31980268622204 0.81980268622204 0.16495690185585 15.999 > 57 60 O 0.81980268622204 0.81980268622204 0.16495690185585 15.999 > 57 61 O 0.34720884400727 0.34720884400727 0.84049631641169 15.999 > 61 62 O 0.84720884400727 0.34720884400727 0.84049631641169 15.999 > 61 63 O 0.34720884400727 0.84720884400727 0.84049631641169 15.999 > 61 64 O 0.84720884400727 0.84720884400727 0.84049631641169 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.98337639321804 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.98337639321804 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.98337639321804 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.48337639321804 15.999 > 69 70 O 0.83333333333333 0.16666666666667 0.48337639321804 15.999 > 69 71 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 > 69 72 O 0.83333333333333 0.66666666666667 0.48337639321804 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.52584176836320 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.52584176836320 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.52584176836320 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.02584176836320 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.02584176836320 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.02584176836320 15.999 > 77 81 O 0.00000000000000 0.34720884400727 0.34049631641169 15.999 > 81 82 O 0.50000000000000 0.34720884400727 0.34049631641169 15.999 > 81 83 O 0.00000000000000 0.84720884400727 0.34049631641169 15.999 > 81 84 O 0.50000000000000 0.84720884400727 0.34049631641169 15.999 > 81 85 O 0.00000000000000 0.31980268622204 0.66495690185585 15.999 > 85 86 O 0.50000000000000 0.31980268622204 0.66495690185585 15.999 > 85 87 O 0.00000000000000 0.81980268622204 0.66495690185585 15.999 > 85 88 O 0.50000000000000 0.81980268622204 0.66495690185585 15.999 > 85 89 O 0.15279115599273 0.00000000000000 0.84049631641169 15.999 > 89 90 O 0.65279115599273 0.00000000000000 0.84049631641169 15.999 > 89 91 O 0.15279115599273 0.50000000000000 0.84049631641169 15.999 > 89 92 O 0.65279115599273 0.50000000000000 0.84049631641169 15.999 > 89 93 O 0.00000000000000 0.18019731377796 0.16495690185585 15.999 > 93 94 O 0.50000000000000 0.18019731377796 0.16495690185585 15.999 > 93 95 O 0.00000000000000 0.68019731377796 0.16495690185585 15.999 > 93 96 O 0.50000000000000 0.68019731377796 0.16495690185585 15.999 > 93 97 O 0.00000000000000 0.15279115599273 0.84049631641169 15.999 > 97 98 O 0.50000000000000 0.15279115599273 0.84049631641169 15.999 > 97 99 O 0.00000000000000 0.65279115599273 0.84049631641169 15.999 > 97 100 O 0.50000000000000 0.65279115599273 0.84049631641169 15.999 > 97 101 O 0.18019731377796 0.00000000000000 0.16495690185585 15.999 > 101 102 O 0.68019731377796 0.00000000000000 0.16495690185585 15.999 > 101 103 O 0.18019731377796 0.50000000000000 0.16495690185585 15.999 > 101 104 O 0.68019731377796 0.50000000000000 0.16495690185585 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.48337639321804 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.48337639321804 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.48337639321804 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.98337639321804 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.98337639321804 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.98337639321804 15.999 > 109 113 O 0.31980268622204 0.00000000000000 0.66495690185585 15.999 > 113 114 O 0.81980268622204 0.00000000000000 0.66495690185585 15.999 > 113 115 O 0.31980268622204 0.50000000000000 0.66495690185585 15.999 > 113 116 O 0.81980268622204 0.50000000000000 0.66495690185585 15.999 > 113 117 O 0.34720884400727 0.00000000000000 0.34049631641169 15.999 > 117 118 O 0.84720884400727 0.00000000000000 0.34049631641169 15.999 > 117 119 O 0.34720884400727 0.50000000000000 0.34049631641169 15.999 > 117 120 O 0.84720884400727 0.50000000000000 0.34049631641169 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2617212 -0.0000000 0.0000000 0.0000000 4.2617212 0.0000000 0.0000000 0.0000000 4.2841845 -------------------------- Born effective charges -------------------------- 1 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 2 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 3 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 4 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 5 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 6 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 7 Ga 2.8725330 -0.0037905 -0.0863006 -0.0037905 2.8681561 -0.1494771 -0.0457526 -0.0792458 3.4488148 8 Ga 2.8725330 -0.0037905 0.0863006 -0.0037905 2.8681561 0.1494771 0.0457526 0.0792458 3.4488148 9 Ga 2.8725330 0.0037905 -0.0863006 0.0037905 2.8681561 0.1494771 -0.0457526 0.0792458 3.4488148 10 Ga 2.8725330 0.0037905 0.0863006 0.0037905 2.8681561 -0.1494771 0.0457526 -0.0792458 3.4488148 11 Ga 2.8659676 0.0000000 -0.1726013 0.0000000 2.8747214 0.0000000 -0.0915052 0.0000000 3.4488148 12 Ga 2.8659676 0.0000000 0.1726013 0.0000000 2.8747214 0.0000000 0.0915052 -0.0000000 3.4488148 13 O -2.3332247 0.0357896 -0.0945695 0.0357896 -2.2918984 -0.1637991 -0.0662302 -0.1147141 -2.3900920 14 O -2.2134911 -0.0156564 -0.0895160 -0.0156564 -2.2315695 -0.1550462 -0.0550670 -0.0953789 -2.5165337 15 O -2.2134911 -0.0156564 0.0895160 -0.0156564 -2.2315695 0.1550462 0.0550670 0.0953789 -2.5165337 16 O -2.3332247 0.0357896 0.0945695 0.0357896 -2.2918984 0.1637991 0.0662302 0.1147141 -2.3900920 17 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 18 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 19 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 20 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 21 O -2.3332247 -0.0357896 -0.0945695 -0.0357896 -2.2918984 0.1637991 -0.0662302 0.1147141 -2.3900920 22 O -2.2134911 0.0156564 -0.0895160 0.0156564 -2.2315695 0.1550462 -0.0550670 0.0953789 -2.5165337 23 O -2.2712353 -0.0000000 -0.1891389 -0.0000000 -2.3538878 0.0000000 -0.1324604 0.0000000 -2.3900920 24 O -2.2134911 0.0156564 0.0895160 0.0156564 -2.2315695 -0.1550462 0.0550670 -0.0953789 -2.5165337 25 O -2.3332247 -0.0357896 0.0945695 -0.0357896 -2.2918984 -0.1637991 0.0662302 -0.1147141 -2.3900920 26 O -2.2406087 0.0000000 -0.1790320 -0.0000000 -2.2044519 0.0000000 -0.1101340 0.0000000 -2.5165337 27 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 28 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 29 O -2.2406087 0.0000000 0.1790320 -0.0000000 -2.2044519 0.0000000 0.1101340 -0.0000000 -2.5165337 30 O -2.2712353 -0.0000000 0.1891389 -0.0000000 -2.3538878 0.0000000 0.1324604 -0.0000000 -2.3900920 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:23:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:23:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.041240347248488 0.000000000000000 0.000000000000000 b -3.020620173624244 5.231867611084714 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): 1 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 2 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 3 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 4 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 5 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 6 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 7 Ga 0.33419739326418 0.33419739326418 0.50328608627373 69.723 8 Ga 0.66580260673582 0.66580260673582 0.00328608627374 69.723 9 Ga 0.00000000000000 0.66580260673582 0.50328608627373 69.723 10 Ga 0.00000000000000 0.33419739326418 0.00328608627374 69.723 11 Ga 0.33419739326418 0.00000000000000 0.00328608627374 69.723 12 Ga 0.66580260673582 0.00000000000000 0.50328608627373 69.723 13 O 0.30558231198547 0.30558231198547 0.34049631641169 15.999 14 O 0.36039462755592 0.36039462755592 0.66495690185585 15.999 15 O 0.63960537244408 0.63960537244408 0.16495690185585 15.999 16 O 0.69441768801453 0.69441768801453 0.84049631641169 15.999 17 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 18 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 19 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 20 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 21 O 0.00000000000000 0.69441768801453 0.34049631641169 15.999 22 O 0.00000000000000 0.63960537244408 0.66495690185585 15.999 23 O 0.30558231198547 0.00000000000000 0.84049631641169 15.999 24 O 0.00000000000000 0.36039462755592 0.16495690185585 15.999 25 O 0.00000000000000 0.30558231198547 0.84049631641169 15.999 26 O 0.36039462755592 0.00000000000000 0.16495690185585 15.999 27 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 28 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 29 O 0.63960537244408 0.00000000000000 0.66495690185585 15.999 30 O 0.69441768801453 0.00000000000000 0.34049631641169 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.082480694496976 0.000000000000000 0.000000000000000 b -6.041240347248488 10.463735222169428 0.000000000000000 c 0.000000000000000 0.000000000000000 11.589397890000001 Atomic positions (fractional): 1 Dy 0.33333333333333 0.16666666666667 0.77082842810799 162.500 > 1 2 Dy 0.83333333333333 0.16666666666667 0.77082842810799 162.500 > 1 3 Dy 0.33333333333333 0.66666666666667 0.77082842810799 162.500 > 1 4 Dy 0.83333333333333 0.66666666666667 0.77082842810799 162.500 > 1 5 Dy 0.00000000000000 0.00000000000000 0.72822595536092 162.500 > 5 6 Dy 0.50000000000000 0.00000000000000 0.72822595536092 162.500 > 5 7 Dy 0.00000000000000 0.50000000000000 0.72822595536092 162.500 > 5 8 Dy 0.50000000000000 0.50000000000000 0.72822595536092 162.500 > 5 9 Dy 0.00000000000000 0.00000000000000 0.22822595536092 162.500 > 9 10 Dy 0.50000000000000 0.00000000000000 0.22822595536092 162.500 > 9 11 Dy 0.00000000000000 0.50000000000000 0.22822595536092 162.500 > 9 12 Dy 0.50000000000000 0.50000000000000 0.22822595536092 162.500 > 9 13 Dy 0.33333333333333 0.16666666666667 0.27082842810799 162.500 > 13 14 Dy 0.83333333333333 0.16666666666667 0.27082842810799 162.500 > 13 15 Dy 0.33333333333333 0.66666666666667 0.27082842810799 162.500 > 13 16 Dy 0.83333333333333 0.66666666666667 0.27082842810799 162.500 > 13 17 Dy 0.16666666666667 0.33333333333333 0.27082842810799 162.500 > 17 18 Dy 0.66666666666667 0.33333333333333 0.27082842810799 162.500 > 17 19 Dy 0.16666666666667 0.83333333333333 0.27082842810799 162.500 > 17 20 Dy 0.66666666666667 0.83333333333333 0.27082842810799 162.500 > 17 21 Dy 0.16666666666667 0.33333333333333 0.77082842810799 162.500 > 21 22 Dy 0.66666666666667 0.33333333333333 0.77082842810799 162.500 > 21 23 Dy 0.16666666666667 0.83333333333333 0.77082842810799 162.500 > 21 24 Dy 0.66666666666667 0.83333333333333 0.77082842810799 162.500 > 21 25 Ga 0.16709869663209 0.16709869663209 0.50328608627373 69.723 > 25 26 Ga 0.66709869663209 0.16709869663209 0.50328608627373 69.723 > 25 27 Ga 0.16709869663209 0.66709869663209 0.50328608627373 69.723 > 25 28 Ga 0.66709869663209 0.66709869663209 0.50328608627373 69.723 > 25 29 Ga 0.33290130336791 0.33290130336791 0.00328608627374 69.723 > 29 30 Ga 0.83290130336791 0.33290130336791 0.00328608627374 69.723 > 29 31 Ga 0.33290130336791 0.83290130336791 0.00328608627374 69.723 > 29 32 Ga 0.83290130336791 0.83290130336791 0.00328608627374 69.723 > 29 33 Ga 0.00000000000000 0.33290130336791 0.50328608627373 69.723 > 33 34 Ga 0.50000000000000 0.33290130336791 0.50328608627373 69.723 > 33 35 Ga 0.00000000000000 0.83290130336791 0.50328608627373 69.723 > 33 36 Ga 0.50000000000000 0.83290130336791 0.50328608627373 69.723 > 33 37 Ga 0.00000000000000 0.16709869663209 0.00328608627374 69.723 > 37 38 Ga 0.50000000000000 0.16709869663209 0.00328608627374 69.723 > 37 39 Ga 0.00000000000000 0.66709869663209 0.00328608627374 69.723 > 37 40 Ga 0.50000000000000 0.66709869663209 0.00328608627374 69.723 > 37 41 Ga 0.16709869663209 0.00000000000000 0.00328608627374 69.723 > 41 42 Ga 0.66709869663209 0.00000000000000 0.00328608627374 69.723 > 41 43 Ga 0.16709869663209 0.50000000000000 0.00328608627374 69.723 > 41 44 Ga 0.66709869663209 0.50000000000000 0.00328608627374 69.723 > 41 45 Ga 0.33290130336791 0.00000000000000 0.50328608627373 69.723 > 45 46 Ga 0.83290130336791 0.00000000000000 0.50328608627373 69.723 > 45 47 Ga 0.33290130336791 0.50000000000000 0.50328608627373 69.723 > 45 48 Ga 0.83290130336791 0.50000000000000 0.50328608627373 69.723 > 45 49 O 0.15279115599273 0.15279115599273 0.34049631641169 15.999 > 49 50 O 0.65279115599273 0.15279115599273 0.34049631641169 15.999 > 49 51 O 0.15279115599273 0.65279115599273 0.34049631641169 15.999 > 49 52 O 0.65279115599273 0.65279115599273 0.34049631641169 15.999 > 49 53 O 0.18019731377796 0.18019731377796 0.66495690185585 15.999 > 53 54 O 0.68019731377796 0.18019731377796 0.66495690185585 15.999 > 53 55 O 0.18019731377796 0.68019731377796 0.66495690185585 15.999 > 53 56 O 0.68019731377796 0.68019731377796 0.66495690185585 15.999 > 53 57 O 0.31980268622204 0.31980268622204 0.16495690185585 15.999 > 57 58 O 0.81980268622204 0.31980268622204 0.16495690185585 15.999 > 57 59 O 0.31980268622204 0.81980268622204 0.16495690185585 15.999 > 57 60 O 0.81980268622204 0.81980268622204 0.16495690185585 15.999 > 57 61 O 0.34720884400727 0.34720884400727 0.84049631641169 15.999 > 61 62 O 0.84720884400727 0.34720884400727 0.84049631641169 15.999 > 61 63 O 0.34720884400727 0.84720884400727 0.84049631641169 15.999 > 61 64 O 0.84720884400727 0.84720884400727 0.84049631641169 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.98337639321804 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.98337639321804 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.98337639321804 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.98337639321804 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.48337639321804 15.999 > 69 70 O 0.83333333333333 0.16666666666667 0.48337639321804 15.999 > 69 71 O 0.33333333333333 0.66666666666667 0.48337639321804 15.999 > 69 72 O 0.83333333333333 0.66666666666667 0.48337639321804 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.52584176836320 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.52584176836320 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.52584176836320 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.52584176836320 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.02584176836320 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.02584176836320 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.02584176836320 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.02584176836320 15.999 > 77 81 O 0.00000000000000 0.34720884400727 0.34049631641169 15.999 > 81 82 O 0.50000000000000 0.34720884400727 0.34049631641169 15.999 > 81 83 O 0.00000000000000 0.84720884400727 0.34049631641169 15.999 > 81 84 O 0.50000000000000 0.84720884400727 0.34049631641169 15.999 > 81 85 O 0.00000000000000 0.31980268622204 0.66495690185585 15.999 > 85 86 O 0.50000000000000 0.31980268622204 0.66495690185585 15.999 > 85 87 O 0.00000000000000 0.81980268622204 0.66495690185585 15.999 > 85 88 O 0.50000000000000 0.81980268622204 0.66495690185585 15.999 > 85 89 O 0.15279115599273 0.00000000000000 0.84049631641169 15.999 > 89 90 O 0.65279115599273 0.00000000000000 0.84049631641169 15.999 > 89 91 O 0.15279115599273 0.50000000000000 0.84049631641169 15.999 > 89 92 O 0.65279115599273 0.50000000000000 0.84049631641169 15.999 > 89 93 O 0.00000000000000 0.18019731377796 0.16495690185585 15.999 > 93 94 O 0.50000000000000 0.18019731377796 0.16495690185585 15.999 > 93 95 O 0.00000000000000 0.68019731377796 0.16495690185585 15.999 > 93 96 O 0.50000000000000 0.68019731377796 0.16495690185585 15.999 > 93 97 O 0.00000000000000 0.15279115599273 0.84049631641169 15.999 > 97 98 O 0.50000000000000 0.15279115599273 0.84049631641169 15.999 > 97 99 O 0.00000000000000 0.65279115599273 0.84049631641169 15.999 > 97 100 O 0.50000000000000 0.65279115599273 0.84049631641169 15.999 > 97 101 O 0.18019731377796 0.00000000000000 0.16495690185585 15.999 > 101 102 O 0.68019731377796 0.00000000000000 0.16495690185585 15.999 > 101 103 O 0.18019731377796 0.50000000000000 0.16495690185585 15.999 > 101 104 O 0.68019731377796 0.50000000000000 0.16495690185585 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.48337639321804 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.48337639321804 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.48337639321804 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.48337639321804 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.98337639321804 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.98337639321804 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.98337639321804 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.98337639321804 15.999 > 109 113 O 0.31980268622204 0.00000000000000 0.66495690185585 15.999 > 113 114 O 0.81980268622204 0.00000000000000 0.66495690185585 15.999 > 113 115 O 0.31980268622204 0.50000000000000 0.66495690185585 15.999 > 113 116 O 0.81980268622204 0.50000000000000 0.66495690185585 15.999 > 113 117 O 0.34720884400727 0.00000000000000 0.34049631641169 15.999 > 117 118 O 0.84720884400727 0.00000000000000 0.34049631641169 15.999 > 117 119 O 0.34720884400727 0.50000000000000 0.34049631641169 15.999 > 117 120 O 0.84720884400727 0.50000000000000 0.34049631641169 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2617212 -0.0000000 0.0000000 0.0000000 4.2617212 0.0000000 0.0000000 0.0000000 4.2841845 -------------------------- Born effective charges -------------------------- 1 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 2 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 3 Dy 3.8399394 0.0000000 -0.0000000 0.0000000 3.8399394 0.0000000 -0.0000000 -0.0000000 3.5029654 4 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 5 Dy 3.9280841 -0.1190826 -0.0000000 0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 6 Dy 3.9280841 0.1190826 -0.0000000 -0.1190826 3.9280841 0.0000000 -0.0000000 -0.0000000 3.4420985 7 Ga 2.8725330 -0.0037905 -0.0863006 -0.0037905 2.8681561 -0.1494771 -0.0457526 -0.0792458 3.4488148 8 Ga 2.8725330 -0.0037905 0.0863006 -0.0037905 2.8681561 0.1494771 0.0457526 0.0792458 3.4488148 9 Ga 2.8725330 0.0037905 -0.0863006 0.0037905 2.8681561 0.1494771 -0.0457526 0.0792458 3.4488148 10 Ga 2.8725330 0.0037905 0.0863006 0.0037905 2.8681561 -0.1494771 0.0457526 -0.0792458 3.4488148 11 Ga 2.8659676 0.0000000 -0.1726013 0.0000000 2.8747214 0.0000000 -0.0915052 0.0000000 3.4488148 12 Ga 2.8659676 0.0000000 0.1726013 0.0000000 2.8747214 0.0000000 0.0915052 -0.0000000 3.4488148 13 O -2.3332247 0.0357896 -0.0945695 0.0357896 -2.2918984 -0.1637991 -0.0662302 -0.1147141 -2.3900920 14 O -2.2134911 -0.0156564 -0.0895160 -0.0156564 -2.2315695 -0.1550462 -0.0550670 -0.0953789 -2.5165337 15 O -2.2134911 -0.0156564 0.0895160 -0.0156564 -2.2315695 0.1550462 0.0550670 0.0953789 -2.5165337 16 O -2.3332247 0.0357896 0.0945695 0.0357896 -2.2918984 0.1637991 0.0662302 0.1147141 -2.3900920 17 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 18 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 19 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 20 O -2.2264722 -0.0000000 -0.0000000 -0.0000000 -2.2264722 0.0000000 -0.0000000 -0.0000000 -2.0471362 21 O -2.3332247 -0.0357896 -0.0945695 -0.0357896 -2.2918984 0.1637991 -0.0662302 0.1147141 -2.3900920 22 O -2.2134911 0.0156564 -0.0895160 0.0156564 -2.2315695 0.1550462 -0.0550670 0.0953789 -2.5165337 23 O -2.2712353 -0.0000000 -0.1891389 -0.0000000 -2.3538878 0.0000000 -0.1324604 0.0000000 -2.3900920 24 O -2.2134911 0.0156564 0.0895160 0.0156564 -2.2315695 -0.1550462 0.0550670 -0.0953789 -2.5165337 25 O -2.3332247 -0.0357896 0.0945695 -0.0357896 -2.2918984 -0.1637991 0.0662302 -0.1147141 -2.3900920 26 O -2.2406087 0.0000000 -0.1790320 -0.0000000 -2.2044519 0.0000000 -0.1101340 0.0000000 -2.5165337 27 O -2.2376967 0.0039700 -0.0000000 -0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 28 O -2.2376967 -0.0039700 -0.0000000 0.0039700 -2.2376967 0.0000000 -0.0000000 -0.0000000 -1.9832968 29 O -2.2406087 0.0000000 0.1790320 -0.0000000 -2.2044519 0.0000000 0.1101340 -0.0000000 -2.5165337 30 O -2.2712353 -0.0000000 0.1891389 -0.0000000 -2.3538878 0.0000000 0.1324604 -0.0000000 -2.3900920 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) 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 ... [ 10 10 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: 0.58, Number of G-points: 325, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.293 ( -0.000 -0.000 -0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 -0.000 -0.000) 0.000 3.346 ( -0.000 0.000 0.000) 0.000 3.346 ( 0.000 -0.000 0.000) 0.000 3.658 ( 0.000 -0.000 0.000) 0.000 3.764 ( 0.000 0.000 -0.000) 0.000 3.764 ( 0.000 0.000 -0.000) 0.000 4.544 ( 0.000 -0.000 0.000) 0.000 4.856 ( 0.000 -0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 -0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.914 ( -0.000 0.000 0.000) 0.000 4.914 ( -0.000 0.000 -0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 4.991 ( -0.000 0.000 -0.000) 0.000 5.451 ( -0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.511 ( -0.000 0.000 0.000) 0.000 5.511 ( 0.000 -0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 -0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 -0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 7.697 ( 0.000 0.000 -0.000) 0.000 7.697 ( -0.000 -0.000 0.000) 0.000 7.788 ( 0.000 0.000 -0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.088 ( -0.000 0.000 0.000) 0.000 9.293 ( -0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.498 ( -0.000 0.000 -0.000) 0.000 9.498 ( 0.000 -0.000 -0.000) 0.000 9.607 ( -0.000 -0.000 0.000) 0.000 9.607 ( 0.000 -0.000 -0.000) 0.000 9.915 ( 0.000 -0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.264 ( -0.000 0.000 0.000) 0.000 10.514 ( -0.000 0.000 -0.000) 0.000 10.514 ( -0.000 -0.000 0.000) 0.000 11.051 ( 0.000 0.000 -0.000) 0.000 11.051 ( 0.000 -0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 -0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 -0.000 -0.000) 0.000 11.877 ( -0.000 -0.000 0.000) 0.000 12.054 ( 0.000 -0.000 0.000) 0.000 12.054 ( 0.000 -0.000 -0.000) 0.000 12.318 ( -0.000 -0.000 0.000) 0.000 12.318 ( -0.000 -0.000 -0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 -0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.440 ( 0.000 0.000 -0.000) 0.000 13.602 ( -0.000 0.000 0.000) 0.000 13.602 ( 0.000 0.000 0.000) 0.000 14.132 ( -0.000 0.000 -0.000) 0.000 14.846 ( -0.000 0.000 0.000) 0.000 14.966 ( -0.000 -0.000 0.000) 0.000 14.966 ( 0.000 -0.000 0.000) 0.000 14.972 ( 0.000 0.000 -0.000) 0.000 14.972 ( 0.000 -0.000 -0.000) 0.000 15.414 ( 0.000 -0.000 0.000) 0.000 15.697 ( 0.000 0.000 -0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 17.512 ( 0.000 0.000 -0.000) 0.000 17.553 ( -0.000 -0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 17.587 ( -0.000 0.000 0.000) 0.000 18.059 ( 0.000 -0.000 0.000) 0.000 18.059 ( -0.000 0.000 0.000) 0.000 18.098 ( 0.000 0.000 0.000) 0.000 18.098 ( 0.000 -0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 19.375 ( 0.000 -0.000 0.000) 0.000 20.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 25.915 14.962 0.000) 29.924 0.696 ( 31.014 17.906 0.000) 35.812 1.056 ( 47.082 27.183 0.000) 54.365 2.350 ( 5.137 2.966 0.000) 5.932 2.354 ( 5.116 2.954 0.000) 5.908 2.538 ( 1.785 1.031 0.000) 2.062 2.892 ( 0.373 0.215 0.000) 0.430 3.036 ( 3.556 2.053 0.000) 4.106 3.384 ( 2.958 1.708 0.000) 3.415 3.391 ( 4.037 2.331 0.000) 4.662 3.603 ( -2.562 -1.479 0.000) 2.958 3.790 ( 2.218 1.281 0.000) 2.562 3.944 ( 13.260 7.656 0.000) 15.312 4.547 ( -19.416 -11.210 0.000) 22.420 4.564 ( -17.510 -10.109 0.000) 20.218 4.609 ( 0.211 0.122 0.000) 0.244 4.699 ( -4.686 -2.706 0.000) 5.411 4.707 ( -9.031 -5.214 0.000) 10.428 4.976 ( 1.566 0.904 0.000) 1.808 5.013 ( 4.360 2.517 0.000) 5.035 5.082 ( -2.910 -1.680 0.000) 3.360 5.092 ( -1.359 -0.784 0.000) 1.569 5.370 ( -6.952 -4.014 0.000) 8.027 5.415 ( -4.923 -2.843 0.000) 5.685 5.485 ( -0.318 -0.184 0.000) 0.368 5.534 ( 5.997 3.462 0.000) 6.924 6.028 ( 3.612 2.086 0.000) 4.171 6.679 ( 0.704 0.407 0.000) 0.813 7.195 ( -1.759 -1.016 0.000) 2.031 7.203 ( -0.838 -0.484 0.000) 0.967 7.308 ( -3.168 -1.829 0.000) 3.658 7.324 ( 0.665 0.384 0.000) 0.768 7.471 ( -7.811 -4.510 0.000) 9.019 7.507 ( -8.641 -4.989 0.000) 9.978 7.775 ( 3.816 2.203 0.000) 4.406 7.800 ( 2.227 1.286 0.000) 2.572 8.070 ( 16.272 9.395 0.000) 18.789 8.941 ( 5.598 3.232 0.000) 6.464 9.041 ( -5.500 -3.176 0.000) 6.351 9.243 ( -1.740 -1.004 0.000) 2.009 9.261 ( -1.890 -1.091 0.000) 2.182 9.488 ( -1.436 -0.829 0.000) 1.659 9.548 ( 3.526 2.036 0.000) 4.071 9.604 ( -0.746 -0.431 0.000) 0.861 9.818 ( -7.674 -4.430 0.000) 8.861 10.032 ( -10.356 -5.979 0.000) 11.958 10.112 ( -7.326 -4.230 0.000) 8.459 10.143 ( 2.464 1.422 0.000) 2.845 10.327 ( -12.778 -7.377 0.000) 14.754 10.327 ( 6.200 3.580 0.000) 7.159 10.574 ( 5.265 3.040 0.000) 6.080 10.993 ( -4.717 -2.724 0.000) 5.447 11.003 ( -3.944 -2.277 0.000) 4.554 11.626 ( -7.509 -4.335 0.000) 8.671 11.696 ( 8.766 5.061 0.000) 10.122 11.780 ( 14.145 8.167 0.000) 16.334 11.839 ( 1.447 0.835 0.000) 1.671 11.925 ( 10.320 5.958 0.000) 11.916 12.011 ( -3.117 -1.800 0.000) 3.599 12.052 ( 1.113 0.643 0.000) 1.285 12.243 ( -1.004 -0.579 0.000) 1.159 12.317 ( 0.170 0.098 0.000) 0.196 12.728 ( -2.449 -1.414 0.000) 2.828 12.980 ( -6.303 -3.639 0.000) 7.278 13.061 ( 0.774 0.447 0.000) 0.894 13.451 ( 0.900 0.519 0.000) 1.039 13.548 ( -4.066 -2.347 0.000) 4.694 13.614 ( 1.051 0.607 0.000) 1.214 14.263 ( 10.440 6.028 0.000) 12.056 14.730 ( -7.816 -4.513 0.000) 9.025 14.822 ( -10.921 -6.305 0.000) 12.611 14.897 ( -5.698 -3.290 0.000) 6.579 14.925 ( -4.263 -2.461 0.000) 4.922 15.063 ( 6.179 3.567 0.000) 7.134 15.520 ( 7.040 4.064 0.000) 8.129 15.686 ( -1.078 -0.623 0.000) 1.245 15.864 ( -0.480 -0.277 0.000) 0.554 16.896 ( -4.477 -2.585 0.000) 5.170 17.512 ( -0.098 -0.056 0.000) 0.113 17.565 ( 1.700 0.981 0.000) 1.963 17.578 ( -0.576 -0.332 0.000) 0.665 17.676 ( 7.200 4.157 0.000) 8.314 17.798 ( 1.804 1.041 0.000) 2.083 18.050 ( -0.085 -0.049 0.000) 0.098 18.070 ( 1.534 0.886 0.000) 1.772 18.126 ( 1.906 1.100 0.000) 2.201 18.150 ( 4.107 2.371 0.000) 4.742 19.296 ( -2.139 -1.235 0.000) 2.470 19.357 ( -1.763 -1.018 0.000) 2.036 20.858 ( -9.569 -5.525 0.000) 11.050 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 25.478 14.710 0.000) 29.419 1.350 ( 27.956 16.140 0.000) 32.280 2.065 ( 43.885 25.337 0.000) 50.674 2.494 ( 7.130 4.116 0.000) 8.233 2.515 ( 9.627 5.558 0.000) 11.117 2.596 ( 3.303 1.907 0.000) 3.814 2.900 ( 0.315 0.182 0.000) 0.364 3.149 ( 5.784 3.340 0.000) 6.679 3.464 ( 4.495 2.595 0.000) 5.190 3.517 ( 6.277 3.624 0.000) 7.248 3.559 ( -0.623 -0.359 0.000) 0.719 3.855 ( 3.437 1.984 0.000) 3.968 4.081 ( -21.889 -12.638 0.000) 25.275 4.157 ( -18.868 -10.894 0.000) 21.787 4.281 ( 12.288 7.094 0.000) 14.189 4.362 ( -14.084 -8.131 0.000) 16.262 4.515 ( -4.441 -2.564 0.000) 5.128 4.791 ( -0.060 -0.034 0.000) 0.069 4.871 ( -11.540 -6.662 0.000) 13.325 4.902 ( -10.925 -6.308 0.000) 12.615 5.059 ( 7.846 4.530 0.000) 9.060 5.119 ( 3.240 1.871 0.000) 3.741 5.156 ( -11.353 -6.555 0.000) 13.110 5.252 ( -8.683 -5.013 0.000) 10.026 5.499 ( -0.549 -0.317 0.000) 0.634 5.729 ( 9.543 5.509 0.000) 11.019 6.132 ( 5.709 3.296 0.000) 6.592 6.674 ( -1.556 -0.899 0.000) 1.797 7.098 ( -9.132 -5.273 0.000) 10.545 7.127 ( -4.454 -2.572 0.000) 5.143 7.189 ( -5.957 -3.439 0.000) 6.879 7.301 ( -4.573 -2.640 0.000) 5.281 7.385 ( -1.500 -0.866 0.000) 1.732 7.413 ( 2.236 1.291 0.000) 2.582 7.792 ( -2.676 -1.545 0.000) 3.090 7.874 ( 4.732 2.732 0.000) 5.464 8.450 ( 17.951 10.364 0.000) 20.728 8.876 ( -7.339 -4.237 0.000) 8.474 9.073 ( 4.251 2.454 0.000) 4.909 9.249 ( 0.937 0.541 0.000) 1.082 9.266 ( 4.197 2.423 0.000) 4.847 9.434 ( -2.957 -1.707 0.000) 3.415 9.541 ( -6.230 -3.597 0.000) 7.194 9.628 ( 3.663 2.115 0.000) 4.230 9.635 ( -7.058 -4.075 0.000) 8.150 9.775 ( -10.022 -5.786 0.000) 11.573 9.955 ( -7.011 -4.048 0.000) 8.095 10.072 ( -10.125 -5.846 0.000) 11.692 10.208 ( 2.723 1.572 0.000) 3.144 10.534 ( 11.855 6.844 0.000) 13.689 10.717 ( 6.034 3.484 0.000) 6.967 10.871 ( -5.850 -3.378 0.000) 6.755 10.930 ( 0.019 0.011 0.000) 0.022 11.424 ( -10.658 -6.154 0.000) 12.307 11.660 ( -6.962 -4.019 0.000) 8.039 11.791 ( -5.525 -3.190 0.000) 6.380 11.956 ( -2.256 -1.303 0.000) 2.605 11.976 ( 1.659 0.958 0.000) 1.915 12.112 ( 5.430 3.135 0.000) 6.270 12.218 ( -0.841 -0.485 0.000) 0.971 12.378 ( 7.874 4.546 0.000) 9.092 12.422 ( 24.633 14.222 0.000) 28.444 12.657 ( -3.715 -2.145 0.000) 4.290 12.794 ( -10.154 -5.863 0.000) 11.725 13.093 ( 2.349 1.356 0.000) 2.712 13.455 ( -3.816 -2.203 0.000) 4.406 13.473 ( 0.994 0.574 0.000) 1.148 13.647 ( 1.861 1.075 0.000) 2.149 14.514 ( 9.680 5.589 0.000) 11.177 14.529 ( -10.158 -5.864 0.000) 11.729 14.560 ( -12.226 -7.058 0.000) 14.117 14.734 ( -8.683 -5.013 0.000) 10.026 14.806 ( -4.906 -2.833 0.000) 5.665 15.194 ( 5.062 2.922 0.000) 5.845 15.643 ( -2.824 -1.630 0.000) 3.260 15.666 ( 6.025 3.479 0.000) 6.958 15.844 ( -1.351 -0.780 0.000) 1.560 16.760 ( -7.607 -4.392 0.000) 8.784 17.504 ( -0.519 -0.300 0.000) 0.600 17.567 ( -0.487 -0.281 0.000) 0.563 17.623 ( 3.224 1.861 0.000) 3.722 17.843 ( 2.105 1.215 0.000) 2.431 17.881 ( 10.489 6.056 0.000) 12.112 18.075 ( 2.758 1.592 0.000) 3.184 18.131 ( 3.803 2.196 0.000) 4.392 18.174 ( 2.651 1.530 0.000) 3.061 18.266 ( 6.243 3.604 0.000) 7.208 19.226 ( -4.230 -2.442 0.000) 4.885 19.292 ( -4.156 -2.400 0.000) 4.799 20.565 ( -16.414 -9.477 0.000) 18.953 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 24.769 14.300 0.000) 28.600 1.917 ( 23.195 13.392 0.000) 26.784 2.651 ( 5.936 3.427 0.000) 6.855 2.686 ( 5.649 3.261 0.000) 6.523 2.761 ( 12.842 7.414 0.000) 14.829 2.890 ( 2.457 1.419 0.000) 2.837 2.962 ( 30.460 17.586 0.000) 35.172 3.231 ( 0.928 0.536 0.000) 1.072 3.535 ( 1.795 1.037 0.000) 2.073 3.573 ( 0.257 0.149 0.000) 0.297 3.605 ( -18.253 -10.538 0.000) 21.076 3.720 ( 8.294 4.788 0.000) 9.577 3.774 ( -10.341 -5.970 0.000) 11.941 3.902 ( -2.518 -1.454 0.000) 2.908 4.101 ( -5.607 -3.237 0.000) 6.475 4.168 ( -11.922 -6.883 0.000) 13.766 4.581 ( -11.810 -6.818 0.000) 13.637 4.594 ( -7.918 -4.571 0.000) 9.142 4.691 ( -8.266 -4.772 0.000) 9.545 4.851 ( 2.729 1.575 0.000) 3.151 4.908 ( 2.077 1.199 0.000) 2.398 4.964 ( -13.255 -7.653 0.000) 15.305 5.208 ( 5.384 3.108 0.000) 6.217 5.401 ( 16.523 9.540 0.000) 19.080 5.406 ( -8.369 -4.832 0.000) 9.663 5.915 ( 6.996 4.039 0.000) 8.079 6.272 ( 6.294 3.634 0.000) 7.268 6.594 ( -6.233 -3.599 0.000) 7.197 6.865 ( -10.414 -6.013 0.000) 12.025 7.002 ( -6.144 -3.548 0.000) 7.095 7.093 ( -2.722 -1.571 0.000) 3.143 7.174 ( -6.124 -3.536 0.000) 7.071 7.363 ( -0.764 -0.441 0.000) 0.883 7.481 ( 0.783 0.452 0.000) 0.905 7.726 ( -1.227 -0.709 0.000) 1.417 7.968 ( 3.524 2.035 0.000) 4.069 8.776 ( -1.190 -0.687 0.000) 1.374 8.851 ( 18.013 10.400 0.000) 20.799 9.108 ( 0.425 0.246 0.000) 0.491 9.219 ( -4.147 -2.394 0.000) 4.789 9.344 ( -7.475 -4.316 0.000) 8.631 9.416 ( -0.052 -0.030 0.000) 0.060 9.447 ( 10.036 5.795 0.000) 11.589 9.522 ( -4.139 -2.390 0.000) 4.780 9.626 ( -3.824 -2.208 0.000) 4.416 9.721 ( 5.166 2.982 0.000) 5.965 9.826 ( -5.244 -3.028 0.000) 6.056 9.861 ( -8.687 -5.015 0.000) 10.030 10.212 ( -3.035 -1.752 0.000) 3.505 10.713 ( 0.459 0.265 0.000) 0.530 10.750 ( -4.832 -2.790 0.000) 5.580 10.874 ( 12.756 7.364 0.000) 14.729 11.080 ( 7.284 4.205 0.000) 8.410 11.198 ( -4.494 -2.595 0.000) 5.189 11.474 ( -9.045 -5.222 0.000) 10.444 11.639 ( -7.554 -4.361 0.000) 8.723 11.874 ( -5.140 -2.967 0.000) 5.935 11.976 ( -0.608 -0.351 0.000) 0.702 12.135 ( -1.460 -0.843 0.000) 1.686 12.215 ( 0.097 0.056 0.000) 0.112 12.554 ( -10.734 -6.197 0.000) 12.394 12.574 ( -3.721 -2.149 0.000) 4.297 12.627 ( 11.721 6.767 0.000) 13.535 12.908 ( 16.141 9.319 0.000) 18.638 13.189 ( 8.242 4.759 0.000) 9.517 13.403 ( -0.165 -0.096 0.000) 0.191 13.488 ( 0.262 0.151 0.000) 0.302 13.695 ( 2.523 1.457 0.000) 2.913 14.282 ( -12.151 -7.015 0.000) 14.031 14.313 ( -9.484 -5.475 0.000) 10.951 14.485 ( -9.894 -5.712 0.000) 11.424 14.531 ( -9.696 -5.598 0.000) 11.196 14.886 ( 9.767 5.639 0.000) 11.278 15.265 ( 1.199 0.692 0.000) 1.384 15.567 ( -3.974 -2.294 0.000) 4.588 15.799 ( 6.394 3.692 0.000) 7.383 15.808 ( -1.683 -0.972 0.000) 1.944 16.573 ( -9.116 -5.263 0.000) 10.527 17.495 ( -0.273 -0.157 0.000) 0.315 17.553 ( -0.805 -0.465 0.000) 0.929 17.693 ( 2.886 1.667 0.000) 3.333 17.885 ( 1.692 0.977 0.000) 1.953 18.074 ( 6.352 3.667 0.000) 7.334 18.153 ( 2.431 1.404 0.000) 2.807 18.225 ( 4.294 2.479 0.000) 4.958 18.308 ( 11.141 6.432 0.000) 12.864 18.420 ( 7.558 4.363 0.000) 8.727 19.111 ( -6.122 -3.534 0.000) 7.069 19.182 ( -5.258 -3.036 0.000) 6.071 20.160 ( -19.653 -11.346 0.000) 22.693 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 23.592 13.621 0.000) 27.241 2.362 ( 16.829 9.716 0.000) 19.432 2.737 ( 2.603 1.503 0.000) 3.005 2.829 ( 5.246 3.029 0.000) 6.058 2.842 ( -4.077 -2.354 0.000) 4.708 3.061 ( 12.520 7.228 0.000) 14.457 3.197 ( -8.282 -4.781 0.000) 9.563 3.246 ( -10.134 -5.851 0.000) 11.702 3.273 ( -11.983 -6.918 0.000) 13.836 3.309 ( 1.644 0.949 0.000) 1.899 3.714 ( -4.641 -2.679 0.000) 5.359 3.734 ( -8.373 -4.834 0.000) 9.668 3.886 ( 9.802 5.659 0.000) 11.318 3.969 ( 13.480 7.783 0.000) 15.566 4.051 ( 16.009 9.243 0.000) 18.486 4.156 ( 6.684 3.859 0.000) 7.718 4.370 ( -6.705 -3.871 0.000) 7.742 4.390 ( -9.154 -5.285 0.000) 10.571 4.494 ( -8.843 -5.105 0.000) 10.211 4.646 ( -8.017 -4.629 0.000) 9.257 4.653 ( -14.194 -8.195 0.000) 16.390 5.100 ( -10.875 -6.279 0.000) 12.558 5.153 ( -2.900 -1.674 0.000) 3.349 5.505 ( 21.065 12.162 0.000) 24.324 5.763 ( 15.412 8.898 0.000) 17.796 6.033 ( 3.716 2.145 0.000) 4.291 6.321 ( -4.493 -2.594 0.000) 5.188 6.372 ( -14.186 -8.190 0.000) 16.381 6.733 ( 0.665 0.384 0.000) 0.768 6.895 ( -3.114 -1.798 0.000) 3.596 7.055 ( -4.370 -2.523 0.000) 5.046 7.057 ( -0.817 -0.471 0.000) 0.943 7.349 ( -0.461 -0.266 0.000) 0.532 7.393 ( -6.586 -3.803 0.000) 7.605 7.781 ( 4.175 2.411 0.000) 4.821 8.026 ( 1.793 1.035 0.000) 2.071 8.809 ( 2.992 1.728 0.000) 3.455 9.120 ( 0.708 0.409 0.000) 0.817 9.131 ( -1.881 -1.086 0.000) 2.172 9.209 ( 13.061 7.541 0.000) 15.082 9.210 ( -4.333 -2.502 0.000) 5.004 9.389 ( -4.586 -2.648 0.000) 5.296 9.477 ( 0.618 0.357 0.000) 0.714 9.579 ( -0.985 -0.569 0.000) 1.137 9.658 ( 8.897 5.136 0.000) 10.273 9.670 ( -6.271 -3.621 0.000) 7.241 9.753 ( -2.739 -1.581 0.000) 3.163 9.854 ( 6.138 3.544 0.000) 7.087 10.097 ( -6.252 -3.610 0.000) 7.220 10.618 ( -8.807 -5.085 0.000) 10.170 10.668 ( -2.506 -1.447 0.000) 2.893 11.028 ( 1.462 0.844 0.000) 1.688 11.150 ( 7.621 4.400 0.000) 8.800 11.295 ( -6.481 -3.742 0.000) 7.484 11.438 ( 14.195 8.195 0.000) 16.391 11.489 ( -4.650 -2.685 0.000) 5.369 11.758 ( -4.488 -2.591 0.000) 5.182 11.962 ( -0.600 -0.346 0.000) 0.692 12.096 ( -1.611 -0.930 0.000) 1.860 12.143 ( -8.545 -4.933 0.000) 9.866 12.387 ( -2.415 -1.394 0.000) 2.788 12.506 ( -2.455 -1.417 0.000) 2.834 12.837 ( 6.929 4.000 0.000) 8.001 13.056 ( 0.894 0.516 0.000) 1.032 13.409 ( 5.145 2.971 0.000) 5.941 13.485 ( -0.410 -0.237 0.000) 0.474 13.552 ( 15.812 9.129 0.000) 18.258 13.759 ( 3.343 1.930 0.000) 3.860 14.031 ( -9.988 -5.767 0.000) 11.533 14.141 ( -5.749 -3.319 0.000) 6.638 14.231 ( -12.385 -7.150 0.000) 14.301 14.316 ( -8.908 -5.143 0.000) 10.287 15.086 ( 7.458 4.306 0.000) 8.611 15.258 ( -1.182 -0.682 0.000) 1.365 15.477 ( -3.904 -2.254 0.000) 4.508 15.776 ( -1.087 -0.627 0.000) 1.255 15.954 ( 7.544 4.356 0.000) 8.711 16.370 ( -8.998 -5.195 0.000) 10.390 17.493 ( 0.035 0.020 0.000) 0.040 17.535 ( -0.729 -0.421 0.000) 0.842 17.743 ( 1.607 0.928 0.000) 1.855 17.915 ( 0.934 0.539 0.000) 1.078 18.181 ( 0.614 0.355 0.000) 0.709 18.194 ( 4.588 2.649 0.000) 5.298 18.305 ( 2.713 1.566 0.000) 3.132 18.575 ( 10.175 5.874 0.000) 11.749 18.595 ( 8.232 4.753 0.000) 9.505 18.959 ( -7.521 -4.342 0.000) 8.684 19.111 ( 0.954 0.551 0.000) 1.102 19.721 ( -19.562 -11.294 0.000) 22.588 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -0.000 -0.000 0.000) 0.000 2.707 ( -0.000 -0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.375 ( -0.000 -0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.200 ( -0.000 -0.000 0.000) 0.000 4.305 ( -0.000 -0.000 0.000) 0.000 4.311 ( -0.000 -0.000 0.000) 0.000 4.381 ( -0.000 -0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.553 ( -0.000 -0.000 0.000) 0.000 4.603 ( -0.000 -0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 5.170 ( -0.000 -0.000 0.000) 0.000 5.971 ( -0.000 -0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.144 ( -0.000 -0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 10.000 ( -0.000 -0.000 0.000) 0.000 10.475 ( -0.000 -0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 11.080 ( -0.000 -0.000 0.000) 0.000 11.200 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.647 ( 0.000 0.000 0.000) 0.000 11.725 ( 0.000 0.000 0.000) 0.000 11.954 ( 0.000 0.000 0.000) 0.000 11.964 ( -0.000 -0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.848 ( -0.000 -0.000 0.000) 0.000 13.875 ( -0.000 -0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.075 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 15.180 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.422 ( 0.000 0.000 0.000) 0.000 15.764 ( 0.000 0.000 0.000) 0.000 16.086 ( -0.000 -0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.761 ( 0.000 0.000 0.000) 0.000 17.925 ( 0.000 0.000 0.000) 0.000 18.187 ( 0.000 0.000 0.000) 0.000 18.252 ( 0.000 0.000 0.000) 0.000 18.336 ( 0.000 0.000 0.000) 0.000 18.679 ( 0.000 0.000 0.000) 0.000 18.760 ( -0.000 -0.000 0.000) 0.000 18.803 ( 0.000 0.000 0.000) 0.000 19.254 ( -0.000 -0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 14.153 24.514 0.000) 28.306 1.182 ( 16.711 28.943 0.000) 33.421 1.810 ( 26.381 45.693 0.000) 52.762 2.452 ( 4.397 7.616 0.000) 8.794 2.458 ( 4.148 7.184 0.000) 8.295 2.579 ( 1.866 3.231 0.000) 3.731 2.898 ( 0.242 0.420 0.000) 0.485 3.118 ( 3.661 6.341 0.000) 7.322 3.444 ( 2.423 4.197 0.000) 4.847 3.470 ( 3.418 5.920 0.000) 6.836 3.566 ( -1.229 -2.128 0.000) 2.457 3.835 ( 1.860 3.222 0.000) 3.720 4.188 ( 8.572 14.848 0.000) 17.145 4.225 ( -11.586 -20.068 0.000) 23.172 4.255 ( -11.567 -20.034 0.000) 23.134 4.488 ( -7.736 -13.399 0.000) 15.472 4.498 ( -5.191 -8.991 0.000) 10.382 4.811 ( 5.245 9.085 0.000) 10.490 4.893 ( -6.903 -11.956 0.000) 13.806 4.999 ( -1.090 -1.888 0.000) 2.180 5.040 ( -3.941 -6.827 0.000) 7.883 5.093 ( 3.135 5.430 0.000) 6.270 5.191 ( -6.871 -11.901 0.000) 13.743 5.296 ( -5.628 -9.748 0.000) 11.256 5.582 ( 3.245 5.620 0.000) 6.490 5.610 ( 3.476 6.021 0.000) 6.952 6.101 ( 3.061 5.303 0.000) 6.123 6.683 ( -0.225 -0.389 0.000) 0.449 7.136 ( -3.010 -5.214 0.000) 6.020 7.201 ( -1.339 -2.320 0.000) 2.678 7.217 ( -3.826 -6.627 0.000) 7.652 7.273 ( -4.089 -7.082 0.000) 8.177 7.352 ( 0.599 1.037 0.000) 1.197 7.522 ( -0.743 -1.287 0.000) 1.486 7.675 ( -1.213 -2.102 0.000) 2.427 7.936 ( 2.250 3.898 0.000) 4.501 8.329 ( 9.826 17.019 0.000) 19.652 8.931 ( -4.303 -7.452 0.000) 8.605 9.033 ( 2.466 4.271 0.000) 4.932 9.215 ( 0.181 0.313 0.000) 0.361 9.263 ( 1.361 2.358 0.000) 2.723 9.509 ( -0.787 -1.363 0.000) 1.573 9.519 ( -0.323 -0.560 0.000) 0.646 9.631 ( 0.678 1.174 0.000) 1.356 9.683 ( -5.045 -8.738 0.000) 10.090 9.860 ( -5.529 -9.577 0.000) 11.059 9.983 ( -4.693 -8.128 0.000) 9.385 10.031 ( -6.161 -10.671 0.000) 12.321 10.262 ( 0.540 0.935 0.000) 1.080 10.492 ( 6.510 11.275 0.000) 13.019 10.659 ( 4.276 7.406 0.000) 8.552 10.872 ( -3.461 -5.995 0.000) 6.922 10.980 ( -1.707 -2.957 0.000) 3.414 11.476 ( -6.093 -10.554 0.000) 12.187 11.718 ( -2.154 -3.730 0.000) 4.307 11.791 ( -2.994 -5.186 0.000) 5.988 11.948 ( 0.998 1.728 0.000) 1.996 11.998 ( -1.679 -2.907 0.000) 3.357 12.136 ( 4.954 8.580 0.000) 9.907 12.150 ( 8.072 13.981 0.000) 16.144 12.290 ( 5.647 9.781 0.000) 11.294 12.336 ( 3.268 5.660 0.000) 6.535 12.679 ( -1.962 -3.399 0.000) 3.925 12.851 ( -5.367 -9.295 0.000) 10.733 13.083 ( 1.102 1.909 0.000) 2.204 13.451 ( -2.104 -3.644 0.000) 4.208 13.478 ( -0.291 -0.503 0.000) 0.581 13.650 ( 1.269 2.197 0.000) 2.537 14.448 ( 6.602 11.434 0.000) 13.203 14.590 ( -5.477 -9.487 0.000) 10.955 14.635 ( -6.898 -11.948 0.000) 13.796 14.785 ( -4.769 -8.260 0.000) 9.538 14.826 ( -3.832 -6.638 0.000) 7.664 15.176 ( 4.088 7.081 0.000) 8.177 15.612 ( 1.695 2.936 0.000) 3.390 15.669 ( 0.069 0.120 0.000) 0.138 15.850 ( -0.689 -1.193 0.000) 1.377 16.803 ( -4.028 -6.977 0.000) 8.056 17.509 ( -0.244 -0.422 0.000) 0.488 17.553 ( 0.127 0.219 0.000) 0.253 17.638 ( 1.308 2.266 0.000) 2.616 17.780 ( 4.788 8.292 0.000) 9.575 17.848 ( 2.179 3.774 0.000) 4.358 18.064 ( 0.728 1.261 0.000) 1.456 18.098 ( 1.897 3.286 0.000) 3.795 18.190 ( 2.363 4.094 0.000) 4.727 18.211 ( 2.686 4.652 0.000) 5.372 19.248 ( -2.244 -3.888 0.000) 4.489 19.318 ( -1.793 -3.106 0.000) 3.587 20.658 ( -8.621 -14.933 0.000) 17.243 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 19.585 18.500 0.000) 26.942 1.728 ( 18.951 21.871 0.000) 28.939 2.606 ( 5.579 7.466 0.000) 9.320 2.622 ( 6.644 5.375 0.000) 8.546 2.671 ( 10.124 13.307 0.000) 16.720 2.689 ( 24.523 29.266 0.000) 38.182 2.904 ( -0.015 0.100 0.000) 0.101 3.236 ( 2.067 4.751 0.000) 5.181 3.530 ( -0.497 -0.602 0.000) 0.781 3.544 ( 3.895 5.104 0.000) 6.421 3.613 ( 7.057 4.619 0.000) 8.435 3.790 ( -16.613 -15.862 0.000) 22.969 3.851 ( -9.467 -16.191 0.000) 18.756 3.915 ( -1.295 -0.426 0.000) 1.364 4.176 ( -9.166 -9.991 0.000) 13.559 4.227 ( -7.261 -11.857 0.000) 13.904 4.586 ( 0.921 -1.388 0.000) 1.666 4.705 ( 1.249 3.995 0.000) 4.185 4.802 ( -7.798 -6.059 0.000) 9.876 4.840 ( -8.288 1.889 0.000) 8.501 4.947 ( -7.214 -10.986 0.000) 13.143 5.049 ( -2.634 -7.758 0.000) 8.193 5.083 ( 1.387 -7.979 0.000) 8.099 5.313 ( 10.793 15.569 0.000) 18.944 5.571 ( -9.349 5.825 0.000) 11.015 5.781 ( 10.512 -0.679 0.000) 10.534 6.225 ( 4.943 6.248 0.000) 7.967 6.653 ( -2.898 -1.008 0.000) 3.069 6.969 ( -8.726 -7.724 0.000) 11.654 7.074 ( -5.198 -6.454 0.000) 8.287 7.090 ( -3.458 -5.049 0.000) 6.120 7.216 ( -3.544 -1.392 0.000) 3.807 7.398 ( 5.126 -1.673 0.000) 5.393 7.458 ( -5.831 2.917 0.000) 6.519 7.670 ( 3.260 -6.344 0.000) 7.133 7.973 ( -0.493 3.065 0.000) 3.105 8.686 ( 14.484 14.022 0.000) 20.159 8.808 ( -3.366 -2.369 0.000) 4.117 9.057 ( 1.534 -2.565 0.000) 2.989 9.294 ( -0.068 4.630 0.000) 4.631 9.341 ( 5.917 3.661 0.000) 6.958 9.416 ( -6.075 -3.846 0.000) 7.190 9.487 ( -4.173 1.491 0.000) 4.431 9.574 ( -1.917 -1.763 0.000) 2.605 9.631 ( -1.001 -0.494 0.000) 1.117 9.721 ( -1.797 -3.613 0.000) 4.035 9.807 ( -4.142 -7.283 0.000) 8.378 9.882 ( -1.931 -9.428 0.000) 9.624 10.269 ( -2.027 1.521 0.000) 2.534 10.720 ( 1.640 6.244 0.000) 6.456 10.760 ( 3.561 2.278 0.000) 4.227 10.854 ( 0.789 6.583 0.000) 6.630 10.962 ( 6.996 2.709 0.000) 7.503 11.245 ( -7.722 -11.593 0.000) 13.929 11.576 ( -8.459 -5.145 0.000) 9.901 11.669 ( -3.570 -8.331 0.000) 9.063 11.914 ( -3.925 -3.488 0.000) 5.250 11.960 ( 0.620 -2.174 0.000) 2.261 12.177 ( -1.933 1.652 0.000) 2.543 12.211 ( -0.399 -0.887 0.000) 0.973 12.561 ( 4.912 9.689 0.000) 10.862 12.607 ( -2.906 -2.871 0.000) 4.085 12.645 ( -1.313 0.308 0.000) 1.348 12.723 ( 15.586 11.829 0.000) 19.567 13.138 ( 2.847 3.228 0.000) 4.304 13.365 ( -0.764 -5.849 0.000) 5.898 13.496 ( 0.491 1.305 0.000) 1.395 13.692 ( 1.002 2.867 0.000) 3.037 14.379 ( -8.483 -9.471 0.000) 12.714 14.400 ( -8.643 -8.856 0.000) 12.375 14.536 ( -4.551 -6.878 0.000) 8.248 14.600 ( -7.179 -8.793 0.000) 11.352 14.805 ( 6.497 6.269 0.000) 9.029 15.299 ( 1.257 7.482 0.000) 7.587 15.582 ( -1.687 -4.166 0.000) 4.494 15.731 ( 3.822 2.261 0.000) 4.441 15.819 ( -1.218 -1.726 0.000) 2.113 16.639 ( -6.706 -8.132 0.000) 10.540 17.497 ( -0.431 -0.582 0.000) 0.724 17.557 ( -0.109 -0.259 0.000) 0.281 17.676 ( 1.269 2.021 0.000) 2.386 17.900 ( 0.349 5.894 0.000) 5.905 17.986 ( 8.817 4.237 0.000) 9.783 18.106 ( 2.609 1.684 0.000) 3.105 18.213 ( 6.215 7.463 0.000) 9.712 18.258 ( 0.707 6.157 0.000) 6.198 18.337 ( 6.891 3.753 0.000) 7.847 19.149 ( -4.100 -5.426 0.000) 6.801 19.236 ( -4.185 -3.490 0.000) 5.449 20.311 ( -14.291 -16.506 0.000) 21.833 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 22.151 13.768 0.000) 26.081 2.204 ( 16.268 15.654 0.000) 22.576 2.724 ( 2.556 3.919 0.000) 4.679 2.772 ( 6.113 5.790 0.000) 8.419 2.879 ( -0.559 0.463 0.000) 0.726 2.916 ( 10.277 6.324 0.000) 12.067 3.243 ( -0.522 1.546 0.000) 1.632 3.281 ( 4.386 6.497 0.000) 7.839 3.357 ( -13.248 -13.280 0.000) 18.758 3.402 ( -14.379 -16.447 0.000) 21.847 3.665 ( 7.960 7.529 0.000) 10.956 3.749 ( 6.092 0.027 0.000) 6.092 3.815 ( 8.797 10.192 0.000) 13.463 3.880 ( 1.253 4.176 0.000) 4.360 3.990 ( -2.701 -7.446 0.000) 7.921 4.109 ( 2.656 2.544 0.000) 3.678 4.418 ( -5.503 -7.772 0.000) 9.523 4.504 ( -11.328 -6.490 0.000) 13.056 4.647 ( -11.665 -1.508 0.000) 11.762 4.718 ( -8.287 -8.231 0.000) 11.680 4.774 ( -11.536 -10.836 0.000) 15.827 5.043 ( 8.003 1.146 0.000) 8.085 5.258 ( 17.514 7.909 0.000) 19.217 5.378 ( -17.174 0.791 0.000) 17.192 5.690 ( 12.407 19.545 0.000) 23.151 5.921 ( 8.808 -3.503 0.000) 9.479 6.330 ( -0.824 0.591 0.000) 1.014 6.561 ( -7.419 2.287 0.000) 7.763 6.770 ( -6.551 -4.254 0.000) 7.811 6.937 ( -4.567 -4.443 0.000) 6.371 7.006 ( -0.111 -5.797 0.000) 5.798 7.120 ( -4.832 -1.673 0.000) 5.113 7.393 ( -4.656 2.312 0.000) 5.199 7.432 ( -0.518 -4.235 0.000) 4.267 7.680 ( 5.764 -4.002 0.000) 7.017 7.999 ( 1.592 0.171 0.000) 1.601 8.795 ( 1.380 2.642 0.000) 2.980 9.048 ( 14.071 9.468 0.000) 16.960 9.076 ( 2.753 -0.010 0.000) 2.753 9.234 ( -8.104 -1.645 0.000) 8.269 9.281 ( -4.535 0.904 0.000) 4.624 9.428 ( -0.255 0.502 0.000) 0.563 9.475 ( -2.374 -2.242 0.000) 3.266 9.564 ( 3.466 0.830 0.000) 3.564 9.612 ( 0.167 3.729 0.000) 3.733 9.697 ( -0.910 -4.197 0.000) 4.295 9.763 ( 0.631 -2.674 0.000) 2.747 9.810 ( 2.553 3.367 0.000) 4.226 10.194 ( -6.991 -1.573 0.000) 7.165 10.663 ( -2.676 -3.924 0.000) 4.750 10.753 ( -7.965 0.145 0.000) 7.966 10.993 ( 1.074 -3.822 0.000) 3.970 11.084 ( 6.495 7.704 0.000) 10.077 11.252 ( 11.529 3.900 0.000) 12.170 11.395 ( -5.433 -1.271 0.000) 5.580 11.527 ( -4.235 -6.140 0.000) 7.459 11.799 ( -4.575 -4.585 0.000) 6.477 11.947 ( 0.609 -2.425 0.000) 2.501 12.123 ( -3.160 -1.416 0.000) 3.463 12.197 ( -2.706 -2.764 0.000) 3.868 12.426 ( -5.379 -5.375 0.000) 7.604 12.536 ( -2.795 -1.865 0.000) 3.360 12.823 ( 3.840 12.372 0.000) 12.955 13.053 ( 4.502 6.280 0.000) 7.727 13.292 ( 12.849 4.627 0.000) 13.657 13.349 ( 6.040 -4.183 0.000) 7.347 13.518 ( 0.825 2.441 0.000) 2.577 13.740 ( 1.681 2.676 0.000) 3.160 14.137 ( -9.947 -7.799 0.000) 12.640 14.204 ( -6.689 -5.645 0.000) 8.753 14.312 ( -8.687 -11.918 0.000) 14.748 14.389 ( -7.812 -8.777 0.000) 11.750 15.010 ( 7.823 6.951 0.000) 10.465 15.338 ( -4.256 6.242 0.000) 7.555 15.510 ( -2.619 -2.945 0.000) 3.942 15.779 ( -0.763 -1.860 0.000) 2.010 15.843 ( 7.830 0.578 0.000) 7.851 16.438 ( -7.520 -8.820 0.000) 11.590 17.488 ( 0.070 -0.530 0.000) 0.535 17.544 ( -0.865 -0.361 0.000) 0.937 17.716 ( 2.018 0.096 0.000) 2.020 17.949 ( -1.094 5.907 0.000) 6.007 18.137 ( 5.405 2.020 0.000) 5.770 18.164 ( 2.274 2.174 0.000) 3.146 18.324 ( 0.246 6.464 0.000) 6.468 18.455 ( 11.215 8.048 0.000) 13.804 18.503 ( 8.576 4.789 0.000) 9.823 19.015 ( -5.245 -6.027 0.000) 7.990 19.130 ( -3.866 -2.618 0.000) 4.669 19.894 ( -16.661 -16.093 0.000) 23.164 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 22.700 9.538 0.000) 24.623 2.549 ( 10.375 9.123 0.000) 13.815 2.767 ( -2.357 -0.333 0.000) 2.380 2.809 ( -5.077 0.117 0.000) 5.079 2.878 ( 0.029 1.268 0.000) 1.269 2.973 ( -14.069 -13.163 0.000) 19.267 3.075 ( -2.645 -5.734 0.000) 6.315 3.191 ( 9.275 0.837 0.000) 9.312 3.265 ( 3.063 1.022 0.000) 3.229 3.310 ( -0.143 -0.588 0.000) 0.606 3.534 ( -6.145 -9.904 0.000) 11.655 3.660 ( -6.338 -5.097 0.000) 8.133 4.038 ( 4.696 9.522 0.000) 10.617 4.073 ( 8.922 4.689 0.000) 10.079 4.239 ( 6.934 3.639 0.000) 7.831 4.273 ( -6.867 -5.707 0.000) 8.929 4.311 ( -2.192 -2.356 0.000) 3.218 4.410 ( 21.990 23.390 0.000) 32.104 4.448 ( -9.116 0.603 0.000) 9.136 4.482 ( -10.315 -8.217 0.000) 13.188 4.564 ( -2.941 -3.646 0.000) 4.685 4.981 ( -26.134 -4.240 0.000) 26.475 5.105 ( 3.904 -5.880 0.000) 7.058 5.701 ( 20.547 9.792 0.000) 22.761 5.970 ( 5.434 -3.092 0.000) 6.252 6.100 ( 9.647 18.711 0.000) 21.052 6.120 ( -14.070 -10.603 0.000) 17.618 6.417 ( -18.709 5.738 0.000) 19.569 6.734 ( 4.330 -2.086 0.000) 4.807 6.852 ( -1.434 -3.146 0.000) 3.458 6.988 ( 3.663 -4.653 0.000) 5.922 7.060 ( -2.556 2.506 0.000) 3.580 7.292 ( -4.455 -4.332 0.000) 6.214 7.389 ( -2.169 2.136 0.000) 3.044 7.753 ( 6.325 -5.241 0.000) 8.214 8.021 ( 1.815 -1.790 0.000) 2.550 8.862 ( 1.164 3.700 0.000) 3.879 9.115 ( -2.464 -2.313 0.000) 3.379 9.144 ( 3.585 3.650 0.000) 5.116 9.217 ( -3.828 2.642 0.000) 4.651 9.300 ( 5.141 0.868 0.000) 5.214 9.334 ( -4.194 -1.560 0.000) 4.475 9.482 ( 1.019 -0.145 0.000) 1.029 9.557 ( 0.175 -2.224 0.000) 2.231 9.631 ( -2.950 0.849 0.000) 3.070 9.737 ( 3.737 3.820 0.000) 5.344 9.789 ( 1.858 5.344 0.000) 5.658 9.923 ( 3.552 2.944 0.000) 4.613 10.044 ( -6.908 -2.659 0.000) 7.402 10.525 ( -6.984 -3.754 0.000) 7.929 10.647 ( -1.744 -0.890 0.000) 1.958 11.019 ( 4.651 -2.229 0.000) 5.158 11.189 ( 0.363 -1.642 0.000) 1.682 11.234 ( -2.469 -2.061 0.000) 3.216 11.467 ( 0.009 2.041 0.000) 2.041 11.586 ( 9.259 5.467 0.000) 10.752 11.716 ( 0.168 -0.603 0.000) 0.626 11.937 ( 0.573 -2.030 0.000) 2.110 12.021 ( -8.891 -6.879 0.000) 11.241 12.070 ( -0.716 -2.005 0.000) 2.129 12.385 ( 0.142 0.998 0.000) 1.008 12.485 ( -1.498 -0.747 0.000) 1.674 12.947 ( 0.056 6.549 0.000) 6.549 13.088 ( -1.915 2.952 0.000) 3.519 13.396 ( 4.350 -3.105 0.000) 5.345 13.487 ( 2.833 0.208 0.000) 2.841 13.685 ( 14.644 3.600 0.000) 15.080 13.805 ( 3.518 2.497 0.000) 4.314 13.931 ( -6.989 -4.506 0.000) 8.316 14.022 ( -7.712 -11.401 0.000) 13.765 14.113 ( -3.916 -1.759 0.000) 4.293 14.206 ( -3.961 -5.837 0.000) 7.054 15.165 ( 3.892 3.821 0.000) 5.454 15.307 ( -4.502 4.157 0.000) 6.127 15.447 ( -2.972 0.440 0.000) 3.004 15.756 ( 0.039 -1.412 0.000) 1.413 15.999 ( 9.288 0.368 0.000) 9.295 16.237 ( -5.794 -8.593 0.000) 10.364 17.488 ( 0.340 -0.342 0.000) 0.482 17.528 ( -0.499 -0.326 0.000) 0.596 17.740 ( 1.540 -1.326 0.000) 2.032 17.976 ( -2.408 5.690 0.000) 6.178 18.181 ( 0.680 0.171 0.000) 0.702 18.243 ( 2.249 2.147 0.000) 3.109 18.373 ( -1.225 4.963 0.000) 5.112 18.650 ( 5.959 2.727 0.000) 6.553 18.701 ( 6.239 5.522 0.000) 8.332 18.863 ( -6.594 -5.406 0.000) 8.527 19.146 ( 8.608 2.643 0.000) 9.005 19.478 ( -15.099 -13.669 0.000) 20.367 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 11.567 20.034 0.000) 23.133 2.141 ( 11.817 20.468 0.000) 23.635 2.712 ( 2.844 4.925 0.000) 5.687 2.759 ( 4.539 7.862 0.000) 9.079 2.841 ( 5.665 9.812 0.000) 11.330 2.900 ( -0.240 -0.416 0.000) 0.480 3.240 ( 5.912 10.239 0.000) 11.823 3.296 ( 1.429 2.475 0.000) 2.858 3.410 ( -9.851 -17.063 0.000) 19.703 3.437 ( -12.107 -20.969 0.000) 24.213 3.649 ( 11.395 19.736 0.000) 22.790 3.663 ( -1.346 -2.332 0.000) 2.693 3.790 ( 6.873 11.905 0.000) 13.747 3.907 ( -0.372 -0.645 0.000) 0.745 3.967 ( -5.455 -9.448 0.000) 10.909 4.102 ( 0.404 0.700 0.000) 0.808 4.423 ( -4.935 -8.548 0.000) 9.871 4.590 ( -7.090 -12.280 0.000) 14.180 4.689 ( -5.850 -10.133 0.000) 11.701 4.823 ( -7.658 -13.265 0.000) 15.317 4.885 ( -0.036 -0.062 0.000) 0.071 4.892 ( -3.269 -5.663 0.000) 6.539 5.125 ( 10.825 18.750 0.000) 21.651 5.662 ( -1.448 -2.508 0.000) 2.896 5.667 ( 7.114 12.322 0.000) 14.229 5.719 ( 4.424 7.663 0.000) 8.849 6.343 ( 2.607 4.515 0.000) 5.213 6.652 ( 0.727 1.260 0.000) 1.454 6.790 ( -6.234 -10.798 0.000) 12.468 6.946 ( -3.545 -6.140 0.000) 7.090 6.973 ( -3.291 -5.700 0.000) 6.582 7.227 ( -0.734 -1.271 0.000) 1.467 7.342 ( -0.981 -1.699 0.000) 1.962 7.488 ( -0.324 -0.562 0.000) 0.649 7.576 ( -1.751 -3.033 0.000) 3.503 7.987 ( -0.451 -0.782 0.000) 0.903 8.800 ( 1.044 1.808 0.000) 2.088 8.968 ( 8.510 14.740 0.000) 17.020 9.051 ( 1.309 2.267 0.000) 2.618 9.285 ( -3.999 -6.927 0.000) 7.998 9.374 ( -0.217 -0.377 0.000) 0.435 9.391 ( 2.005 3.473 0.000) 4.011 9.518 ( -4.349 -7.533 0.000) 8.698 9.521 ( 0.352 0.609 0.000) 0.704 9.666 ( 4.112 7.121 0.000) 8.223 9.670 ( 0.932 1.615 0.000) 1.864 9.704 ( -2.596 -4.497 0.000) 5.193 9.812 ( 0.576 0.997 0.000) 1.152 10.247 ( -2.212 -3.832 0.000) 4.425 10.665 ( -2.337 -4.049 0.000) 4.675 10.866 ( 1.186 2.054 0.000) 2.372 10.934 ( -5.847 -10.127 0.000) 11.694 11.083 ( 6.730 11.657 0.000) 13.460 11.145 ( 4.769 8.260 0.000) 9.538 11.456 ( -3.912 -6.775 0.000) 7.824 11.518 ( -3.492 -6.049 0.000) 6.985 11.819 ( -3.530 -6.115 0.000) 7.061 11.921 ( -0.925 -1.602 0.000) 1.849 12.151 ( -2.234 -3.870 0.000) 4.468 12.200 ( -0.677 -1.173 0.000) 1.354 12.446 ( -4.335 -7.509 0.000) 8.671 12.552 ( -1.616 -2.799 0.000) 3.232 12.908 ( 6.660 11.536 0.000) 13.321 12.989 ( 9.349 16.193 0.000) 18.698 13.213 ( 2.601 4.504 0.000) 5.201 13.262 ( -2.388 -4.136 0.000) 4.776 13.522 ( 0.861 1.491 0.000) 1.721 13.742 ( 1.340 2.320 0.000) 2.679 14.186 ( -6.016 -10.419 0.000) 12.031 14.239 ( -4.340 -7.518 0.000) 8.681 14.318 ( -8.092 -14.015 0.000) 16.183 14.411 ( -6.118 -10.598 0.000) 12.237 14.975 ( 5.515 9.552 0.000) 11.030 15.450 ( 4.163 7.210 0.000) 8.326 15.494 ( -2.651 -4.592 0.000) 5.302 15.756 ( 0.636 1.101 0.000) 1.271 15.781 ( -1.182 -2.048 0.000) 2.365 16.457 ( -6.189 -10.720 0.000) 12.379 17.484 ( -0.312 -0.540 0.000) 0.624 17.552 ( -0.283 -0.491 0.000) 0.566 17.695 ( 0.234 0.406 0.000) 0.468 18.043 ( 2.780 4.815 0.000) 5.560 18.050 ( 3.253 5.635 0.000) 6.507 18.157 ( 1.944 3.367 0.000) 3.888 18.380 ( 3.964 6.867 0.000) 7.929 18.408 ( 6.302 10.916 0.000) 12.604 18.415 ( 3.224 5.584 0.000) 6.448 19.028 ( -4.024 -6.969 0.000) 8.047 19.155 ( -2.773 -4.803 0.000) 5.546 19.956 ( -11.613 -20.114 0.000) 23.226 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 15.947 13.313 0.000) 20.774 2.486 ( 9.732 13.186 0.000) 16.389 2.790 ( 0.846 2.127 0.000) 2.289 2.874 ( -2.028 0.333 0.000) 2.055 2.884 ( 2.224 4.669 0.000) 5.172 3.024 ( 0.408 -3.119 0.000) 3.145 3.063 ( -7.931 -10.218 0.000) 12.935 3.096 ( -4.028 -10.485 0.000) 11.232 3.253 ( -0.521 -1.142 0.000) 1.255 3.308 ( -0.750 -1.407 0.000) 1.594 3.518 ( -4.604 -9.946 0.000) 10.959 3.700 ( -6.331 -8.720 0.000) 10.776 3.987 ( 5.517 4.261 0.000) 6.971 4.052 ( 7.553 13.662 0.000) 15.611 4.174 ( 4.369 3.726 0.000) 5.742 4.294 ( 0.128 -0.544 0.000) 0.559 4.312 ( 17.512 26.462 0.000) 31.732 4.361 ( -6.885 -7.135 0.000) 9.915 4.533 ( -4.259 -6.748 0.000) 7.980 4.578 ( -7.128 -9.283 0.000) 11.704 4.671 ( -14.430 -0.129 0.000) 14.431 4.924 ( 7.098 -10.123 0.000) 12.363 5.394 ( -22.940 1.351 0.000) 22.980 5.529 ( 14.651 16.345 0.000) 21.950 5.753 ( 10.503 -12.741 0.000) 16.512 6.132 ( 12.394 24.158 0.000) 27.152 6.289 ( -11.989 -3.359 0.000) 12.450 6.615 ( 1.369 -8.972 0.000) 9.076 6.710 ( -3.678 6.204 0.000) 7.212 6.852 ( -2.702 -2.495 0.000) 3.678 6.890 ( -0.175 -5.235 0.000) 5.238 7.137 ( -5.521 1.790 0.000) 5.804 7.324 ( -1.292 -5.666 0.000) 5.811 7.447 ( -3.442 2.034 0.000) 3.998 7.571 ( 6.159 -7.001 0.000) 9.325 7.971 ( 0.792 -2.568 0.000) 2.687 8.869 ( 2.713 4.736 0.000) 5.458 9.126 ( 3.066 4.373 0.000) 5.341 9.148 ( -4.441 -4.347 0.000) 6.214 9.212 ( 6.819 6.177 0.000) 9.201 9.331 ( -4.354 2.073 0.000) 4.822 9.391 ( -4.202 -2.783 0.000) 5.040 9.456 ( 1.898 -0.053 0.000) 1.899 9.517 ( 0.681 -3.550 0.000) 3.614 9.693 ( 0.818 2.865 0.000) 2.980 9.714 ( 1.250 6.292 0.000) 6.415 9.794 ( 4.012 4.527 0.000) 6.049 9.888 ( 3.949 4.083 0.000) 5.680 10.130 ( -6.168 -5.073 0.000) 7.986 10.579 ( -3.962 -4.897 0.000) 6.299 10.705 ( -7.218 -4.036 0.000) 8.270 10.919 ( 3.812 -2.211 0.000) 4.407 11.171 ( -1.207 -3.063 0.000) 3.292 11.247 ( -1.337 -1.796 0.000) 2.239 11.473 ( 4.672 6.094 0.000) 7.678 11.511 ( 5.438 7.101 0.000) 8.944 11.709 ( -2.173 -4.232 0.000) 4.757 11.906 ( 0.711 -1.349 0.000) 1.525 12.069 ( -2.461 -3.893 0.000) 4.606 12.085 ( -6.956 -8.267 0.000) 10.805 12.391 ( 0.417 1.116 0.000) 1.192 12.503 ( -1.677 -1.641 0.000) 2.347 13.041 ( -1.086 9.056 0.000) 9.121 13.162 ( -3.004 4.010 0.000) 5.010 13.287 ( 6.314 -0.181 0.000) 6.316 13.350 ( 11.578 1.828 0.000) 11.722 13.564 ( 3.378 1.930 0.000) 3.890 13.786 ( 1.651 2.150 0.000) 2.710 13.994 ( -6.719 -7.213 0.000) 9.857 14.034 ( -8.411 -13.823 0.000) 16.181 14.133 ( -2.238 -4.139 0.000) 4.705 14.218 ( -5.259 -8.120 0.000) 9.674 15.139 ( 4.656 6.308 0.000) 7.840 15.398 ( -3.946 -2.364 0.000) 4.600 15.548 ( -2.993 8.849 0.000) 9.342 15.744 ( -0.714 -1.640 0.000) 1.788 15.827 ( 9.004 -1.775 0.000) 9.177 16.242 ( -6.589 -11.442 0.000) 13.203 17.481 ( 0.234 -0.046 0.000) 0.238 17.535 ( -0.855 -0.704 0.000) 1.107 17.702 ( 1.028 -1.063 0.000) 1.479 18.086 ( -2.231 7.276 0.000) 7.610 18.163 ( 3.175 1.626 0.000) 3.567 18.224 ( 2.423 2.620 0.000) 3.569 18.458 ( -1.394 7.459 0.000) 7.589 18.558 ( 7.793 3.407 0.000) 8.505 18.654 ( 8.456 10.301 0.000) 13.327 18.892 ( -4.283 -6.760 0.000) 8.002 19.079 ( -0.235 -2.523 0.000) 2.534 19.564 ( -13.117 -17.936 0.000) 22.221 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.803 -3.123 0.000) 3.606 2.651 ( 0.660 -1.143 0.000) 1.319 2.684 ( -1.281 2.220 0.000) 2.563 2.801 ( -0.911 1.578 0.000) 1.822 2.884 ( -1.580 2.737 0.000) 3.160 2.921 ( 0.070 -0.122 0.000) 0.141 2.953 ( 3.286 -5.691 0.000) 6.572 3.203 ( 2.401 -4.160 0.000) 4.803 3.224 ( -0.061 0.105 0.000) 0.121 3.285 ( 0.310 -0.537 0.000) 0.620 3.439 ( 0.982 -1.702 0.000) 1.965 3.561 ( 2.481 -4.297 0.000) 4.961 4.103 ( 1.412 -2.446 0.000) 2.824 4.190 ( -0.533 0.923 0.000) 1.065 4.224 ( -3.655 6.330 0.000) 7.309 4.260 ( 1.155 -2.000 0.000) 2.309 4.321 ( 0.513 -0.889 0.000) 1.026 4.369 ( -0.994 1.722 0.000) 1.988 4.486 ( -2.751 4.765 0.000) 5.502 4.502 ( 1.510 -2.615 0.000) 3.020 4.906 ( -7.553 13.082 0.000) 15.106 4.919 ( 1.958 -3.391 0.000) 3.916 4.963 ( -2.669 4.623 0.000) 5.338 5.769 ( 7.798 -13.507 0.000) 15.597 5.880 ( -0.435 0.753 0.000) 0.869 6.016 ( -3.405 5.897 0.000) 6.810 6.501 ( -7.281 12.611 0.000) 14.562 6.558 ( -8.565 14.835 0.000) 17.130 6.596 ( 7.025 -12.167 0.000) 14.049 6.815 ( 0.110 -0.190 0.000) 0.219 6.874 ( 2.843 -4.924 0.000) 5.686 7.178 ( -3.979 6.891 0.000) 7.957 7.200 ( 3.029 -5.246 0.000) 6.058 7.433 ( -1.054 1.825 0.000) 2.107 7.598 ( 5.679 -9.837 0.000) 11.359 7.966 ( 1.927 -3.338 0.000) 3.855 8.933 ( -1.727 2.992 0.000) 3.455 9.073 ( 0.965 -1.672 0.000) 1.931 9.193 ( -0.324 0.561 0.000) 0.648 9.289 ( -3.037 5.260 0.000) 6.074 9.319 ( -0.931 1.613 0.000) 1.863 9.324 ( -0.020 0.034 0.000) 0.039 9.461 ( 0.988 -1.711 0.000) 1.976 9.505 ( 1.772 -3.068 0.000) 3.543 9.702 ( -3.519 6.096 0.000) 7.039 9.812 ( -1.333 2.308 0.000) 2.665 9.881 ( -1.967 3.406 0.000) 3.933 9.953 ( 0.493 -0.853 0.000) 0.985 9.994 ( 0.500 -0.867 0.000) 1.001 10.492 ( -0.010 0.017 0.000) 0.019 10.642 ( -0.278 0.482 0.000) 0.557 10.938 ( 3.114 -5.394 0.000) 6.229 11.147 ( 1.173 -2.032 0.000) 2.346 11.192 ( 0.976 -1.691 0.000) 1.952 11.555 ( -3.379 5.852 0.000) 6.758 11.596 ( 1.147 -1.987 0.000) 2.294 11.759 ( -0.608 1.054 0.000) 1.217 11.877 ( 1.643 -2.845 0.000) 3.286 11.941 ( 0.485 -0.840 0.000) 0.970 12.022 ( 1.511 -2.618 0.000) 3.023 12.412 ( -0.837 1.449 0.000) 1.673 12.475 ( 0.207 -0.358 0.000) 0.414 13.070 ( -3.778 6.544 0.000) 7.556 13.151 ( -1.376 2.383 0.000) 2.751 13.343 ( 1.195 -2.070 0.000) 2.390 13.461 ( 1.324 -2.293 0.000) 2.647 13.691 ( 2.180 -3.775 0.000) 4.359 13.793 ( 4.065 -7.040 0.000) 8.129 13.843 ( 0.146 -0.254 0.000) 0.293 13.885 ( 0.490 -0.849 0.000) 0.981 14.088 ( 1.689 -2.925 0.000) 3.377 14.131 ( 0.290 -0.501 0.000) 0.579 15.224 ( -1.240 2.148 0.000) 2.480 15.338 ( 0.175 -0.302 0.000) 0.349 15.556 ( -5.717 9.903 0.000) 11.435 15.729 ( 0.645 -1.117 0.000) 1.290 15.965 ( 2.950 -5.109 0.000) 5.899 16.066 ( 4.178 -7.237 0.000) 8.357 17.486 ( -0.074 0.128 0.000) 0.148 17.521 ( 0.216 -0.373 0.000) 0.431 17.706 ( 1.023 -1.773 0.000) 2.047 18.104 ( -3.838 6.647 0.000) 7.675 18.194 ( -0.542 0.938 0.000) 1.083 18.262 ( 0.180 -0.311 0.000) 0.359 18.483 ( -3.637 6.299 0.000) 7.274 18.688 ( 0.002 -0.003 0.000) 0.003 18.757 ( 1.461 -2.530 0.000) 2.922 18.807 ( -2.242 3.883 0.000) 4.484 19.177 ( 2.050 -3.552 0.000) 4.101 19.238 ( 3.983 -6.900 0.000) 7.967 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 7.011 12.144 0.000) 14.023 2.676 ( 2.970 5.145 0.000) 5.941 2.728 ( -4.733 -8.197 0.000) 9.465 2.843 ( -1.880 -3.257 0.000) 3.761 2.855 ( -4.187 -7.252 0.000) 8.374 2.911 ( 0.806 1.397 0.000) 1.613 2.933 ( 0.088 0.152 0.000) 0.175 3.149 ( 1.503 2.603 0.000) 3.006 3.227 ( -0.703 -1.217 0.000) 1.405 3.306 ( 0.980 1.697 0.000) 1.959 3.402 ( -0.423 -0.732 0.000) 0.846 3.524 ( -5.080 -8.798 0.000) 10.159 4.063 ( 1.646 2.851 0.000) 3.292 4.223 ( -1.123 -1.945 0.000) 2.246 4.231 ( -1.186 -2.055 0.000) 2.373 4.249 ( 0.404 0.699 0.000) 0.807 4.317 ( 7.111 12.317 0.000) 14.223 4.427 ( -2.820 -4.884 0.000) 5.639 4.460 ( -0.638 -1.106 0.000) 1.277 4.611 ( -4.879 -8.450 0.000) 9.758 4.753 ( -1.963 -3.399 0.000) 3.925 4.912 ( 16.643 28.827 0.000) 33.286 5.395 ( -6.276 -10.871 0.000) 12.552 5.428 ( -6.277 -10.872 0.000) 12.554 5.856 ( 9.113 15.784 0.000) 18.225 6.216 ( -3.280 -5.681 0.000) 6.560 6.363 ( -6.353 -11.003 0.000) 12.706 6.578 ( 11.881 20.579 0.000) 23.763 6.794 ( 0.106 0.184 0.000) 0.212 6.818 ( -1.384 -2.397 0.000) 2.768 6.884 ( 1.161 2.012 0.000) 2.323 7.061 ( -4.730 -8.192 0.000) 9.460 7.293 ( 1.376 2.383 0.000) 2.751 7.426 ( -3.048 -5.279 0.000) 6.096 7.483 ( 0.025 0.043 0.000) 0.050 7.927 ( -0.837 -1.450 0.000) 1.674 8.961 ( 2.542 4.402 0.000) 5.083 9.059 ( -2.459 -4.260 0.000) 4.919 9.196 ( 1.150 1.992 0.000) 2.300 9.310 ( 2.062 3.572 0.000) 4.125 9.349 ( -0.522 -0.903 0.000) 1.043 9.374 ( 1.096 1.899 0.000) 2.193 9.434 ( -0.876 -1.517 0.000) 1.751 9.458 ( -1.569 -2.718 0.000) 3.139 9.797 ( 3.655 6.331 0.000) 7.311 9.847 ( 3.007 5.208 0.000) 6.014 9.862 ( 2.189 3.791 0.000) 4.378 9.932 ( -0.151 -0.262 0.000) 0.302 10.009 ( -4.093 -7.089 0.000) 8.186 10.498 ( -1.462 -2.532 0.000) 2.924 10.653 ( -0.699 -1.211 0.000) 1.399 10.873 ( -1.425 -2.467 0.000) 2.849 11.123 ( 0.087 0.151 0.000) 0.175 11.178 ( -2.257 -3.910 0.000) 4.515 11.569 ( 0.086 0.149 0.000) 0.172 11.656 ( 3.854 6.676 0.000) 7.709 11.704 ( 3.166 5.483 0.000) 6.331 11.873 ( -3.480 -6.027 0.000) 6.959 11.943 ( -1.297 -2.246 0.000) 2.594 11.992 ( -2.088 -3.616 0.000) 4.176 12.428 ( 1.188 2.058 0.000) 2.377 12.471 ( -0.937 -1.622 0.000) 1.873 13.162 ( 0.677 1.172 0.000) 1.353 13.175 ( 1.575 2.728 0.000) 3.150 13.289 ( -1.238 -2.145 0.000) 2.477 13.463 ( 5.378 9.314 0.000) 10.755 13.591 ( 1.024 1.773 0.000) 2.047 13.751 ( -7.878 -13.646 0.000) 15.757 13.830 ( 1.446 2.505 0.000) 2.893 13.896 ( -2.328 -4.033 0.000) 4.657 14.048 ( -2.216 -3.838 0.000) 4.432 14.135 ( -0.597 -1.034 0.000) 1.194 15.244 ( 2.582 4.473 0.000) 5.165 15.334 ( -2.043 -3.539 0.000) 4.087 15.704 ( 0.697 1.208 0.000) 1.395 15.761 ( 3.603 6.240 0.000) 7.205 15.805 ( 1.435 2.485 0.000) 2.869 16.012 ( -7.032 -12.179 0.000) 14.064 17.489 ( 0.481 0.833 0.000) 0.961 17.516 ( -0.685 -1.187 0.000) 1.370 17.687 ( -0.237 -0.410 0.000) 0.473 18.194 ( 1.790 3.100 0.000) 3.580 18.196 ( 1.044 1.808 0.000) 2.088 18.246 ( -0.178 -0.308 0.000) 0.356 18.605 ( 3.031 5.250 0.000) 6.063 18.605 ( 2.281 3.950 0.000) 4.562 18.756 ( -4.225 -7.319 0.000) 8.451 18.875 ( 6.695 11.596 0.000) 13.390 19.050 ( 0.207 0.359 0.000) 0.414 19.229 ( -9.342 -16.181 0.000) 18.684 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 0.000 35.155) 35.155 0.781 ( 0.000 0.000 35.155) 35.155 1.372 ( 0.000 0.000 62.553) 62.553 2.051 ( 0.000 0.000 -20.369) 20.369 2.051 ( 0.000 0.000 -20.369) 20.369 2.567 ( -0.000 0.000 4.353) 4.353 2.827 ( 0.000 0.000 -5.163) 5.163 3.073 ( 0.000 -0.000 5.289) 5.289 3.453 ( 0.000 -0.000 7.893) 7.893 3.453 ( 0.000 0.000 7.893) 7.893 3.609 ( 0.000 -0.000 -8.047) 8.047 3.728 ( -0.000 0.000 -3.365) 3.365 3.728 ( 0.000 0.000 -3.365) 3.365 3.933 ( 0.000 -0.000 -44.392) 44.392 4.772 ( -0.000 0.000 -3.144) 3.144 4.772 ( -0.000 0.000 -3.144) 3.144 4.790 ( 0.000 0.000 -3.757) 3.757 4.790 ( -0.000 0.000 -3.757) 3.757 5.063 ( -0.000 -0.000 8.737) 8.737 5.063 ( 0.000 0.000 8.737) 8.737 5.124 ( 0.000 -0.000 8.412) 8.412 5.124 ( 0.000 0.000 8.412) 8.412 5.409 ( -0.000 -0.000 -3.811) 3.811 5.409 ( -0.000 0.000 -3.811) 3.811 5.468 ( 0.000 0.000 -4.003) 4.003 5.468 ( 0.000 -0.000 -4.003) 4.003 6.378 ( 0.000 -0.000 24.768) 24.768 6.926 ( -0.000 0.000 -3.574) 3.574 7.200 ( 0.000 0.000 -0.688) 0.688 7.201 ( -0.000 -0.000 -0.365) 0.365 7.366 ( 0.000 -0.000 5.578) 5.578 7.666 ( 0.000 0.000 -1.666) 1.666 7.666 ( 0.000 -0.000 -1.666) 1.666 7.671 ( 0.000 0.000 -1.888) 1.888 7.671 ( 0.000 0.000 -1.888) 1.888 7.814 ( -0.000 -0.000 -7.448) 7.448 7.962 ( 0.000 0.000 15.124) 15.124 8.856 ( -0.000 -0.000 -19.101) 19.101 8.995 ( 0.000 0.000 8.190) 8.190 9.385 ( 0.000 0.000 7.781) 7.781 9.385 ( -0.000 -0.000 7.781) 7.781 9.559 ( 0.000 -0.000 4.206) 4.206 9.559 ( -0.000 0.000 4.206) 4.206 9.656 ( -0.000 0.000 4.496) 4.496 9.656 ( -0.000 -0.000 4.496) 4.496 9.679 ( -0.000 0.000 -18.125) 18.125 9.995 ( 0.000 -0.000 -9.025) 9.025 9.995 ( 0.000 0.000 -9.025) 9.025 10.188 ( 0.000 -0.000 -5.084) 5.084 10.188 ( 0.000 0.000 -5.084) 5.084 10.392 ( 0.000 0.000 -9.903) 9.903 10.392 ( -0.000 0.000 -9.903) 9.903 11.215 ( -0.000 0.000 13.225) 13.225 11.215 ( 0.000 0.000 13.225) 13.225 11.728 ( 0.000 0.000 18.823) 18.823 11.805 ( 0.000 -0.000 -7.947) 7.947 11.805 ( -0.000 0.000 -7.947) 7.947 11.850 ( 0.000 0.000 23.734) 23.734 12.109 ( -0.000 0.000 4.243) 4.243 12.109 ( -0.000 0.000 4.243) 4.243 12.257 ( 0.000 -0.000 -3.477) 3.477 12.257 ( 0.000 0.000 -3.477) 3.477 12.596 ( 0.000 0.000 -14.174) 14.174 12.876 ( -0.000 -0.000 -15.425) 15.425 13.172 ( -0.000 0.000 9.236) 9.236 13.172 ( 0.000 0.000 9.236) 9.236 13.544 ( 0.000 -0.000 -5.321) 5.321 13.544 ( 0.000 0.000 -5.321) 5.321 14.126 ( -0.000 -0.000 -0.345) 0.345 14.192 ( -0.000 -0.000 -4.258) 4.258 14.959 ( 0.000 0.000 -0.455) 0.455 14.959 ( 0.000 0.000 -0.455) 0.455 14.964 ( 0.000 0.000 -0.618) 0.618 14.964 ( 0.000 -0.000 -0.618) 0.618 15.424 ( 0.000 0.000 9.750) 9.750 15.465 ( -0.000 0.000 4.256) 4.256 15.662 ( 0.000 -0.000 -3.084) 3.084 15.809 ( 0.000 0.000 -5.370) 5.370 17.562 ( 0.000 0.000 0.784) 0.784 17.562 ( -0.000 0.000 0.784) 0.784 17.587 ( 0.000 0.000 -0.089) 0.089 17.587 ( 0.000 -0.000 -0.089) 0.089 18.062 ( 0.000 0.000 0.337) 0.337 18.062 ( 0.000 0.000 0.337) 0.337 18.090 ( 0.000 -0.000 -0.652) 0.652 18.090 ( 0.000 0.000 -0.652) 0.652 19.300 ( -0.000 0.000 1.426) 1.426 19.365 ( -0.000 -0.000 -0.949) 0.949 20.928 ( 0.000 0.000 0.447) 0.447 20.959 ( 0.000 -0.000 -0.673) 0.673 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 10.866 6.274 25.842) 28.727 0.966 ( 15.106 8.721 28.122) 33.092 1.836 ( 31.833 18.379 48.218) 60.631 2.087 ( 3.269 1.887 -22.534) 22.848 2.118 ( 6.061 3.499 -19.444) 20.665 2.585 ( 1.604 0.926 4.188) 4.579 2.835 ( 0.625 0.361 -4.927) 4.980 3.093 ( 1.452 0.838 5.291) 5.550 3.475 ( 3.504 2.023 3.069) 5.078 3.492 ( 3.337 1.927 7.203) 8.169 3.537 ( -2.967 -1.713 -6.260) 7.136 3.755 ( 2.355 1.360 -3.258) 4.244 3.913 ( 13.694 7.906 -3.029) 16.100 4.134 ( 16.087 9.288 -34.169) 38.891 4.553 ( -16.895 -9.754 0.639) 19.519 4.570 ( -14.723 -8.500 0.627) 17.012 4.635 ( -11.957 -6.903 -2.815) 14.090 4.664 ( -9.019 -5.207 -3.118) 10.871 5.043 ( -2.034 -1.174 6.388) 6.806 5.094 ( 2.607 1.505 6.824) 7.458 5.152 ( -4.174 -2.410 5.537) 7.341 5.162 ( -3.768 -2.175 5.341) 6.888 5.338 ( -5.006 -2.890 -2.922) 6.477 5.381 ( -3.977 -2.296 -3.197) 5.595 5.431 ( -1.274 -0.735 -4.859) 5.076 5.474 ( 4.685 2.705 -5.422) 7.660 6.371 ( -0.663 -0.383 21.473) 21.486 6.779 ( -8.023 -4.632 2.282) 9.541 7.182 ( -1.865 -1.077 -0.706) 2.266 7.193 ( -1.124 -0.649 -0.782) 1.515 7.357 ( -0.948 -0.547 3.337) 3.512 7.407 ( -10.204 -5.891 5.640) 13.063 7.531 ( -7.112 -4.106 4.154) 9.203 7.542 ( -5.558 -3.209 3.181) 7.163 7.746 ( 1.621 0.936 -4.452) 4.830 7.768 ( 2.595 1.498 -1.926) 3.563 8.128 ( 11.956 6.903 6.906) 15.437 8.783 ( -5.467 -3.157 -17.976) 19.053 8.999 ( 1.319 0.762 5.391) 5.602 9.362 ( -4.340 -2.506 5.231) 7.244 9.367 ( -1.395 -0.805 8.500) 8.651 9.486 ( -4.089 -2.361 -5.477) 7.231 9.587 ( -4.320 -2.494 -3.757) 6.245 9.592 ( 2.213 1.278 2.686) 3.707 9.674 ( 0.591 0.341 3.431) 3.498 9.979 ( -2.200 -1.270 -3.349) 4.204 10.011 ( 1.528 0.882 -9.677) 9.836 10.255 ( 3.376 1.949 5.308) 6.586 10.267 ( 7.510 4.336 -4.549) 9.793 10.312 ( -6.226 -3.594 -1.930) 7.443 10.467 ( 8.536 4.928 -10.604) 14.477 10.649 ( 34.821 20.104 -44.142) 59.709 11.127 ( -6.128 -3.538 11.118) 13.179 11.211 ( 0.506 0.292 11.959) 11.974 11.746 ( -4.320 -2.494 -10.449) 11.579 11.750 ( -1.218 -0.703 0.475) 1.485 11.896 ( 7.985 4.610 6.565) 11.318 11.937 ( 4.794 2.768 7.426) 9.262 12.069 ( -3.757 -2.169 3.708) 5.707 12.152 ( 6.505 3.755 9.213) 11.887 12.191 ( -4.754 -2.745 -2.776) 6.152 12.262 ( 1.370 0.791 -2.575) 3.022 12.581 ( -1.169 -0.675 -12.653) 12.725 12.974 ( 2.137 1.234 -15.536) 15.731 13.133 ( -0.234 -0.135 1.308) 1.336 13.180 ( 0.766 0.442 9.260) 9.302 13.488 ( -4.170 -2.408 -5.476) 7.292 13.556 ( 0.978 0.565 -5.454) 5.570 14.265 ( 10.989 6.344 0.484) 12.698 14.514 ( 18.671 10.780 -16.591) 27.204 14.839 ( -9.503 -5.487 1.242) 11.043 14.888 ( -5.945 -3.432 -0.789) 6.909 14.889 ( -3.206 -1.851 -1.633) 4.047 14.914 ( -4.400 -2.540 -0.895) 5.159 15.541 ( 5.167 2.983 1.924) 6.269 15.591 ( 12.667 7.313 -3.726) 15.093 15.661 ( -0.384 -0.221 -2.223) 2.266 15.814 ( 0.299 0.173 -4.464) 4.477 17.555 ( 0.195 0.113 2.304) 2.315 17.581 ( 2.003 1.156 1.318) 2.662 17.631 ( 3.088 1.783 -0.403) 3.588 17.661 ( 6.049 3.492 -1.484) 7.141 18.062 ( 0.555 0.321 1.066) 1.244 18.070 ( 0.782 0.451 0.623) 1.097 18.115 ( 1.763 1.018 -0.929) 2.238 18.126 ( 3.051 1.762 -1.138) 3.703 19.239 ( -6.244 -3.605 4.290) 8.389 19.341 ( -2.195 -1.267 -1.403) 2.897 20.118 ( -46.488 -26.840 51.399) 74.320 20.825 ( -11.570 -6.680 -3.313) 13.765 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 25.270 14.590 2.787) 29.312 1.375 ( 20.787 12.002 19.174) 30.721 2.195 ( 6.582 3.800 -24.843) 25.980 2.310 ( 11.072 6.392 -16.978) 21.253 2.577 ( 33.365 19.263 34.674) 51.832 2.636 ( 2.898 1.673 3.616) 4.928 2.851 ( 0.794 0.458 -4.221) 4.319 3.122 ( 1.067 0.616 2.344) 2.648 3.486 ( -0.891 -0.514 -5.187) 5.288 3.612 ( 6.720 3.880 6.366) 10.036 3.632 ( 10.021 5.786 6.301) 13.176 3.827 ( 3.903 2.254 -2.554) 5.180 4.122 ( -20.661 -11.929 3.429) 24.102 4.199 ( -17.369 -10.028 3.482) 20.356 4.264 ( 12.085 6.978 -1.524) 14.038 4.317 ( -15.195 -8.773 -3.749) 17.942 4.457 ( -4.600 -2.656 -4.767) 7.137 4.564 ( 19.067 11.009 -21.245) 30.596 4.885 ( -11.915 -6.879 2.367) 13.960 4.938 ( -11.958 -6.904 2.212) 13.984 5.022 ( -4.644 -2.681 3.067) 6.178 5.099 ( -7.778 -4.490 -1.101) 9.048 5.231 ( 0.108 0.063 6.422) 6.424 5.239 ( -8.080 -4.665 -0.411) 9.339 5.433 ( -0.857 -0.495 -5.780) 5.864 5.630 ( 7.330 4.232 -8.334) 11.879 6.356 ( -0.269 -0.155 14.071) 14.075 6.659 ( -3.913 -2.259 -1.685) 4.823 7.107 ( -7.076 -4.085 0.233) 8.174 7.108 ( -4.700 -2.714 -0.645) 5.465 7.263 ( -4.674 -2.699 5.071) 7.406 7.337 ( -1.238 -0.715 2.566) 2.937 7.422 ( -3.149 -1.818 3.298) 4.909 7.453 ( -1.809 -1.044 3.838) 4.369 7.743 ( -1.568 -0.905 -3.836) 4.242 7.834 ( 3.213 1.855 -3.815) 5.321 8.423 ( 14.373 8.298 -1.469) 16.661 8.672 ( -3.576 -2.065 -13.229) 13.859 9.053 ( 3.289 1.899 -0.856) 3.893 9.208 ( -7.002 -4.043 -6.617) 10.448 9.342 ( -0.195 -0.113 5.854) 5.858 9.410 ( -4.250 -2.454 0.155) 4.910 9.534 ( -0.844 -0.487 3.416) 3.552 9.634 ( 1.600 0.924 -0.510) 1.916 9.665 ( -1.563 -0.903 5.029) 5.343 9.932 ( -1.446 -0.835 9.695) 9.838 10.044 ( 0.864 0.499 -11.162) 11.206 10.153 ( -6.795 -3.923 9.905) 12.636 10.252 ( -4.564 -2.635 18.814) 19.538 10.492 ( 11.922 6.883 -4.245) 14.406 10.692 ( 11.656 6.730 -6.160) 14.802 10.961 ( 1.952 1.127 -10.614) 10.850 11.010 ( -3.965 -2.289 10.145) 11.130 11.237 ( -1.030 -0.595 -0.300) 1.227 11.668 ( -1.874 -1.082 -18.550) 18.676 11.670 ( -5.788 -3.342 0.015) 6.683 11.937 ( -1.159 -0.669 -1.133) 1.753 11.955 ( -5.999 -3.464 1.984) 7.206 12.042 ( 1.110 0.641 -6.710) 6.832 12.068 ( -6.374 -3.680 -4.732) 8.750 12.346 ( 9.633 5.561 1.089) 11.176 12.482 ( 18.261 10.543 4.080) 21.477 12.554 ( -1.123 -0.648 -8.187) 8.289 12.883 ( -6.911 -3.990 3.890) 8.878 13.200 ( 3.483 2.011 -15.780) 16.284 13.206 ( 1.415 0.817 8.440) 8.597 13.396 ( -3.418 -1.973 -5.106) 6.453 13.586 ( 1.805 1.042 -5.507) 5.888 14.516 ( 8.286 4.784 0.494) 9.580 14.571 ( -8.568 -4.947 1.705) 10.039 14.602 ( -11.365 -6.561 3.087) 13.481 14.719 ( -8.914 -5.147 -1.423) 10.391 14.803 ( -3.219 -1.859 -0.002) 3.717 15.035 ( 11.383 6.572 -14.328) 19.444 15.634 ( -2.218 -1.281 -0.745) 2.667 15.639 ( 3.353 1.936 -2.014) 4.365 15.814 ( -0.403 -0.232 -2.535) 2.577 15.861 ( 9.774 5.643 -20.138) 23.085 17.578 ( 1.793 1.035 5.511) 5.887 17.645 ( 3.502 2.022 1.812) 4.431 17.708 ( 3.624 2.092 0.056) 4.185 17.834 ( 8.966 5.177 -4.085) 11.130 18.094 ( 1.227 0.708 1.130) 1.812 18.101 ( 2.884 1.665 1.770) 3.772 18.165 ( 3.295 1.902 -0.501) 3.837 18.220 ( 5.310 3.066 -1.136) 6.236 18.967 ( -17.449 -10.074 30.539) 36.587 19.265 ( -4.710 -2.719 -2.406) 5.947 19.442 ( -15.540 -8.972 32.023) 36.707 20.485 ( -18.330 -10.583 -7.986) 22.622 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 24.361 14.065 -4.373) 28.468 1.853 ( 22.145 12.785 13.310) 28.827 2.378 ( 9.719 5.611 -22.224) 24.897 2.593 ( 14.236 8.219 -14.040) 21.618 2.706 ( 3.186 1.840 2.381) 4.382 2.858 ( -0.280 -0.162 -3.210) 3.226 3.136 ( 0.068 0.039 -0.480) 0.487 3.179 ( 14.378 8.301 10.173) 19.471 3.564 ( 10.997 6.349 7.644) 14.821 3.673 ( -15.687 -9.057 5.342) 18.885 3.738 ( -12.836 -7.411 5.281) 15.734 3.785 ( 7.527 4.346 5.088) 10.071 3.859 ( -8.169 -4.716 2.600) 9.784 3.940 ( 7.974 4.604 6.243) 11.124 4.049 ( -3.363 -1.942 -3.989) 5.567 4.109 ( -12.217 -7.053 -4.920) 14.940 4.611 ( -11.343 -6.549 2.297) 13.297 4.612 ( -6.417 -3.705 1.179) 7.502 4.732 ( -6.146 -3.549 1.860) 7.337 4.824 ( -0.872 -0.503 -2.767) 2.945 4.903 ( 6.217 3.590 0.044) 7.179 4.981 ( -8.634 -4.985 1.188) 10.040 5.212 ( 16.604 9.587 -11.659) 22.440 5.279 ( 2.142 1.237 5.978) 6.470 5.354 ( -5.442 -3.142 -4.223) 7.571 5.765 ( 4.780 2.760 -11.673) 12.912 6.367 ( 0.824 0.476 6.357) 6.428 6.555 ( -6.512 -3.760 -2.964) 8.082 6.923 ( -8.102 -4.678 3.110) 9.859 6.997 ( -4.768 -2.753 -0.525) 5.530 7.172 ( -3.641 -2.102 6.003) 7.328 7.263 ( -4.925 -2.844 7.000) 9.020 7.374 ( -1.441 -0.832 1.566) 2.285 7.457 ( 0.191 0.110 -1.899) 1.912 7.707 ( -0.586 -0.339 -1.250) 1.422 7.900 ( 2.628 1.517 -5.846) 6.587 8.647 ( 1.326 0.766 -7.458) 7.613 8.753 ( 15.185 8.767 -7.909) 19.235 9.097 ( -2.904 -1.677 -5.088) 6.094 9.111 ( 1.352 0.780 -0.609) 1.675 9.307 ( -4.671 -2.697 1.557) 5.614 9.396 ( 5.332 3.078 -2.946) 6.825 9.497 ( -3.340 -1.929 2.051) 4.369 9.621 ( -1.686 -0.973 7.231) 7.489 9.677 ( 2.730 1.576 -4.470) 5.469 9.918 ( -0.462 -0.267 17.986) 17.994 10.024 ( -2.882 -1.664 -12.045) 12.496 10.028 ( -5.139 -2.967 20.395) 21.241 10.099 ( -7.081 -4.088 20.614) 22.177 10.699 ( 1.760 1.016 -10.003) 10.207 10.882 ( 4.275 2.468 -7.937) 9.347 10.948 ( -1.922 -1.110 15.714) 15.870 11.034 ( 8.268 4.773 2.389) 9.841 11.184 ( 0.300 0.173 2.917) 2.938 11.511 ( -8.130 -4.694 2.669) 9.759 11.638 ( -2.222 -1.283 -12.425) 12.687 11.824 ( -5.577 -3.220 -4.247) 7.714 11.904 ( -1.646 -0.950 -5.474) 5.795 11.926 ( -5.769 -3.331 -8.634) 10.905 12.016 ( -2.171 -1.254 -9.845) 10.159 12.539 ( -0.144 -0.083 -1.833) 1.841 12.577 ( 10.249 5.917 -2.933) 12.193 12.733 ( -6.190 -3.574 9.803) 12.132 12.892 ( 15.857 9.155 -2.689) 18.506 13.237 ( 2.500 1.443 1.310) 3.170 13.258 ( 1.961 1.132 -15.188) 15.356 13.376 ( 2.131 1.230 0.198) 2.469 13.637 ( 2.789 1.610 -5.122) 6.050 14.331 ( -12.345 -7.127 3.134) 14.595 14.366 ( -9.442 -5.451 4.046) 11.629 14.456 ( -10.164 -5.868 -2.506) 12.001 14.510 ( -9.775 -5.644 -1.775) 11.426 14.920 ( 10.095 5.828 3.338) 12.125 15.225 ( 5.649 3.261 -5.526) 8.549 15.566 ( -3.787 -2.186 0.101) 4.374 15.695 ( 2.142 1.237 -8.254) 8.616 15.798 ( -1.004 -0.580 -0.788) 1.402 15.997 ( 3.025 1.746 -21.363) 21.646 17.632 ( 3.038 1.754 9.992) 10.590 17.722 ( 3.204 1.850 2.331) 4.373 17.780 ( 2.652 1.531 1.773) 3.538 18.019 ( 7.187 4.150 -5.036) 9.708 18.105 ( -1.016 -0.587 5.224) 5.354 18.156 ( 1.780 1.028 0.020) 2.055 18.313 ( 10.260 5.924 0.564) 11.861 18.343 ( 4.973 2.871 2.357) 6.207 18.647 ( -8.632 -4.984 29.750) 31.375 19.143 ( -5.907 -3.410 -3.560) 7.694 19.208 ( -8.671 -5.006 11.839) 15.505 20.051 ( -20.309 -11.726 -10.539) 25.710 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 18.693 10.792 -4.631) 22.075 2.337 ( 21.257 12.273 8.323) 25.919 2.602 ( 9.953 5.746 -14.165) 18.241 2.760 ( 1.150 0.664 -0.438) 1.398 2.802 ( -3.410 -1.969 -3.414) 5.212 2.938 ( 14.568 8.411 -10.126) 19.635 3.121 ( -1.621 -0.936 -1.251) 2.251 3.241 ( -2.862 -1.653 -2.124) 3.929 3.330 ( -9.281 -5.358 3.388) 11.240 3.344 ( -18.674 -10.781 5.440) 22.238 3.628 ( -9.340 -5.393 -6.541) 12.614 3.674 ( -12.967 -7.486 -4.854) 15.740 4.022 ( 8.231 4.752 3.257) 10.047 4.112 ( 5.087 2.937 4.302) 7.281 4.161 ( 23.604 13.628 10.040) 29.045 4.171 ( 9.700 5.601 8.348) 13.970 4.415 ( -5.769 -3.331 3.318) 7.442 4.419 ( -8.427 -4.865 2.172) 9.970 4.547 ( -8.462 -4.886 2.308) 10.040 4.624 ( -7.891 -4.556 -1.870) 9.302 4.743 ( -10.954 -6.324 8.944) 15.491 5.080 ( -11.972 -6.912 -2.893) 14.124 5.227 ( 3.956 2.284 6.941) 8.309 5.507 ( 18.415 10.632 0.666) 21.274 5.632 ( 17.413 10.054 -10.257) 22.572 5.851 ( 3.937 2.273 -13.084) 13.851 6.321 ( -6.932 -4.002 -0.302) 8.011 6.335 ( -13.760 -7.944 -2.329) 16.058 6.833 ( 1.531 0.884 5.287) 5.575 6.917 ( -2.273 -1.312 1.162) 2.871 7.109 ( -1.957 -1.130 4.018) 4.610 7.135 ( -6.761 -3.904 5.575) 9.594 7.352 ( -0.622 -0.359 1.189) 1.389 7.420 ( -2.648 -1.529 2.977) 4.267 7.735 ( 2.213 1.278 -3.741) 4.530 7.947 ( 1.500 0.866 -7.048) 7.257 8.717 ( 4.249 2.453 -3.028) 5.766 9.063 ( 11.212 6.473 -11.065) 17.030 9.071 ( -0.184 -0.106 -1.667) 1.680 9.126 ( 1.013 0.585 -0.788) 1.411 9.227 ( -1.559 -0.900 4.033) 4.416 9.398 ( -5.018 -2.897 2.459) 6.294 9.539 ( 6.581 3.800 -8.915) 11.714 9.596 ( -0.840 -0.485 5.591) 5.675 9.765 ( 4.955 2.861 -9.348) 10.960 9.807 ( -8.482 -4.897 13.188) 16.427 9.932 ( -4.542 -2.622 -10.034) 11.322 9.963 ( 0.069 0.040 26.945) 26.945 10.031 ( -0.405 -0.234 25.476) 25.481 10.513 ( -12.963 -7.484 -13.618) 20.236 10.919 ( -0.752 -0.434 20.804) 20.822 11.019 ( 6.919 3.995 -3.479) 8.713 11.192 ( 3.794 2.190 2.858) 5.230 11.293 ( 6.624 3.825 -8.854) 11.701 11.342 ( -6.347 -3.664 3.899) 8.301 11.551 ( -4.777 -2.758 -5.089) 7.505 11.731 ( -2.105 -1.215 -4.125) 4.788 11.832 ( -3.059 -1.766 -11.290) 11.829 11.871 ( -1.227 -0.709 -7.558) 7.689 11.972 ( -1.549 -0.895 -10.468) 10.620 12.541 ( 0.034 0.020 5.070) 5.070 12.628 ( -2.936 -1.695 11.827) 12.303 12.776 ( 7.468 4.312 -4.959) 9.948 13.029 ( -1.269 -0.732 -3.887) 4.154 13.296 ( 1.617 0.934 -11.150) 11.305 13.432 ( 9.004 5.199 -3.082) 10.845 13.486 ( 11.014 6.359 -0.256) 12.720 13.713 ( 4.294 2.479 -3.997) 6.368 14.063 ( -11.362 -6.560 2.112) 13.288 14.190 ( -6.097 -3.520 3.630) 7.921 14.194 ( -12.822 -7.403 -3.165) 15.140 14.304 ( -8.239 -4.757 -1.120) 9.580 15.124 ( 7.662 4.424 3.740) 9.606 15.293 ( 1.031 0.595 1.871) 2.217 15.475 ( -4.134 -2.387 0.053) 4.774 15.745 ( 2.324 1.342 -16.304) 16.524 15.777 ( -0.765 -0.441 0.261) 0.921 16.021 ( -0.238 -0.138 -16.492) 16.495 17.708 ( 3.697 2.134 14.507) 15.122 17.778 ( 1.833 1.058 2.813) 3.520 17.821 ( 1.014 0.585 7.029) 7.125 18.033 ( -4.761 -2.749 11.696) 12.924 18.137 ( 2.932 1.693 -3.715) 5.026 18.199 ( 2.834 1.636 -0.229) 3.281 18.392 ( 0.285 0.165 8.886) 8.892 18.558 ( 9.708 5.605 -1.543) 11.315 18.641 ( 6.083 3.512 6.573) 9.620 19.018 ( -8.719 -5.034 6.385) 11.921 19.050 ( -0.448 -0.259 -5.420) 5.445 19.611 ( -19.104 -11.030 -10.304) 24.348 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.000 -0.000 -2.946) 2.946 2.681 ( 0.000 0.000 -3.590) 3.590 2.691 ( -0.000 -0.000 -6.514) 6.514 2.704 ( 0.000 0.000 -2.079) 2.079 2.858 ( -0.000 -0.000 3.888) 3.888 2.905 ( 0.000 0.000 6.804) 6.804 3.121 ( -0.000 -0.000 2.645) 2.645 3.153 ( 0.000 0.000 -3.837) 3.837 3.256 ( 0.000 0.000 -4.385) 4.385 3.303 ( 0.000 0.000 -5.038) 5.038 3.366 ( 0.000 0.000 -9.577) 9.577 3.514 ( 0.000 0.000 -7.948) 7.948 4.187 ( 0.000 0.000 7.603) 7.603 4.213 ( 0.000 0.000 3.410) 3.410 4.221 ( -0.000 -0.000 1.536) 1.536 4.311 ( -0.000 -0.000 -0.681) 0.681 4.351 ( 0.000 0.000 4.419) 4.419 4.444 ( 0.000 0.000 6.177) 6.177 4.520 ( -0.000 -0.000 -2.432) 2.432 4.575 ( 0.000 0.000 13.812) 13.812 4.648 ( -0.000 -0.000 2.068) 2.068 4.749 ( 0.000 0.000 6.045) 6.045 5.264 ( 0.000 0.000 8.428) 8.428 5.811 ( 0.000 0.000 -13.776) 13.776 5.949 ( -0.000 -0.000 -1.327) 1.327 5.966 ( 0.000 0.000 -1.467) 1.467 6.058 ( 0.000 0.000 -3.964) 3.964 6.085 ( -0.000 -0.000 -5.628) 5.628 6.893 ( 0.000 0.000 2.481) 2.481 6.938 ( 0.000 0.000 9.241) 9.241 6.986 ( 0.000 0.000 -1.025) 1.025 7.087 ( 0.000 0.000 2.331) 2.331 7.345 ( 0.000 0.000 1.237) 1.237 7.386 ( 0.000 0.000 7.464) 7.464 7.764 ( 0.000 0.000 -5.926) 5.926 7.964 ( 0.000 0.000 -7.383) 7.383 8.779 ( 0.000 0.000 -0.679) 0.679 9.061 ( 0.000 0.000 -1.206) 1.206 9.121 ( 0.000 0.000 -0.838) 0.838 9.218 ( 0.000 0.000 -12.390) 12.390 9.265 ( 0.000 0.000 7.624) 7.624 9.294 ( 0.000 0.000 1.982) 1.982 9.583 ( 0.000 0.000 5.577) 5.577 9.635 ( 0.000 0.000 -11.238) 11.238 9.696 ( 0.000 0.000 8.791) 8.791 9.815 ( 0.000 0.000 -13.879) 13.879 9.898 ( 0.000 0.000 -5.354) 5.354 9.968 ( 0.000 0.000 30.174) 30.174 10.032 ( 0.000 0.000 26.002) 26.002 10.320 ( -0.000 -0.000 -14.578) 14.578 10.911 ( 0.000 0.000 22.656) 22.656 11.159 ( 0.000 0.000 -9.631) 9.631 11.168 ( -0.000 -0.000 5.981) 5.981 11.266 ( 0.000 0.000 3.939) 3.939 11.388 ( 0.000 0.000 -0.204) 0.204 11.480 ( -0.000 -0.000 -20.555) 20.555 11.729 ( 0.000 0.000 -10.049) 10.049 11.784 ( 0.000 0.000 1.396) 1.396 11.856 ( 0.000 0.000 -8.285) 8.285 11.954 ( 0.000 0.000 -10.478) 10.478 12.538 ( 0.000 0.000 10.282) 10.282 12.601 ( -0.000 -0.000 9.182) 9.182 12.880 ( 0.000 0.000 -3.828) 3.828 12.986 ( 0.000 0.000 -6.297) 6.297 13.319 ( 0.000 0.000 -7.795) 7.795 13.512 ( 0.000 0.000 2.014) 2.014 13.734 ( 0.000 0.000 -8.418) 8.418 13.815 ( 0.000 0.000 -3.134) 3.134 13.876 ( -0.000 -0.000 0.772) 0.772 13.967 ( 0.000 0.000 -1.947) 1.947 14.118 ( 0.000 0.000 3.100) 3.100 14.199 ( 0.000 0.000 -0.360) 0.360 15.225 ( 0.000 0.000 4.509) 4.509 15.299 ( 0.000 0.000 4.361) 4.361 15.414 ( 0.000 0.000 -0.774) 0.774 15.768 ( 0.000 0.000 0.596) 0.596 15.776 ( 0.000 0.000 -20.601) 20.601 16.013 ( 0.000 0.000 -12.909) 12.909 17.767 ( 0.000 0.000 12.532) 12.532 17.799 ( 0.000 0.000 3.004) 3.004 17.825 ( 0.000 0.000 21.544) 21.544 17.962 ( 0.000 0.000 4.312) 4.312 18.161 ( 0.000 0.000 -2.352) 2.352 18.246 ( 0.000 0.000 -0.974) 0.974 18.396 ( 0.000 0.000 6.449) 6.449 18.659 ( 0.000 0.000 -1.943) 1.943 18.789 ( -0.000 -0.000 3.231) 3.231 18.849 ( 0.000 0.000 4.943) 4.943 19.164 ( -0.000 -0.000 -8.145) 8.145 19.279 ( 0.000 0.000 -8.537) 8.537 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 13.899 24.074 7.325) 28.748 1.243 ( 10.897 18.874 21.391) 30.538 2.165 ( 3.561 6.168 -24.519) 25.532 2.240 ( 5.239 9.074 -17.866) 20.712 2.381 ( 19.865 34.407 38.257) 55.154 2.620 ( 1.555 2.693 3.785) 4.899 2.847 ( 0.479 0.830 -4.464) 4.566 3.118 ( 0.854 1.479 3.241) 3.663 3.495 ( -0.938 -1.624 -5.894) 6.185 3.564 ( 3.074 5.324 6.996) 9.313 3.580 ( 5.192 8.993 4.394) 11.276 3.804 ( 2.023 3.503 -2.859) 4.953 4.167 ( 9.286 16.084 -1.922) 18.672 4.260 ( -10.556 -18.284 2.534) 21.264 4.287 ( -10.813 -18.729 2.774) 21.804 4.426 ( 4.545 7.871 -13.921) 16.625 4.446 ( -8.062 -13.964 -3.388) 16.476 4.486 ( 0.971 1.681 -14.836) 14.963 4.934 ( -7.029 -12.175 3.614) 14.516 5.061 ( -3.123 -5.409 4.691) 7.811 5.077 ( -3.719 -6.441 -0.574) 7.459 5.086 ( -3.247 -5.625 3.991) 7.623 5.217 ( -2.545 -4.408 3.596) 6.231 5.282 ( -4.636 -8.030 -0.889) 9.315 5.504 ( 2.508 4.344 -6.711) 8.379 5.536 ( 2.732 4.732 -6.494) 8.487 6.361 ( -0.221 -0.382 16.260) 16.266 6.686 ( -2.212 -3.832 -0.583) 4.463 7.131 ( -2.591 -4.488 -0.135) 5.184 7.171 ( -1.468 -2.543 -1.562) 3.326 7.270 ( -3.548 -6.145 4.353) 8.325 7.361 ( -0.677 -1.172 0.810) 1.578 7.366 ( -3.445 -5.967 6.765) 9.655 7.580 ( -0.292 -0.506 4.847) 4.883 7.643 ( -1.991 -3.448 -3.219) 5.120 7.869 ( 1.910 3.308 -5.861) 6.996 8.331 ( 7.751 13.425 1.172) 15.546 8.700 ( -2.433 -4.214 -14.773) 15.554 9.025 ( 0.985 1.707 0.581) 2.055 9.256 ( -2.850 -4.937 -2.866) 6.380 9.388 ( -0.050 -0.086 8.113) 8.114 9.404 ( -2.363 -4.092 -2.590) 5.388 9.570 ( -0.077 -0.134 2.801) 2.805 9.573 ( -1.327 -2.299 -1.588) 3.093 9.696 ( 0.756 1.310 4.420) 4.672 9.943 ( -0.941 -1.630 5.026) 5.367 10.031 ( 0.212 0.367 -6.145) 6.160 10.204 ( -3.068 -5.314 2.714) 6.709 10.245 ( -2.664 -4.614 16.892) 17.712 10.449 ( 6.835 11.839 -3.761) 14.178 10.603 ( 5.763 9.982 -6.175) 13.076 10.890 ( 0.777 1.346 -11.119) 11.227 11.154 ( 1.816 3.145 -12.362) 12.884 11.179 ( -0.871 -1.508 15.316) 15.415 11.662 ( -2.359 -4.085 -15.165) 15.882 11.727 ( -1.723 -2.985 -1.006) 3.591 11.917 ( -1.688 -2.924 0.527) 3.417 11.992 ( -1.859 -3.220 -1.731) 4.102 12.071 ( 1.831 3.171 -4.078) 5.481 12.086 ( -3.143 -5.444 -1.745) 6.524 12.326 ( 5.569 9.646 0.235) 11.140 12.340 ( 7.674 13.292 7.966) 17.292 12.563 ( -0.564 -0.977 -9.478) 9.545 12.923 ( -3.518 -6.093 1.108) 7.122 13.176 ( 2.005 3.473 -14.265) 14.818 13.201 ( 1.012 1.753 9.222) 9.442 13.408 ( -2.717 -4.706 -5.447) 7.694 13.583 ( 1.070 1.854 -5.899) 6.275 14.456 ( 6.464 11.195 0.999) 12.966 14.617 ( -3.099 -5.368 -0.782) 6.247 14.670 ( -6.335 -10.973 2.755) 12.967 14.771 ( -4.874 -8.442 -1.281) 9.832 14.816 ( -3.136 -5.432 -0.736) 6.315 14.977 ( 6.756 11.702 -15.142) 20.294 15.610 ( 1.287 2.229 0.060) 2.575 15.652 ( -0.033 -0.057 -1.373) 1.375 15.792 ( 5.870 10.167 -16.114) 19.938 15.818 ( 0.598 1.037 -4.676) 4.827 17.579 ( 1.031 1.785 3.385) 3.963 17.596 ( 0.985 1.707 3.584) 4.090 17.731 ( 3.558 6.162 -2.118) 7.424 17.755 ( 4.222 7.312 -2.269) 8.743 18.067 ( 0.509 0.882 1.960) 2.209 18.111 ( 2.014 3.489 1.107) 4.178 18.157 ( 1.474 2.552 -1.202) 3.183 18.176 ( 2.329 4.033 -1.243) 4.820 19.064 ( -9.153 -15.853 22.199) 28.773 19.289 ( -2.500 -4.330 -1.844) 5.329 19.557 ( -12.634 -21.883 42.413) 49.370 20.590 ( -9.844 -17.050 -6.826) 20.838 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 18.336 22.396 -1.219) 28.970 1.652 ( 17.704 16.614 14.205) 28.129 2.318 ( 6.108 8.869 -23.738) 26.067 2.459 ( 10.513 8.880 -15.213) 20.513 2.685 ( 2.565 3.422 2.663) 5.038 2.861 ( 0.229 0.575 -3.561) 3.614 3.025 ( 19.011 22.845 21.366) 36.604 3.144 ( 0.710 1.989 0.435) 2.156 3.502 ( 3.547 4.292 0.267) 5.574 3.688 ( 5.767 3.705 5.661) 8.890 3.779 ( 3.390 5.069 9.282) 11.106 3.829 ( -10.225 -11.622 2.036) 15.613 3.883 ( -5.155 -5.752 2.804) 8.217 3.941 ( -6.866 -10.020 3.362) 12.603 4.123 ( -10.320 -9.869 -4.574) 14.994 4.176 ( -7.601 -12.830 -4.382) 15.543 4.591 ( 6.397 6.474 -0.097) 9.102 4.711 ( -2.395 -1.961 0.416) 3.123 4.792 ( 0.466 4.360 -5.627) 7.134 4.830 ( -8.656 -4.821 1.361) 10.001 4.937 ( -5.505 -7.071 -2.255) 9.241 4.995 ( 1.739 -2.170 -5.694) 6.337 5.129 ( -2.588 -3.602 3.524) 5.665 5.238 ( 4.925 3.135 3.788) 6.960 5.488 ( -8.052 4.479 -7.273) 11.738 5.665 ( 7.993 -0.909 -9.552) 12.488 6.370 ( 0.666 1.928 9.462) 9.679 6.623 ( -3.491 -1.138 -2.645) 4.525 7.007 ( -5.864 -6.377 2.354) 8.978 7.063 ( -7.081 -2.281 -0.017) 7.439 7.177 ( -1.031 -6.414 5.534) 8.534 7.266 ( -3.681 -3.407 4.620) 6.819 7.372 ( 3.733 -3.281 -1.284) 5.133 7.498 ( -7.107 2.333 1.483) 7.625 7.644 ( 4.171 -5.988 -0.707) 7.332 7.904 ( -0.145 2.283 -6.094) 6.509 8.607 ( 9.112 8.685 -5.875) 13.892 8.670 ( 2.339 4.535 -7.845) 9.358 9.046 ( 1.360 -1.471 -0.836) 2.171 9.205 ( -3.263 2.597 -8.434) 9.409 9.335 ( -1.855 -1.100 2.411) 3.235 9.389 ( 0.190 1.098 3.200) 3.388 9.525 ( -1.847 -0.280 -0.084) 1.870 9.589 ( 2.404 -2.220 0.829) 3.375 9.696 ( -1.793 1.165 2.352) 3.179 9.920 ( -0.447 -0.970 13.943) 13.984 10.006 ( -2.098 -2.792 8.888) 9.550 10.093 ( -4.788 -8.964 14.862) 18.005 10.128 ( -2.117 -2.967 3.734) 5.218 10.685 ( 4.923 11.020 -6.428) 13.674 10.794 ( 7.132 0.921 -10.245) 12.517 10.907 ( 3.533 1.667 8.661) 9.501 11.089 ( -5.546 3.090 4.963) 8.058 11.177 ( -0.072 -3.793 5.884) 7.001 11.594 ( -5.229 -3.454 -4.726) 7.849 11.637 ( -2.005 -3.954 -8.495) 9.582 11.860 ( -2.229 -3.725 -5.830) 7.269 11.892 ( -2.541 -5.451 -4.520) 7.524 11.974 ( -3.975 -4.829 -4.927) 7.962 12.055 ( -3.058 -1.209 -10.515) 11.017 12.539 ( 2.536 8.531 -1.945) 9.110 12.559 ( 1.733 6.251 -2.229) 6.859 12.680 ( 15.504 8.031 -0.130) 17.461 12.807 ( -2.342 -1.363 6.420) 6.968 13.208 ( -0.037 -1.188 -10.009) 10.079 13.250 ( 2.184 2.865 3.196) 4.815 13.351 ( 0.481 -1.359 -5.611) 5.794 13.623 ( 1.397 2.328 -5.975) 6.563 14.428 ( -8.622 -9.704 2.847) 13.289 14.449 ( -8.244 -8.636 3.798) 12.529 14.514 ( -5.075 -7.175 -1.746) 8.961 14.584 ( -7.320 -8.701 -1.539) 11.474 14.837 ( 7.111 7.230 3.049) 10.589 15.196 ( 5.690 9.286 -10.696) 15.265 15.584 ( -1.879 -3.417 0.360) 3.916 15.680 ( 0.897 1.308 -3.968) 4.273 15.801 ( -0.618 -1.127 -1.453) 1.940 15.960 ( 3.864 3.728 -22.587) 23.216 17.615 ( 1.186 2.607 7.217) 7.764 17.651 ( 3.751 0.163 4.615) 5.949 17.829 ( 0.128 8.489 -1.788) 8.677 17.929 ( 8.144 4.389 -4.628) 10.344 18.094 ( 1.251 0.672 4.064) 4.305 18.181 ( -0.682 4.023 0.764) 4.151 18.230 ( 6.188 5.447 0.743) 8.277 18.283 ( 5.433 3.865 -0.443) 6.682 18.729 ( -10.121 -12.443 35.443) 38.903 19.178 ( -4.480 -6.264 -1.543) 7.854 19.295 ( -7.149 -6.456 14.178) 17.141 20.210 ( -15.147 -17.457 -9.947) 25.162 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 19.024 13.790 5.396) 24.108 2.131 ( 18.391 16.486 1.420) 24.739 2.525 ( 7.681 9.298 -18.614) 22.179 2.719 ( 8.362 3.806 -5.459) 10.687 2.780 ( 6.510 6.379 -5.665) 10.732 2.856 ( -0.725 0.207 -3.020) 3.113 3.140 ( -0.896 0.157 -1.766) 1.987 3.256 ( -0.716 -0.538 -2.778) 2.919 3.432 ( -13.109 -13.002 5.240) 19.193 3.490 ( -13.950 -16.093 6.047) 22.140 3.681 ( -6.257 -10.267 -2.651) 12.313 3.758 ( -4.342 -3.274 -0.628) 5.474 3.938 ( 13.255 14.060 8.479) 21.101 3.976 ( 8.413 3.837 3.595) 9.921 4.075 ( 3.510 3.472 -0.687) 4.985 4.096 ( 7.414 9.113 10.750) 15.924 4.456 ( -5.394 -7.178 3.086) 9.495 4.530 ( -10.540 -5.815 1.482) 12.129 4.642 ( -8.064 -7.087 -0.307) 10.740 4.709 ( -9.658 -7.504 -1.749) 12.356 4.866 ( -10.295 -4.577 8.683) 14.224 5.101 ( 10.848 8.541 3.120) 14.155 5.241 ( 5.582 -0.179 0.041) 5.585 5.352 ( -4.734 3.604 -2.639) 6.508 5.541 ( 14.101 20.504 -10.421) 26.979 5.767 ( 6.597 -2.337 -11.876) 13.785 6.380 ( -4.464 -0.200 3.686) 5.793 6.524 ( -8.374 2.025 -2.633) 9.009 6.853 ( -4.766 -3.697 4.882) 7.760 6.952 ( -3.179 -1.964 0.615) 3.787 7.085 ( -2.792 -5.908 5.679) 8.658 7.181 ( -1.537 -4.956 5.753) 7.747 7.356 ( -3.130 -3.005 -2.978) 5.262 7.445 ( -0.571 -0.129 0.446) 0.736 7.659 ( 4.222 -4.181 -0.704) 5.984 7.922 ( 1.203 -0.081 -6.657) 6.765 8.703 ( 2.692 5.346 -3.893) 7.140 8.937 ( 11.595 9.776 -8.719) 17.494 9.064 ( 1.521 0.799 -1.079) 2.029 9.166 ( -2.934 1.843 -1.405) 3.739 9.281 ( -4.182 1.199 1.769) 4.697 9.444 ( -0.395 -1.157 1.303) 1.786 9.502 ( 1.021 4.975 -5.107) 7.203 9.599 ( 0.165 -0.432 3.758) 3.786 9.713 ( 3.581 1.586 -4.061) 5.642 9.846 ( -4.701 -8.327 12.332) 15.605 9.949 ( -0.017 -0.676 18.726) 18.738 9.982 ( -2.406 -2.885 11.586) 12.179 10.068 ( -3.291 -0.272 6.884) 7.635 10.618 ( -9.111 -9.314 -13.729) 18.927 10.926 ( -1.237 -1.104 17.537) 17.615 10.961 ( 6.124 6.050 -4.743) 9.829 11.141 ( 4.134 3.817 5.162) 7.635 11.214 ( 5.752 2.582 -2.952) 6.962 11.430 ( -7.728 -3.626 3.309) 9.155 11.578 ( -2.018 -4.067 -3.605) 5.797 11.749 ( -3.595 -4.942 -5.347) 8.121 11.837 ( -0.970 -3.411 -14.166) 14.603 11.884 ( -1.997 -2.609 -6.209) 7.025 11.990 ( -2.419 -1.948 -10.993) 11.423 12.558 ( -0.515 2.131 3.311) 3.971 12.648 ( -1.251 -1.970 10.043) 10.311 12.776 ( 1.609 11.345 -2.747) 11.783 13.021 ( 5.644 4.079 -4.735) 8.421 13.221 ( 6.857 -1.339 -8.805) 11.240 13.330 ( 4.979 4.483 -3.691) 7.649 13.404 ( 5.208 2.058 -0.091) 5.601 13.678 ( 2.679 2.381 -5.238) 6.347 14.173 ( -10.510 -9.068 2.404) 14.088 14.250 ( -7.172 -6.860 3.175) 10.420 14.290 ( -8.935 -10.564 -1.678) 13.938 14.375 ( -7.713 -8.255 -1.317) 11.374 15.046 ( 7.885 6.953 3.572) 11.103 15.322 ( 0.236 6.538 -3.002) 7.198 15.510 ( -2.833 -3.313 0.285) 4.369 15.707 ( 2.315 -0.287 -10.370) 10.629 15.777 ( -0.572 -1.496 -0.368) 1.644 16.005 ( 0.858 -1.267 -19.139) 19.200 17.667 ( 2.466 1.477 11.282) 11.642 17.712 ( 3.794 -0.284 6.628) 7.642 17.895 ( -1.733 7.795 0.251) 7.989 18.056 ( 0.209 -1.472 5.064) 5.277 18.101 ( 2.407 1.109 2.854) 3.895 18.194 ( 0.099 2.226 1.219) 2.539 18.392 ( 2.273 3.086 5.112) 6.389 18.447 ( 10.375 7.714 -0.620) 12.943 18.589 ( 2.016 -0.259 14.094) 14.240 19.041 ( -3.961 -6.406 -0.734) 7.568 19.127 ( -7.250 -4.028 4.240) 9.315 19.782 ( -16.617 -15.940 -10.586) 25.343 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 13.265 9.805 -2.160) 16.636 2.552 ( 17.342 9.577 4.833) 20.392 2.718 ( 5.034 5.134 -8.786) 11.353 2.754 ( -4.122 -1.301 -2.464) 4.976 2.781 ( -2.538 0.870 -2.703) 3.808 3.031 ( -10.446 -10.526 4.448) 15.483 3.062 ( 7.167 0.663 -4.462) 8.469 3.150 ( -2.395 -4.585 -0.454) 5.193 3.191 ( 2.545 -1.614 -1.502) 3.367 3.267 ( -2.251 -1.945 -2.867) 4.131 3.448 ( -8.435 -11.411 -7.138) 15.884 3.541 ( -6.782 -5.998 -8.476) 12.402 4.110 ( 8.684 3.986 2.986) 10.011 4.187 ( 3.848 4.478 2.540) 6.428 4.278 ( 1.777 2.400 6.034) 6.732 4.311 ( -5.144 -2.266 3.741) 6.752 4.366 ( -1.938 -1.697 4.461) 5.151 4.458 ( -5.235 -4.189 2.180) 7.050 4.493 ( 13.396 14.718 3.942) 20.288 4.553 ( 2.662 1.812 0.642) 3.283 4.656 ( -9.402 -1.891 12.712) 15.924 4.984 ( -20.901 -3.073 -0.720) 21.138 5.204 ( 4.037 -5.011 8.767) 10.875 5.675 ( 15.701 5.954 -4.164) 17.301 5.819 ( 7.496 3.527 -7.912) 11.455 5.999 ( 11.971 18.769 -7.908) 23.624 6.148 ( -15.652 -7.042 1.786) 17.256 6.352 ( -18.341 3.467 -5.365) 19.422 6.841 ( 5.287 -1.418 6.315) 8.357 6.911 ( -1.485 -1.778 4.716) 5.255 7.017 ( 1.277 -1.936 1.072) 2.555 7.098 ( -4.170 -3.388 3.715) 6.533 7.275 ( 0.041 -5.425 -0.395) 5.440 7.434 ( -1.331 1.352 3.370) 3.867 7.696 ( 4.647 -5.048 -4.089) 7.987 7.938 ( 1.623 -1.776 -7.220) 7.610 8.803 ( 1.154 5.974 -0.617) 6.115 9.053 ( -0.539 -0.757 -0.570) 1.090 9.154 ( 3.096 3.623 -4.858) 6.806 9.190 ( -0.021 3.197 -4.248) 5.317 9.264 ( 1.452 4.879 3.812) 6.360 9.362 ( -5.577 -0.768 3.595) 6.680 9.577 ( 0.041 -0.508 3.094) 3.135 9.629 ( 3.164 4.288 -7.256) 9.002 9.706 ( -2.279 -3.515 7.517) 8.606 9.813 ( 1.936 1.187 -9.256) 9.531 9.896 ( -1.871 -1.051 -4.414) 4.908 9.969 ( 0.835 0.984 26.971) 27.002 10.041 ( -0.727 0.753 20.924) 20.950 10.359 ( -8.259 -7.681 -14.965) 18.739 10.903 ( 0.016 -1.103 21.868) 21.896 11.092 ( 5.542 2.417 0.702) 6.087 11.189 ( -1.009 -2.373 -1.728) 3.104 11.261 ( -0.616 -3.010 -0.902) 3.202 11.374 ( 2.060 2.788 -3.699) 5.069 11.500 ( -2.996 -1.975 -11.523) 12.069 11.698 ( 1.689 -2.595 -6.055) 6.801 11.788 ( -1.224 -2.155 -6.088) 6.573 11.849 ( -0.189 -1.524 -7.735) 7.886 11.948 ( -0.339 -1.793 -10.317) 10.477 12.559 ( -1.438 1.829 9.926) 10.195 12.621 ( -1.121 1.353 10.941) 11.081 12.899 ( 1.028 7.430 -4.495) 8.744 13.024 ( -2.936 0.693 -5.452) 6.231 13.300 ( 2.217 -0.038 -7.922) 8.227 13.467 ( 4.913 -0.579 0.482) 4.971 13.610 ( 13.522 4.469 -4.863) 15.048 13.765 ( 5.083 2.654 -3.758) 6.856 13.934 ( -8.282 -6.819 0.417) 10.737 14.010 ( -8.837 -10.542 -1.672) 13.857 14.137 ( -3.038 -2.177 2.126) 4.300 14.203 ( -3.557 -5.288 -0.388) 6.385 15.204 ( 4.283 3.821 3.965) 6.976 15.341 ( -2.758 3.310 2.544) 5.003 15.439 ( -2.853 -0.281 -0.616) 2.933 15.748 ( 2.524 -0.943 -15.139) 15.377 15.760 ( 0.239 -1.335 -2.586) 2.920 15.990 ( 0.726 -3.206 -13.449) 13.845 17.709 ( 2.075 -1.378 9.996) 10.301 17.781 ( 4.212 0.734 15.981) 16.543 17.899 ( -5.048 3.223 10.313) 11.926 17.982 ( -2.241 -0.402 4.252) 4.824 18.162 ( 0.999 1.135 -1.882) 2.414 18.236 ( 1.709 1.504 -1.056) 2.510 18.422 ( -1.208 3.311 5.495) 6.528 18.639 ( 4.381 2.974 -1.572) 5.523 18.722 ( 7.653 4.672 3.288) 9.550 18.907 ( -6.635 -5.914 4.577) 9.997 19.073 ( 6.496 1.941 -6.429) 9.343 19.378 ( -14.402 -12.892 -9.175) 21.396 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 10.492 18.172 12.286) 24.316 2.057 ( 12.868 22.287 -3.702) 26.000 2.515 ( 6.338 10.978 -19.793) 23.504 2.641 ( 5.652 9.790 -11.085) 15.833 2.766 ( 3.023 5.236 -0.863) 6.108 2.867 ( -0.017 -0.029 -2.764) 2.765 3.148 ( 0.051 0.089 -1.980) 1.983 3.260 ( 0.073 0.126 -2.517) 2.522 3.491 ( -11.670 -20.213 4.634) 23.795 3.515 ( -9.496 -16.447 6.946) 20.222 3.675 ( -4.984 -8.633 -0.498) 9.981 3.775 ( 2.429 4.207 4.462) 6.596 3.899 ( 7.065 12.237 6.316) 15.477 3.920 ( 1.360 2.356 1.698) 3.207 4.061 ( 1.362 2.360 -3.241) 4.234 4.083 ( 5.662 9.806 11.099) 15.856 4.465 ( -4.695 -8.132 3.445) 10.002 4.628 ( -6.948 -12.035 3.066) 14.231 4.637 ( -5.067 -8.777 -3.710) 10.793 4.771 ( -6.848 -11.862 -2.977) 14.017 4.991 ( 2.463 4.266 7.301) 8.808 5.022 ( -3.460 -5.993 9.788) 11.987 5.109 ( 9.887 17.125 -0.834) 19.791 5.521 ( 12.734 22.056 -10.839) 27.678 5.542 ( -1.656 -2.868 -10.148) 10.675 5.619 ( 0.421 0.729 -7.776) 7.821 6.423 ( 1.413 2.447 5.811) 6.461 6.618 ( 0.318 0.551 -2.361) 2.445 6.852 ( -5.349 -9.265 5.242) 11.914 7.012 ( -2.525 -4.373 1.929) 5.406 7.041 ( -3.166 -5.484 6.766) 9.267 7.233 ( -1.958 -3.391 1.439) 4.172 7.289 ( -1.586 -2.748 -3.997) 5.103 7.499 ( -2.125 -3.681 -6.599) 7.849 7.565 ( -0.338 -0.585 6.253) 6.289 7.913 ( -0.418 -0.724 -6.513) 6.566 8.709 ( 3.242 5.616 -3.795) 7.513 8.887 ( 7.823 13.550 -6.832) 17.073 9.052 ( 1.181 2.045 0.040) 2.362 9.208 ( -1.149 -1.990 -2.673) 3.525 9.353 ( 0.555 0.961 -0.697) 1.310 9.404 ( 0.829 1.435 3.082) 3.499 9.561 ( 1.920 3.326 -5.210) 6.472 9.571 ( 0.409 0.709 -0.544) 0.982 9.693 ( -0.588 -1.019 1.907) 2.240 9.839 ( -4.364 -7.558 16.238) 18.435 9.950 ( -0.691 -1.198 17.081) 17.137 9.977 ( -1.036 -1.794 16.548) 16.678 10.095 ( -1.189 -2.059 -3.078) 3.890 10.646 ( -6.168 -10.682 -13.599) 18.360 10.933 ( 5.833 10.104 -6.353) 13.284 10.934 ( -0.820 -1.421 13.792) 13.889 11.146 ( 0.231 0.400 12.749) 12.758 11.164 ( 3.142 5.443 -3.385) 7.138 11.496 ( -4.531 -7.847 3.133) 9.588 11.558 ( -1.132 -1.961 -3.248) 3.959 11.756 ( -4.298 -7.444 -5.342) 10.120 11.823 ( -0.957 -1.658 -16.485) 16.596 11.886 ( -2.269 -3.930 -4.959) 6.722 12.005 ( -2.036 -3.527 -11.960) 12.634 12.579 ( 1.316 2.279 3.690) 4.533 12.648 ( -1.108 -1.919 9.639) 9.891 12.895 ( 4.808 8.327 -1.388) 9.715 12.908 ( 8.363 14.486 -6.805) 18.058 13.156 ( -1.679 -2.908 -8.257) 8.913 13.318 ( 2.425 4.200 8.030) 9.381 13.363 ( 1.334 2.310 -10.395) 10.732 13.668 ( 1.408 2.439 -6.168) 6.781 14.220 ( -6.762 -11.712 2.135) 13.691 14.285 ( -4.733 -8.197 3.462) 10.079 14.304 ( -7.674 -13.292 -1.292) 15.403 14.399 ( -5.917 -10.249 -1.151) 11.891 15.011 ( 5.491 9.511 3.538) 11.538 15.366 ( 4.587 7.946 -8.535) 12.531 15.509 ( -2.399 -4.156 1.579) 5.052 15.684 ( -0.285 -0.493 -5.500) 5.530 15.773 ( -0.964 -1.669 -0.546) 2.003 15.988 ( -0.389 -0.674 -20.617) 20.632 17.662 ( 0.826 1.430 8.848) 9.001 17.670 ( 1.405 2.434 8.601) 9.049 17.989 ( 3.487 6.040 -4.122) 8.101 18.003 ( 2.826 4.895 -3.985) 6.916 18.091 ( -1.578 -2.733 14.092) 14.441 18.211 ( 0.350 0.607 3.467) 3.538 18.375 ( 4.293 7.436 -0.182) 8.588 18.399 ( 5.627 9.747 -0.758) 11.280 18.571 ( -1.733 -3.002 19.714) 20.017 19.044 ( -4.169 -7.221 -0.750) 8.371 19.171 ( -3.974 -6.883 5.211) 9.504 19.845 ( -11.609 -20.107 -10.558) 25.505 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 14.127 12.555 8.917) 20.897 2.438 ( 11.119 14.549 -2.225) 18.446 2.705 ( 4.414 8.598 -13.641) 16.718 2.773 ( 1.704 1.912 -1.926) 3.204 2.840 ( -1.928 0.337 -2.841) 3.450 2.928 ( 7.908 6.251 -8.476) 13.170 3.106 ( -8.440 -10.098 3.344) 13.579 3.139 ( -5.675 -11.721 3.686) 13.534 3.169 ( -2.550 -5.123 -2.683) 6.320 3.284 ( -3.590 -5.020 -0.345) 6.182 3.450 ( -6.463 -11.969 -6.025) 14.877 3.584 ( -7.327 -10.342 -8.258) 15.127 4.027 ( 5.520 4.510 3.169) 7.801 4.150 ( 4.263 4.180 -1.661) 6.197 4.279 ( 4.309 7.815 11.030) 14.188 4.350 ( -0.481 -0.037 6.276) 6.295 4.403 ( -6.913 -6.940 3.432) 10.379 4.428 ( 16.067 24.374 7.595) 30.165 4.503 ( -3.809 -5.160 -1.359) 6.556 4.552 ( -5.401 -8.130 -2.047) 9.973 4.825 ( -11.998 -1.112 11.774) 16.846 5.043 ( 6.143 -8.363 10.124) 14.497 5.309 ( -16.115 2.350 -7.000) 17.727 5.514 ( 10.926 5.705 -4.656) 13.176 5.691 ( 9.734 2.048 -2.176) 10.183 5.999 ( 13.738 24.459 -10.395) 29.917 6.357 ( -12.356 -1.419 5.567) 13.626 6.628 ( -5.586 7.032 -3.830) 9.763 6.716 ( 1.980 -11.242 6.662) 13.217 6.922 ( -2.255 -1.088 3.688) 4.458 6.971 ( -1.167 -5.697 5.361) 7.910 7.124 ( -3.849 -0.948 0.108) 3.965 7.259 ( -0.901 -6.099 -5.112) 8.009 7.433 ( -0.225 -2.584 -4.731) 5.396 7.574 ( 2.682 -3.353 3.605) 5.606 7.897 ( 0.456 -2.143 -6.469) 6.830 8.832 ( 3.319 7.290 0.027) 8.010 9.070 ( -1.074 1.045 -0.816) 1.707 9.125 ( 5.825 6.710 -6.589) 11.062 9.200 ( 1.631 2.841 2.743) 4.273 9.337 ( -2.955 2.636 1.382) 4.194 9.430 ( -1.670 0.781 3.373) 3.844 9.579 ( -0.480 0.886 3.469) 3.613 9.616 ( 2.489 2.421 -1.634) 3.837 9.689 ( 0.514 -1.824 3.036) 3.579 9.786 ( 2.272 2.131 -5.193) 6.056 9.925 ( -2.882 -3.332 4.146) 6.050 9.962 ( 1.225 1.768 20.398) 20.511 10.060 ( -0.896 -0.413 10.515) 10.561 10.411 ( -8.090 -10.920 -15.661) 20.736 10.899 ( -0.899 -1.467 20.121) 20.194 11.048 ( 1.724 1.124 5.253) 5.642 11.170 ( 1.037 -0.021 -3.375) 3.531 11.231 ( 1.005 -1.093 -7.063) 7.217 11.383 ( -1.119 -0.494 -0.599) 1.362 11.538 ( -2.507 -0.044 -4.640) 5.274 11.636 ( 0.000 -6.297 -5.717) 8.505 11.784 ( -1.012 -2.261 -12.983) 13.218 11.839 ( -0.580 -1.652 -5.802) 6.060 11.937 ( -1.575 -3.467 -11.113) 11.747 12.610 ( -1.472 2.735 11.218) 11.640 12.641 ( 1.122 1.642 12.202) 12.363 12.991 ( -0.927 8.590 -4.715) 9.843 13.074 ( -2.269 3.131 -6.148) 7.263 13.214 ( 9.726 0.637 -6.130) 11.514 13.395 ( 2.056 3.056 -0.731) 3.755 13.459 ( 8.389 3.060 -2.933) 9.399 13.722 ( 2.691 2.287 -5.396) 6.449 13.991 ( -8.027 -10.385 0.154) 13.127 14.039 ( -8.111 -12.485 -0.478) 14.896 14.154 ( -3.131 -5.096 1.754) 6.233 14.215 ( -5.010 -7.588 -0.450) 9.104 15.174 ( 4.731 6.200 3.495) 8.546 15.418 ( -3.705 -1.159 1.636) 4.213 15.491 ( 0.247 5.721 -5.207) 7.740 15.686 ( 2.515 -1.554 -10.219) 10.639 15.744 ( -0.383 -1.792 -0.339) 1.864 15.947 ( -0.863 -4.615 -15.233) 15.940 17.685 ( 0.633 0.853 11.070) 11.121 17.723 ( 3.053 0.884 13.057) 13.438 17.975 ( -4.546 -5.316 18.991) 20.238 18.046 ( -1.736 6.840 -3.905) 8.065 18.129 ( 4.815 1.910 -3.018) 5.995 18.235 ( 0.363 1.577 0.517) 1.698 18.488 ( 0.051 6.746 2.785) 7.299 18.588 ( 5.047 5.424 2.294) 7.756 18.638 ( 8.699 6.383 1.000) 10.835 18.918 ( -2.983 -6.391 1.388) 7.188 19.045 ( -3.066 -4.253 -1.436) 5.436 19.461 ( -12.614 -17.115 -9.402) 23.247 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.458 0.793 1.115) 1.443 2.689 ( -0.149 0.258 1.723) 1.748 2.693 ( 0.066 -0.115 2.826) 2.830 2.799 ( -1.616 2.799 -0.959) 3.371 2.806 ( -0.594 1.029 -6.713) 6.817 2.864 ( -0.002 0.003 1.074) 1.074 3.017 ( 2.922 -5.062 4.438) 7.339 3.129 ( 3.199 -5.541 -5.708) 8.574 3.129 ( -0.326 0.565 -5.388) 5.428 3.230 ( 0.799 -1.384 -4.265) 4.554 3.323 ( 0.942 -1.632 -9.211) 9.402 3.437 ( 2.539 -4.397 -9.397) 10.681 4.137 ( 1.291 -2.236 2.768) 3.786 4.238 ( -0.557 0.966 3.640) 3.807 4.240 ( 0.117 -0.203 -0.859) 0.890 4.322 ( 1.195 -2.070 3.999) 4.659 4.359 ( -1.072 1.857 -1.156) 2.436 4.445 ( -0.571 0.989 5.771) 5.883 4.502 ( -0.674 1.168 5.454) 5.618 4.670 ( -1.968 3.409 13.397) 13.964 4.891 ( -6.366 11.026 -2.513) 12.978 4.980 ( -4.884 8.459 2.448) 10.070 5.062 ( 4.533 -7.852 9.596) 13.202 5.607 ( 5.859 -10.149 -11.473) 16.400 5.968 ( -1.651 2.859 6.153) 6.983 6.076 ( -4.570 7.915 5.763) 10.804 6.396 ( -6.633 11.488 -8.973) 16.015 6.462 ( -8.198 14.199 -7.847) 18.177 6.700 ( 7.386 -12.793 8.599) 17.093 6.884 ( -0.517 0.896 5.273) 5.373 6.952 ( 3.403 -5.893 5.402) 8.689 7.131 ( -3.300 5.715 -4.137) 7.789 7.166 ( 3.725 -6.452 -2.304) 7.798 7.427 ( 1.981 -3.432 -3.817) 5.502 7.582 ( 2.698 -4.673 1.955) 5.740 7.891 ( 1.531 -2.652 -6.533) 7.215 8.912 ( -2.616 4.531 1.367) 5.407 9.043 ( 0.171 -0.297 1.259) 1.305 9.202 ( -1.204 2.085 -3.205) 4.009 9.251 ( -1.295 2.243 -2.586) 3.660 9.337 ( -0.151 0.262 6.983) 6.990 9.394 ( -3.217 5.572 3.789) 7.467 9.569 ( -0.188 0.325 4.979) 4.993 9.682 ( 0.174 -0.302 3.767) 3.783 9.703 ( -1.524 2.640 -7.167) 7.788 9.800 ( 0.601 -1.040 -2.608) 2.871 9.878 ( 0.920 -1.594 -6.127) 6.397 10.005 ( -1.064 1.843 22.430) 22.531 10.053 ( -0.248 0.430 15.063) 15.071 10.256 ( 1.468 -2.543 -17.995) 18.233 10.884 ( 0.418 -0.724 21.712) 21.728 11.057 ( 2.557 -4.429 9.697) 10.963 11.171 ( -0.120 0.208 -6.653) 6.657 11.216 ( 0.998 -1.729 -3.347) 3.897 11.421 ( -1.210 2.095 -5.427) 5.942 11.474 ( 0.223 -0.386 -13.028) 13.036 11.626 ( 2.739 -4.743 -12.034) 13.222 11.764 ( 0.215 -0.372 -2.280) 2.320 11.826 ( 0.356 -0.617 -8.195) 8.226 11.904 ( 1.473 -2.552 -9.745) 10.180 12.610 ( -1.867 3.234 12.997) 13.523 12.663 ( -1.202 2.082 13.584) 13.795 13.032 ( -3.780 6.547 -4.096) 8.598 13.058 ( -1.257 2.177 -4.821) 5.437 13.299 ( 0.743 -1.288 -6.624) 6.789 13.432 ( 0.670 -1.161 -1.097) 1.732 13.627 ( 1.969 -3.410 -3.602) 5.336 13.794 ( 0.465 -0.806 -4.561) 4.655 13.799 ( 3.351 -5.805 0.706) 6.740 13.868 ( 1.425 -2.468 -1.555) 3.246 14.096 ( 1.612 -2.792 0.865) 3.338 14.132 ( 0.717 -1.241 -0.125) 1.439 15.261 ( -1.079 1.868 3.754) 4.329 15.361 ( 0.137 -0.238 2.184) 2.201 15.515 ( -3.952 6.844 -3.333) 8.577 15.718 ( 1.323 -2.292 -16.877) 17.083 15.729 ( 0.780 -1.351 0.165) 1.568 15.906 ( 2.880 -4.989 -10.097) 11.625 17.695 ( -0.081 0.140 11.369) 11.370 17.769 ( 1.193 -2.066 19.575) 19.719 17.891 ( 0.632 -1.095 14.268) 14.324 18.065 ( -3.393 5.877 -3.828) 7.792 18.187 ( -0.680 1.178 -0.782) 1.569 18.240 ( 0.537 -0.930 -2.485) 2.707 18.516 ( -3.519 6.096 3.454) 7.841 18.688 ( -1.171 2.028 -0.612) 2.420 18.798 ( 1.625 -2.814 4.310) 5.398 18.801 ( -0.637 1.104 0.552) 1.389 19.096 ( 1.866 -3.232 -7.339) 8.234 19.156 ( 3.626 -6.281 -7.322) 10.306 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.283 10.883 7.467) 14.618 2.654 ( 4.088 7.081 -1.192) 8.263 2.754 ( -2.915 -5.048 1.362) 5.986 2.815 ( 1.460 2.529 -7.065) 7.645 2.848 ( -0.517 -0.895 -2.873) 3.053 2.891 ( -2.386 -4.133 3.588) 5.971 2.945 ( -4.009 -6.944 5.966) 9.994 3.049 ( 1.810 3.134 -8.342) 9.093 3.148 ( -0.110 -0.190 -4.583) 4.589 3.235 ( -0.085 -0.148 -5.362) 5.365 3.291 ( -1.565 -2.711 -9.016) 9.544 3.398 ( -5.036 -8.722 -9.704) 13.986 4.102 ( 1.586 2.748 3.093) 4.431 4.222 ( 1.665 2.884 -1.360) 3.597 4.279 ( -0.960 -1.663 3.709) 4.176 4.281 ( -2.294 -3.974 3.408) 5.716 4.413 ( -2.322 -4.022 -1.567) 4.902 4.416 ( -0.651 -1.128 -0.400) 1.362 4.533 ( 5.562 9.634 12.550) 16.770 4.752 ( -4.529 -7.845 11.944) 14.991 4.905 ( 3.539 6.130 8.586) 11.128 4.932 ( 8.502 14.727 3.170) 17.298 5.304 ( -5.303 -9.185 -8.464) 13.569 5.369 ( -3.959 -6.858 -5.530) 9.658 5.953 ( 9.284 16.081 8.415) 20.387 6.292 ( -1.718 -2.976 7.050) 7.843 6.458 ( -6.289 -10.892 8.755) 15.324 6.474 ( 11.054 19.147 -8.882) 23.826 6.739 ( 0.473 0.820 -5.897) 5.972 6.857 ( -2.840 -4.919 0.052) 5.680 6.927 ( -0.141 -0.244 4.643) 4.651 7.029 ( -3.941 -6.826 -0.088) 7.882 7.226 ( 1.337 2.316 -5.763) 6.353 7.345 ( -2.802 -4.852 -7.044) 9.001 7.549 ( -0.085 -0.147 5.589) 5.592 7.861 ( -0.674 -1.167 -5.785) 5.940 8.955 ( 2.934 5.083 2.208) 6.271 9.043 ( -1.521 -2.634 1.935) 3.605 9.237 ( 2.073 3.590 -4.581) 6.178 9.255 ( 1.321 2.287 0.669) 2.725 9.337 ( -0.919 -1.591 7.559) 7.779 9.465 ( 0.598 1.035 3.937) 4.115 9.591 ( 1.512 2.619 6.953) 7.582 9.661 ( -0.098 -0.170 4.162) 4.167 9.720 ( 2.727 4.723 -5.384) 7.664 9.815 ( -0.043 -0.075 -7.292) 7.293 9.841 ( -2.699 -4.675 -3.229) 6.290 10.021 ( 1.947 3.372 16.517) 16.970 10.057 ( -0.060 -0.104 16.032) 16.033 10.242 ( -3.297 -5.711 -19.606) 20.685 10.878 ( -0.342 -0.592 21.304) 21.315 11.006 ( -1.694 -2.933 10.703) 11.226 11.171 ( 0.261 0.452 -4.326) 4.357 11.198 ( -1.017 -1.761 -5.203) 5.586 11.430 ( 2.596 4.496 -9.945) 11.218 11.517 ( -2.099 -3.635 -8.274) 9.278 11.540 ( -1.369 -2.371 -13.493) 13.768 11.762 ( -0.053 -0.091 -4.354) 4.355 11.826 ( 0.188 0.326 -7.693) 7.702 11.871 ( -1.686 -2.920 -10.133) 10.679 12.656 ( 1.096 1.898 14.767) 14.929 12.678 ( 0.599 1.037 14.956) 15.004 13.074 ( 1.432 2.480 -3.870) 4.814 13.149 ( 1.105 1.914 -2.778) 3.550 13.222 ( -0.034 -0.059 -6.440) 6.440 13.486 ( 1.731 2.997 -9.749) 10.345 13.519 ( 4.043 7.003 4.627) 9.316 13.753 ( -7.333 -12.700 0.865) 14.691 13.770 ( 1.684 2.917 -5.086) 6.100 13.863 ( -3.625 -6.279 -2.821) 7.780 14.063 ( -2.007 -3.475 1.292) 4.216 14.126 ( -1.043 -1.807 -0.891) 2.269 15.276 ( 2.507 4.343 3.274) 5.989 15.361 ( -1.906 -3.301 2.720) 4.683 15.628 ( 3.250 5.629 -9.649) 11.633 15.663 ( 0.112 0.195 -10.311) 10.313 15.716 ( -0.631 -1.093 -0.753) 1.469 15.844 ( -3.050 -5.283 -8.989) 10.864 17.707 ( 0.688 1.191 14.449) 14.514 17.733 ( 0.067 0.115 16.303) 16.303 17.882 ( -1.844 -3.193 14.874) 15.324 18.157 ( 1.889 3.272 -3.876) 5.413 18.167 ( 1.609 2.788 -3.133) 4.492 18.233 ( -1.165 -2.017 -1.533) 2.788 18.628 ( 3.419 5.922 2.297) 7.214 18.649 ( 1.990 3.448 4.580) 6.068 18.789 ( -4.112 -7.122 3.281) 8.854 18.824 ( 6.141 10.637 -4.444) 13.062 18.988 ( -0.352 -0.610 -5.317) 5.363 19.146 ( -8.724 -15.111 -7.412) 18.958 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.000 0.000 -30.198) 30.198 1.493 ( 0.000 -0.000 -30.198) 30.198 1.493 ( 0.000 -0.000 30.198) 30.198 1.493 ( 0.000 0.000 30.198) 30.198 2.655 ( 0.000 0.000 -53.514) 53.514 2.655 ( 0.000 0.000 53.514) 53.514 2.692 ( 0.000 0.000 -6.672) 6.672 2.692 ( 0.000 0.000 6.672) 6.672 3.414 ( 0.000 -0.000 -6.650) 6.650 3.414 ( 0.000 0.000 6.650) 6.650 3.619 ( 0.000 0.000 -6.714) 6.714 3.619 ( -0.000 0.000 -6.714) 6.714 3.619 ( -0.000 -0.000 6.714) 6.714 3.619 ( -0.000 0.000 6.714) 6.714 4.743 ( 0.000 -0.000 -0.467) 0.467 4.743 ( 0.000 0.000 -0.467) 0.467 4.743 ( 0.000 0.000 0.467) 0.467 4.743 ( 0.000 0.000 0.467) 0.467 5.229 ( 0.000 -0.000 -4.015) 4.015 5.229 ( 0.000 -0.000 -4.015) 4.015 5.229 ( 0.000 0.000 4.015) 4.015 5.229 ( 0.000 0.000 4.015) 4.015 5.358 ( -0.000 -0.000 -3.962) 3.962 5.358 ( 0.000 0.000 -3.962) 3.962 5.358 ( -0.000 0.000 3.962) 3.962 5.358 ( -0.000 -0.000 3.962) 3.962 6.780 ( -0.000 -0.000 -11.406) 11.406 6.780 ( 0.000 0.000 11.406) 11.406 7.194 ( 0.000 0.000 -0.125) 0.125 7.194 ( 0.000 -0.000 0.125) 0.125 7.575 ( 0.000 0.000 -12.802) 12.802 7.575 ( 0.000 0.000 12.802) 12.802 7.644 ( -0.000 -0.000 -0.118) 0.118 7.644 ( 0.000 0.000 -0.118) 0.118 7.644 ( 0.000 -0.000 0.118) 0.118 7.644 ( 0.000 0.000 0.118) 0.118 8.383 ( 0.000 -0.000 -22.478) 22.478 8.383 ( 0.000 0.000 22.478) 22.478 9.275 ( -0.000 0.000 -17.183) 17.183 9.275 ( 0.000 0.000 17.183) 17.183 9.560 ( 0.000 0.000 -5.831) 5.831 9.560 ( 0.000 0.000 -5.831) 5.831 9.560 ( -0.000 0.000 5.831) 5.831 9.560 ( -0.000 0.000 5.831) 5.831 9.796 ( -0.000 0.000 -8.321) 8.321 9.796 ( 0.000 0.000 -8.321) 8.321 9.796 ( -0.000 0.000 8.321) 8.321 9.796 ( 0.000 -0.000 8.321) 8.321 10.183 ( -0.000 -0.000 -6.519) 6.519 10.183 ( 0.000 -0.000 -6.519) 6.519 10.183 ( 0.000 -0.000 6.519) 6.519 10.183 ( 0.000 -0.000 6.519) 6.519 11.539 ( 0.000 -0.000 -15.218) 15.218 11.539 ( -0.000 0.000 -15.218) 15.218 11.539 ( 0.000 0.000 15.218) 15.218 11.539 ( -0.000 0.000 15.218) 15.218 12.192 ( 0.000 0.000 -21.875) 21.875 12.192 ( 0.000 -0.000 21.875) 21.875 12.195 ( 0.000 -0.000 -3.153) 3.153 12.195 ( -0.000 -0.000 -3.153) 3.153 12.195 ( 0.000 -0.000 3.153) 3.153 12.195 ( 0.000 0.000 3.153) 3.153 12.414 ( 0.000 -0.000 -25.833) 25.833 12.414 ( 0.000 -0.000 25.833) 25.833 13.383 ( 0.000 0.000 -9.245) 9.245 13.383 ( 0.000 0.000 -9.245) 9.245 13.383 ( 0.000 0.000 9.245) 9.245 13.383 ( 0.000 0.000 9.245) 9.245 14.131 ( 0.000 -0.000 -1.198) 1.198 14.131 ( 0.000 0.000 1.198) 1.198 14.954 ( 0.000 0.000 -0.115) 0.115 14.954 ( 0.000 -0.000 -0.115) 0.115 14.954 ( -0.000 0.000 0.115) 0.115 14.954 ( -0.000 0.000 0.115) 0.115 15.571 ( -0.000 0.000 -5.046) 5.046 15.571 ( 0.000 0.000 5.046) 5.046 15.644 ( 0.000 -0.000 -9.579) 9.579 15.644 ( 0.000 -0.000 9.579) 9.579 17.579 ( -0.000 -0.000 -0.644) 0.644 17.579 ( -0.000 0.000 -0.644) 0.644 17.579 ( 0.000 -0.000 0.644) 0.644 17.579 ( 0.000 0.000 0.644) 0.644 18.074 ( 0.000 0.000 -0.726) 0.726 18.074 ( -0.000 0.000 -0.726) 0.726 18.074 ( -0.000 0.000 0.726) 0.726 18.074 ( 0.000 0.000 0.726) 0.726 19.336 ( -0.000 -0.000 -1.673) 1.673 19.336 ( 0.000 0.000 1.673) 1.673 20.942 ( 0.000 0.000 -0.793) 0.793 20.942 ( 0.000 0.000 0.793) 0.793 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.605 0.349 -32.232) 32.240 1.477 ( 0.605 0.349 32.232) 32.240 1.592 ( 8.740 5.046 -27.900) 29.669 1.592 ( 8.740 5.046 27.900) 29.669 2.705 ( 1.152 0.665 -6.402) 6.538 2.705 ( 1.152 0.665 6.402) 6.538 2.869 ( 16.610 9.590 -42.211) 46.364 2.869 ( 16.610 9.590 42.211) 46.364 3.363 ( -1.595 -0.921 -6.021) 6.296 3.363 ( -1.595 -0.921 6.021) 6.296 3.652 ( 2.956 1.707 -6.336) 7.197 3.652 ( 2.956 1.707 6.336) 7.197 3.829 ( 16.062 9.274 -3.159) 18.814 3.829 ( 16.062 9.274 3.159) 18.814 4.579 ( -13.418 -7.747 -1.777) 15.595 4.579 ( -13.418 -7.747 1.777) 15.595 4.603 ( -10.923 -6.306 -2.105) 12.787 4.603 ( -10.923 -6.306 2.105) 12.787 5.196 ( -7.575 -4.373 -5.518) 10.342 5.196 ( -7.575 -4.373 5.518) 10.342 5.253 ( -2.612 -1.508 -3.459) 4.589 5.253 ( -2.612 -1.508 3.459) 4.589 5.306 ( -1.093 -0.631 -2.643) 2.929 5.306 ( -1.093 -0.631 2.643) 2.929 5.333 ( 1.774 1.024 -5.349) 5.727 5.333 ( 1.774 1.024 5.349) 5.727 6.710 ( -5.689 -3.284 -8.894) 11.056 6.710 ( -5.689 -3.284 8.894) 11.056 7.178 ( -1.631 -0.942 -0.405) 1.927 7.178 ( -1.631 -0.942 0.405) 1.927 7.447 ( -6.652 -3.840 -2.834) 8.187 7.447 ( -6.652 -3.840 2.834) 8.187 7.599 ( -3.692 -2.132 -1.562) 4.541 7.599 ( -3.692 -2.132 1.562) 4.541 7.685 ( 1.812 1.046 -2.941) 3.610 7.685 ( 1.812 1.046 2.941) 3.610 8.391 ( 1.173 0.677 -16.571) 16.626 8.391 ( 1.173 0.677 16.571) 16.626 9.178 ( -6.171 -3.563 -11.278) 13.341 9.178 ( -6.171 -3.563 11.278) 13.341 9.536 ( -2.880 -1.663 -3.737) 5.002 9.536 ( -2.880 -1.663 3.737) 5.002 9.576 ( 1.057 0.610 -4.013) 4.195 9.576 ( 1.057 0.610 4.013) 4.195 9.809 ( 0.937 0.541 -8.183) 8.254 9.809 ( 0.937 0.541 8.183) 8.254 10.022 ( 14.302 8.257 -10.593) 19.620 10.022 ( 14.302 8.257 10.593) 19.620 10.238 ( 4.882 2.819 -1.949) 5.965 10.238 ( 4.882 2.819 1.949) 5.965 10.344 ( 13.070 7.546 -4.717) 15.812 10.344 ( 13.070 7.546 4.717) 15.812 11.434 ( -8.294 -4.789 -16.041) 18.683 11.434 ( -8.294 -4.789 16.041) 18.683 11.536 ( -0.361 -0.208 -15.263) 15.269 11.536 ( -0.361 -0.208 15.263) 15.269 12.103 ( -5.039 -2.909 -5.719) 8.158 12.103 ( -5.039 -2.909 5.719) 8.158 12.128 ( -4.895 -2.826 -4.182) 7.032 12.128 ( -4.895 -2.826 4.182) 7.032 12.279 ( 4.565 2.636 -9.600) 10.952 12.279 ( 4.565 2.636 9.600) 10.952 12.509 ( 6.842 3.950 -22.142) 23.509 12.509 ( 6.842 3.950 22.142) 23.509 13.320 ( -4.674 -2.699 -9.312) 10.763 13.320 ( -4.674 -2.699 9.312) 10.763 13.393 ( 0.963 0.556 -9.079) 9.147 13.393 ( 0.963 0.556 9.079) 9.147 14.308 ( 13.481 7.783 -4.324) 16.156 14.308 ( 13.481 7.783 4.324) 16.156 14.866 ( -7.209 -4.162 -1.206) 8.411 14.866 ( -7.209 -4.162 1.206) 8.411 14.895 ( -4.823 -2.785 -0.780) 5.624 14.895 ( -4.823 -2.785 0.780) 5.624 15.600 ( 1.845 1.065 -3.141) 3.795 15.600 ( 1.845 1.065 3.141) 3.795 15.684 ( 3.100 1.790 -6.994) 7.857 15.684 ( 3.100 1.790 6.994) 7.857 17.607 ( 2.483 1.434 -0.392) 2.894 17.607 ( 2.483 1.434 0.392) 2.894 17.618 ( 3.392 1.959 -0.993) 4.041 17.618 ( 3.392 1.959 0.993) 4.041 18.087 ( 1.009 0.582 -0.129) 1.172 18.087 ( 1.009 0.582 0.129) 1.172 18.097 ( 2.239 1.293 -0.611) 2.657 18.097 ( 2.239 1.293 0.611) 2.657 19.300 ( -3.263 -1.884 -2.354) 4.442 19.300 ( -3.263 -1.884 2.354) 4.442 20.682 ( -20.743 -11.976 -11.652) 26.636 20.682 ( -20.743 -11.976 11.652) 26.636 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 10.448 6.032 -26.042) 28.701 1.594 ( 10.448 6.032 26.042) 28.701 1.859 ( 14.963 8.639 -22.831) 28.632 1.859 ( 14.963 8.639 22.831) 28.632 2.739 ( 1.833 1.058 -5.526) 5.918 2.739 ( 1.833 1.058 5.526) 5.918 3.177 ( 5.404 3.120 -6.576) 9.065 3.177 ( 5.404 3.120 6.576) 9.065 3.473 ( 15.419 8.902 -14.248) 22.803 3.473 ( 15.419 8.902 14.248) 22.803 3.746 ( 5.419 3.129 -5.254) 8.171 3.746 ( 5.419 3.129 5.254) 8.171 4.211 ( -13.910 -8.031 -4.685) 16.731 4.211 ( -13.910 -8.031 4.685) 16.731 4.239 ( 4.603 2.658 -0.443) 5.334 4.239 ( 4.603 2.658 0.443) 5.334 4.345 ( -1.191 -0.688 -3.885) 4.121 4.345 ( -1.191 -0.688 3.885) 4.121 4.944 ( -13.004 -7.508 -1.984) 15.146 4.944 ( -13.004 -7.508 1.984) 15.146 5.085 ( -9.873 -5.700 -0.823) 11.430 5.085 ( -9.873 -5.700 0.823) 11.430 5.289 ( -2.489 -1.437 -5.930) 6.590 5.289 ( -2.489 -1.437 5.930) 6.590 5.418 ( 4.152 2.397 -10.210) 11.280 5.418 ( 4.152 2.397 10.210) 11.280 6.581 ( -5.166 -2.982 -6.318) 8.689 6.581 ( -5.166 -2.982 6.318) 8.689 7.104 ( -5.255 -3.034 -0.180) 6.071 7.104 ( -5.255 -3.034 0.180) 6.071 7.351 ( -2.189 -1.264 -2.002) 3.224 7.351 ( -2.189 -1.264 2.002) 3.224 7.503 ( -4.569 -2.638 -2.374) 5.785 7.503 ( -4.569 -2.638 2.374) 5.785 7.723 ( 1.553 0.896 -4.488) 4.833 7.723 ( 1.553 0.896 4.488) 4.833 8.454 ( 4.743 2.739 -5.661) 7.877 8.454 ( 4.743 2.739 5.661) 7.877 9.075 ( -2.482 -1.433 -3.587) 4.591 9.075 ( -2.482 -1.433 3.587) 4.591 9.447 ( -4.553 -2.629 -1.628) 5.504 9.447 ( -4.553 -2.629 1.628) 5.504 9.583 ( -0.594 -0.343 -2.942) 3.021 9.583 ( -0.594 -0.343 2.942) 3.021 9.819 ( -0.289 -0.167 -9.012) 9.018 9.819 ( -0.289 -0.167 9.012) 9.018 10.274 ( 7.923 4.574 -21.367) 23.243 10.274 ( 7.923 4.574 21.367) 23.243 10.383 ( 7.713 4.453 -10.984) 14.141 10.383 ( 7.713 4.453 10.984) 14.141 10.625 ( 8.661 5.000 -13.892) 17.117 10.625 ( 8.661 5.000 13.892) 17.117 11.251 ( -5.856 -3.381 -13.906) 15.463 11.251 ( -5.856 -3.381 13.906) 15.463 11.517 ( -1.372 -0.792 -14.162) 14.250 11.517 ( -1.372 -0.792 14.162) 14.250 11.965 ( -7.256 -4.189 -3.373) 9.032 11.965 ( -7.256 -4.189 3.373) 9.032 12.007 ( -5.869 -3.389 -1.738) 6.997 12.007 ( -5.869 -3.389 1.738) 6.997 12.399 ( 6.117 3.531 -4.427) 8.336 12.399 ( 6.117 3.531 4.427) 8.336 12.669 ( 7.445 4.298 -14.167) 16.572 12.669 ( 7.445 4.298 14.167) 16.572 13.212 ( -4.535 -2.618 -8.467) 9.956 13.212 ( -4.535 -2.618 8.467) 9.956 13.427 ( 2.234 1.290 -8.562) 8.942 13.427 ( 2.234 1.290 8.562) 8.942 14.549 ( 1.993 1.151 -2.524) 3.416 14.549 ( 1.993 1.151 2.524) 3.416 14.671 ( -9.861 -5.693 -2.953) 11.763 14.671 ( -9.861 -5.693 2.953) 11.763 14.829 ( 3.982 2.299 -3.562) 5.816 14.829 ( 3.982 2.299 3.562) 5.816 15.621 ( -0.336 -0.194 -0.227) 0.450 15.621 ( -0.336 -0.194 0.227) 0.450 15.755 ( 2.842 1.641 -1.929) 3.806 15.755 ( 2.842 1.641 1.929) 3.806 17.682 ( 4.043 2.334 -0.673) 4.717 17.682 ( 4.043 2.334 0.673) 4.717 17.721 ( 5.689 3.285 -5.411) 8.511 17.721 ( 5.689 3.285 5.411) 8.511 18.114 ( 1.432 0.827 -0.686) 1.790 18.114 ( 1.432 0.827 0.686) 1.790 18.180 ( 5.404 3.120 -1.961) 6.541 18.180 ( 5.404 3.120 1.961) 6.541 19.192 ( -6.374 -3.680 -4.388) 8.568 19.192 ( -6.374 -3.680 4.388) 8.568 20.165 ( -23.828 -13.757 -23.656) 36.285 20.165 ( -23.828 -13.757 23.656) 36.285 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 16.868 9.738 -14.581) 24.330 1.909 ( 16.868 9.738 14.581) 24.330 2.230 ( 18.173 10.492 -17.623) 27.402 2.230 ( 18.173 10.492 17.623) 27.402 2.776 ( 1.167 0.674 -3.897) 4.123 2.776 ( 1.167 0.674 3.897) 4.123 3.196 ( -1.148 -0.663 -3.969) 4.185 3.196 ( -1.148 -0.663 3.969) 4.185 3.748 ( -9.142 -5.278 -3.988) 11.284 3.748 ( -9.142 -5.278 3.988) 11.284 3.862 ( -9.059 -5.230 -4.836) 11.524 3.862 ( -9.059 -5.230 4.836) 11.524 3.938 ( 16.384 9.459 -10.371) 21.575 3.938 ( 16.384 9.459 10.371) 21.575 3.997 ( -5.475 -3.161 -3.525) 7.238 3.997 ( -5.475 -3.161 3.525) 7.238 4.633 ( -6.594 -3.807 -0.852) 7.662 4.633 ( -6.594 -3.807 0.852) 7.662 4.752 ( -0.364 -0.210 -2.544) 2.578 4.752 ( -0.364 -0.210 2.544) 2.578 4.929 ( 6.437 3.716 -2.958) 8.000 4.929 ( 6.437 3.716 2.958) 8.000 5.199 ( -3.983 -2.299 -7.160) 8.510 5.199 ( -3.983 -2.299 7.160) 8.510 5.497 ( 3.090 1.784 -11.906) 12.429 5.497 ( 3.090 1.784 11.906) 12.429 6.481 ( -4.760 -2.748 -4.058) 6.832 6.481 ( -4.760 -2.748 4.058) 6.832 6.972 ( -5.630 -3.250 -1.705) 6.720 6.972 ( -5.630 -3.250 1.705) 6.720 7.301 ( -3.894 -2.248 -4.496) 6.358 7.301 ( -3.894 -2.248 4.496) 6.358 7.428 ( -1.355 -0.782 -2.082) 2.604 7.428 ( -1.355 -0.782 2.082) 2.604 7.749 ( 0.763 0.440 -6.439) 6.498 7.749 ( 0.763 0.440 6.439) 6.498 8.601 ( 8.364 4.829 -3.822) 10.386 8.601 ( 8.364 4.829 3.822) 10.386 9.069 ( 1.373 0.792 -1.884) 2.462 9.069 ( 1.373 0.792 1.884) 2.462 9.360 ( -2.688 -1.552 -1.494) 3.445 9.360 ( -2.688 -1.552 1.494) 3.445 9.557 ( -1.420 -0.820 -4.899) 5.167 9.557 ( -1.420 -0.820 4.899) 5.167 9.790 ( -2.252 -1.300 -9.195) 9.555 9.790 ( -2.252 -1.300 9.195) 9.555 10.349 ( -2.760 -1.594 -20.079) 20.330 10.349 ( -2.760 -1.594 20.079) 20.330 10.538 ( 5.255 3.034 -22.159) 22.974 10.538 ( 5.255 3.034 22.159) 22.974 10.663 ( -1.075 -0.621 -30.293) 30.318 10.663 ( -1.075 -0.621 30.293) 30.318 11.255 ( 4.629 2.673 -9.390) 10.805 11.255 ( 4.629 2.673 9.390) 10.805 11.479 ( -2.070 -1.195 -8.415) 8.748 11.479 ( -2.070 -1.195 8.415) 8.748 11.803 ( -6.786 -3.918 -1.464) 7.971 11.803 ( -6.786 -3.918 1.464) 7.971 11.876 ( -5.788 -3.342 -0.327) 6.692 11.876 ( -5.788 -3.342 0.327) 6.692 12.532 ( 5.650 3.262 -1.053) 6.609 12.532 ( 5.650 3.262 1.053) 6.609 12.833 ( 6.450 3.724 -1.118) 7.531 12.833 ( 6.450 3.724 1.118) 7.531 13.146 ( -0.305 -0.176 -5.326) 5.338 13.146 ( -0.305 -0.176 5.326) 5.338 13.494 ( 3.810 2.200 -7.586) 8.769 13.494 ( 3.810 2.200 7.586) 8.769 14.394 ( -11.481 -6.629 -2.886) 13.568 14.394 ( -11.481 -6.629 2.886) 13.568 14.453 ( -9.538 -5.507 -3.541) 11.568 14.453 ( -9.538 -5.507 3.541) 11.568 15.043 ( 10.794 6.232 -8.253) 14.948 15.043 ( 10.794 6.232 8.253) 14.948 15.583 ( -2.955 -1.706 -1.925) 3.918 15.583 ( -2.955 -1.706 1.925) 3.918 15.800 ( 1.223 0.706 -2.153) 2.575 15.800 ( 1.223 0.706 2.153) 2.575 17.771 ( 3.664 2.115 -1.690) 4.555 17.771 ( 3.664 2.115 1.690) 4.555 17.859 ( 6.581 3.799 -9.551) 12.205 17.859 ( 6.581 3.799 9.551) 12.205 18.147 ( 1.425 0.822 -0.844) 1.849 18.147 ( 1.425 0.822 0.844) 1.849 18.334 ( 8.229 4.751 -1.241) 9.583 18.334 ( 8.229 4.751 1.241) 9.583 19.028 ( -7.997 -4.617 -7.699) 12.023 19.028 ( -7.997 -4.617 7.699) 12.023 19.680 ( -19.796 -11.429 -23.887) 33.062 19.680 ( -19.796 -11.429 23.887) 33.062 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 16.390 9.463 -6.623) 20.050 2.288 ( 16.390 9.463 6.623) 20.050 2.637 ( 16.994 9.811 -12.513) 23.273 2.637 ( 16.994 9.811 12.513) 23.273 2.774 ( -0.804 -0.464 -2.391) 2.565 2.774 ( -0.804 -0.464 2.391) 2.565 3.162 ( -1.246 -0.719 -3.937) 4.191 3.162 ( -1.246 -0.719 3.937) 4.191 3.439 ( -13.372 -7.720 -3.544) 15.842 3.439 ( -13.372 -7.720 3.544) 15.842 3.536 ( -16.232 -9.371 -4.576) 19.293 3.536 ( -16.232 -9.371 4.576) 19.293 4.087 ( 7.592 4.383 -2.517) 9.121 4.087 ( 7.592 4.383 2.517) 9.121 4.315 ( 12.099 6.985 -0.457) 13.978 4.315 ( 12.099 6.985 0.457) 13.978 4.460 ( -4.550 -2.627 -0.612) 5.290 4.460 ( -4.550 -2.627 0.612) 5.290 4.580 ( -7.715 -4.454 -1.727) 9.074 4.580 ( -7.715 -4.454 1.727) 9.074 4.956 ( -8.252 -4.764 -8.627) 12.853 4.956 ( -8.252 -4.764 8.627) 12.853 5.410 ( 14.009 8.088 -9.276) 18.647 5.410 ( 14.009 8.088 9.276) 18.647 5.592 ( 9.480 5.473 -8.787) 14.037 5.592 ( 9.480 5.473 8.787) 14.037 6.310 ( -11.696 -6.753 -0.172) 13.507 6.310 ( -11.696 -6.753 0.172) 13.507 6.910 ( 0.570 0.329 -2.040) 2.143 6.910 ( 0.570 0.329 2.040) 2.143 7.179 ( -6.275 -3.623 -1.516) 7.403 7.179 ( -6.275 -3.623 1.516) 7.403 7.430 ( 0.672 0.388 -4.544) 4.609 7.430 ( 0.672 0.388 4.544) 4.609 7.760 ( 0.295 0.170 -8.167) 8.174 7.760 ( 0.295 0.170 8.167) 8.174 8.801 ( 8.854 5.112 -10.209) 14.448 8.801 ( 8.854 5.112 10.209) 14.448 9.096 ( 0.268 0.155 -2.428) 2.448 9.096 ( 0.268 0.155 2.428) 2.448 9.353 ( 2.138 1.234 -7.286) 7.693 9.353 ( 2.138 1.234 7.286) 7.693 9.528 ( -1.244 -0.718 -9.816) 9.921 9.528 ( -1.244 -0.718 9.816) 9.921 9.739 ( -1.628 -0.940 -7.980) 8.199 9.739 ( -1.628 -0.940 7.980) 8.199 10.146 ( -12.387 -7.152 -17.763) 22.806 10.146 ( -12.387 -7.152 17.763) 22.806 10.621 ( 3.169 1.830 -28.273) 28.509 10.621 ( 3.169 1.830 28.273) 28.509 10.703 ( 2.534 1.463 -35.619) 35.739 10.703 ( 2.534 1.463 35.619) 35.739 11.340 ( 1.487 0.858 -4.789) 5.088 11.340 ( 1.487 0.858 4.789) 5.088 11.431 ( -1.373 -0.793 -8.106) 8.259 11.431 ( -1.373 -0.793 8.106) 8.259 11.696 ( -2.543 -1.468 -7.546) 8.097 11.696 ( -2.543 -1.468 7.546) 8.097 11.761 ( -4.337 -2.504 -2.653) 5.668 11.761 ( -4.337 -2.504 2.653) 5.668 12.652 ( 5.321 3.072 -5.726) 8.399 12.652 ( 5.321 3.072 5.726) 8.399 12.873 ( -2.477 -1.430 -10.015) 10.415 12.873 ( -2.477 -1.430 10.015) 10.415 13.255 ( 8.526 4.923 -7.120) 12.150 13.255 ( 8.526 4.923 7.120) 12.150 13.598 ( 5.736 3.312 -6.298) 9.140 13.598 ( 5.736 3.312 6.298) 9.140 14.119 ( -12.703 -7.334 -3.229) 15.020 14.119 ( -12.703 -7.334 3.229) 15.020 14.263 ( -7.111 -4.105 -2.728) 8.652 14.263 ( -7.111 -4.105 2.728) 8.652 15.248 ( 7.725 4.460 -6.539) 11.060 15.248 ( 7.725 4.460 6.539) 11.060 15.500 ( -4.341 -2.506 -3.850) 6.320 15.500 ( -4.341 -2.506 3.850) 6.320 15.814 ( 0.266 0.153 -4.313) 4.324 15.814 ( 0.266 0.153 4.313) 4.324 17.834 ( 1.950 1.126 -1.533) 2.724 17.834 ( 1.950 1.126 1.533) 2.724 18.001 ( 6.000 3.464 -9.580) 11.823 18.001 ( 6.000 3.464 9.580) 11.823 18.170 ( 0.391 0.226 -2.774) 2.811 18.170 ( 0.391 0.226 2.774) 2.811 18.514 ( 6.683 3.858 -2.559) 8.130 18.514 ( 6.683 3.858 2.559) 8.130 18.885 ( -3.066 -1.770 -10.302) 10.893 18.885 ( -3.066 -1.770 10.302) 10.893 19.292 ( -15.437 -8.912 -17.487) 24.970 19.292 ( -15.437 -8.912 17.487) 24.970 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.000 0.000 -2.981) 2.981 2.556 ( 0.000 0.000 2.981) 2.981 2.644 ( 0.000 0.000 -1.190) 1.190 2.644 ( 0.000 0.000 1.190) 1.190 3.035 ( 0.000 0.000 -9.397) 9.397 3.035 ( 0.000 0.000 9.397) 9.397 3.111 ( -0.000 -0.000 -10.667) 10.667 3.111 ( -0.000 -0.000 10.667) 10.667 3.171 ( 0.000 0.000 -4.827) 4.827 3.171 ( -0.000 -0.000 4.827) 4.827 3.336 ( 0.000 0.000 -7.401) 7.401 3.336 ( 0.000 0.000 7.401) 7.401 4.245 ( 0.000 0.000 -0.236) 0.236 4.245 ( -0.000 -0.000 0.236) 0.236 4.279 ( -0.000 -0.000 -2.332) 2.332 4.279 ( 0.000 0.000 2.332) 2.332 4.451 ( 0.000 0.000 -3.994) 3.994 4.451 ( -0.000 -0.000 3.994) 3.994 4.614 ( 0.000 0.000 -6.106) 6.106 4.614 ( -0.000 -0.000 6.106) 6.106 4.794 ( 0.000 0.000 -4.104) 4.104 4.794 ( 0.000 0.000 4.104) 4.104 5.508 ( 0.000 0.000 -13.418) 13.418 5.508 ( 0.000 0.000 13.418) 13.418 5.965 ( -0.000 -0.000 -3.738) 3.738 5.965 ( 0.000 0.000 3.738) 3.738 5.974 ( 0.000 0.000 -2.677) 2.677 5.974 ( -0.000 -0.000 2.677) 2.677 6.950 ( 0.000 0.000 -2.353) 2.353 6.950 ( 0.000 0.000 2.353) 2.353 7.079 ( 0.000 0.000 -3.563) 3.563 7.079 ( 0.000 0.000 3.563) 3.563 7.439 ( 0.000 0.000 -5.566) 5.566 7.439 ( 0.000 0.000 5.566) 5.566 7.763 ( 0.000 0.000 -8.909) 8.909 7.763 ( 0.000 0.000 8.909) 8.909 8.920 ( 0.000 0.000 -12.582) 12.582 8.920 ( 0.000 0.000 12.582) 12.582 9.089 ( 0.000 0.000 -2.167) 2.167 9.089 ( 0.000 0.000 2.167) 2.167 9.403 ( 0.000 0.000 -8.627) 8.627 9.403 ( 0.000 0.000 8.627) 8.627 9.504 ( 0.000 0.000 -13.720) 13.720 9.504 ( -0.000 -0.000 13.720) 13.720 9.736 ( 0.000 0.000 -8.236) 8.236 9.736 ( 0.000 0.000 8.236) 8.236 9.963 ( 0.000 0.000 -15.819) 15.819 9.963 ( -0.000 -0.000 15.819) 15.819 10.664 ( 0.000 0.000 -29.656) 29.656 10.664 ( 0.000 0.000 29.656) 29.656 10.730 ( 0.000 0.000 -37.430) 37.430 10.730 ( 0.000 0.000 37.430) 37.430 11.333 ( 0.000 0.000 -0.146) 0.146 11.333 ( 0.000 0.000 0.146) 0.146 11.431 ( 0.000 0.000 -16.444) 16.444 11.431 ( 0.000 0.000 16.444) 16.444 11.676 ( 0.000 0.000 -5.088) 5.088 11.676 ( 0.000 0.000 5.088) 5.088 11.706 ( 0.000 0.000 -6.847) 6.847 11.706 ( 0.000 0.000 6.847) 6.847 12.747 ( 0.000 0.000 -8.374) 8.374 12.747 ( 0.000 0.000 8.374) 8.374 12.803 ( -0.000 -0.000 -9.618) 9.618 12.803 ( -0.000 -0.000 9.618) 9.618 13.376 ( 0.000 0.000 -11.040) 11.040 13.376 ( 0.000 0.000 11.040) 11.040 13.713 ( 0.000 0.000 -5.116) 5.116 13.713 ( 0.000 0.000 5.116) 5.116 13.915 ( 0.000 0.000 -2.512) 2.512 13.915 ( 0.000 0.000 2.512) 2.512 14.176 ( 0.000 0.000 -1.917) 1.917 14.176 ( 0.000 0.000 1.917) 1.917 15.381 ( -0.000 -0.000 -2.594) 2.594 15.381 ( 0.000 0.000 2.594) 2.594 15.403 ( -0.000 -0.000 -12.712) 12.712 15.403 ( 0.000 0.000 12.712) 12.712 15.817 ( 0.000 0.000 -4.941) 4.941 15.817 ( 0.000 0.000 4.941) 4.941 17.856 ( 0.000 0.000 -1.203) 1.203 17.856 ( 0.000 0.000 1.203) 1.203 18.087 ( 0.000 0.000 -4.746) 4.746 18.087 ( 0.000 0.000 4.746) 4.746 18.163 ( 0.000 0.000 -8.456) 8.456 18.163 ( 0.000 0.000 8.456) 8.456 18.575 ( 0.000 0.000 -6.807) 6.807 18.575 ( 0.000 0.000 6.807) 6.807 18.938 ( 0.000 0.000 -10.723) 10.723 18.938 ( 0.000 0.000 10.723) 10.723 19.040 ( 0.000 0.000 -11.973) 11.973 19.040 ( 0.000 0.000 11.973) 11.973 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.857 8.412 -29.102) 30.680 1.549 ( 4.857 8.412 29.102) 30.680 1.764 ( 7.254 12.565 -24.723) 28.665 1.764 ( 7.254 12.565 24.723) 28.665 2.729 ( 1.025 1.775 -5.830) 6.180 2.729 ( 1.025 1.775 5.830) 6.180 3.129 ( 6.673 11.559 -18.186) 22.558 3.129 ( 6.673 11.559 18.186) 22.558 3.401 ( 5.301 9.182 -6.707) 12.546 3.401 ( 5.301 9.182 6.707) 12.546 3.710 ( 2.492 4.316 -5.855) 7.689 3.710 ( 2.492 4.316 5.855) 7.689 4.135 ( 11.633 20.149 -1.682) 23.326 4.135 ( 11.633 20.149 1.682) 23.326 4.359 ( -8.302 -14.379 -4.720) 17.262 4.359 ( -8.302 -14.379 4.720) 17.262 4.363 ( -9.252 -16.025 -3.982) 18.927 4.363 ( -9.252 -16.025 3.982) 18.927 5.023 ( -7.236 -12.532 -3.999) 15.013 5.023 ( -7.236 -12.532 3.999) 15.013 5.139 ( -5.463 -9.462 -1.576) 11.039 5.139 ( -5.463 -9.462 1.576) 11.039 5.334 ( 0.704 1.220 -7.212) 7.348 5.334 ( 0.704 1.220 7.212) 7.348 5.362 ( 1.287 2.229 -8.615) 8.992 5.362 ( 1.287 2.229 8.615) 8.992 6.617 ( -3.054 -5.289 -6.838) 9.169 6.617 ( -3.054 -5.289 6.838) 9.169 7.141 ( -1.758 -3.046 -1.070) 3.676 7.141 ( -1.758 -3.046 1.070) 3.676 7.356 ( -2.720 -4.712 -2.286) 5.901 7.356 ( -2.720 -4.712 2.286) 5.901 7.526 ( -2.813 -4.872 -7.265) 9.189 7.526 ( -2.813 -4.872 7.265) 9.189 7.715 ( 0.967 1.674 -7.417) 7.665 7.715 ( 0.967 1.674 7.417) 7.665 8.432 ( 2.350 4.071 -8.838) 10.010 8.432 ( 2.350 4.071 8.838) 10.010 9.095 ( -2.115 -3.664 -6.274) 7.567 9.095 ( -2.115 -3.664 6.274) 7.567 9.503 ( -1.829 -3.168 -5.548) 6.646 9.503 ( -1.829 -3.168 5.548) 6.646 9.550 ( -0.918 -1.589 -5.434) 5.735 9.550 ( -0.918 -1.589 5.434) 5.735 9.831 ( 0.604 1.047 -8.913) 8.994 9.831 ( 0.604 1.047 8.913) 8.994 10.215 ( 5.291 9.165 -20.803) 23.339 10.215 ( 5.291 9.165 20.803) 23.339 10.338 ( 4.118 7.133 -6.489) 10.485 10.338 ( 4.118 7.133 6.489) 10.485 10.559 ( 6.671 11.555 -9.765) 16.534 10.559 ( 6.671 11.555 9.765) 16.534 11.291 ( -4.441 -7.692 -14.660) 17.140 11.291 ( -4.441 -7.692 14.660) 17.140 11.533 ( -0.268 -0.464 -15.584) 15.593 11.533 ( -0.268 -0.464 15.584) 15.593 12.014 ( -3.698 -6.405 -3.847) 8.337 12.014 ( -3.698 -6.405 3.847) 8.337 12.027 ( -3.871 -6.705 -5.333) 9.401 12.027 ( -3.871 -6.705 5.333) 9.401 12.375 ( 4.013 6.951 -5.518) 9.740 12.375 ( 4.013 6.951 5.518) 9.740 12.617 ( 3.651 6.323 -17.648) 19.099 12.617 ( 3.651 6.323 17.648) 19.099 13.243 ( -2.615 -4.529 -9.233) 10.611 13.243 ( -2.615 -4.529 9.233) 10.611 13.413 ( 0.929 1.608 -9.439) 9.620 13.413 ( 0.929 1.608 9.439) 9.620 14.515 ( 5.256 9.104 -5.035) 11.656 14.515 ( 5.256 9.104 5.035) 11.656 14.730 ( -5.388 -9.332 -2.458) 11.052 14.730 ( -5.388 -9.332 2.458) 11.052 14.822 ( -1.113 -1.927 -1.917) 2.937 14.822 ( -1.113 -1.927 1.917) 2.937 15.623 ( 0.374 0.647 -1.118) 1.345 15.623 ( 0.374 0.647 1.118) 1.345 15.735 ( 1.706 2.955 -3.464) 4.862 15.735 ( 1.706 2.955 3.464) 4.862 17.663 ( 2.411 4.175 -3.908) 6.206 17.663 ( 2.411 4.175 3.908) 6.206 17.685 ( 2.743 4.751 -4.081) 6.837 17.685 ( 2.743 4.751 4.081) 6.837 18.115 ( 1.229 2.129 -2.347) 3.399 18.115 ( 1.229 2.129 2.347) 3.399 18.142 ( 2.212 3.832 -1.690) 4.736 18.142 ( 2.212 3.832 1.690) 4.736 19.227 ( -3.255 -5.638 -3.699) 7.488 19.227 ( -3.255 -5.638 3.699) 7.488 20.308 ( -13.951 -24.163 -21.559) 35.260 20.308 ( -13.951 -24.163 21.559) 35.260 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 10.963 15.095 -19.112) 26.708 1.801 ( 10.963 15.095 19.112) 26.708 2.059 ( 13.780 11.882 -20.024) 27.056 2.059 ( 13.780 11.882 20.024) 27.056 2.767 ( 1.295 1.766 -4.556) 5.055 2.767 ( 1.295 1.766 4.556) 5.055 3.203 ( -0.294 -0.121 -3.349) 3.364 3.203 ( -0.294 -0.121 3.349) 3.364 3.739 ( 11.027 15.121 -13.289) 22.953 3.739 ( 11.027 15.121 13.289) 22.953 3.804 ( 5.607 2.524 -5.224) 8.069 3.804 ( 5.607 2.524 5.224) 8.069 3.986 ( -13.436 -11.541 -6.933) 19.021 3.986 ( -13.436 -11.541 6.933) 19.021 4.055 ( -8.571 -14.355 -6.224) 17.840 4.055 ( -8.571 -14.355 6.224) 17.840 4.601 ( 12.261 14.998 -3.510) 19.687 4.601 ( 12.261 14.998 3.510) 19.687 4.790 ( -5.474 -3.837 -3.671) 7.627 4.790 ( -5.474 -3.837 3.671) 7.627 4.929 ( -6.468 -10.030 -2.322) 12.158 4.929 ( -6.468 -10.030 2.322) 12.158 5.291 ( -6.358 1.148 -9.752) 11.698 5.291 ( -6.358 1.148 9.752) 11.698 5.428 ( 5.051 -1.240 -11.169) 12.320 5.428 ( 5.051 -1.240 11.169) 12.320 6.537 ( -3.000 -0.993 -5.632) 6.458 6.537 ( -3.000 -0.993 5.632) 6.458 7.048 ( -5.998 -2.793 -1.411) 6.765 7.048 ( -5.998 -2.793 1.411) 6.765 7.287 ( -0.037 -5.276 -3.746) 6.471 7.287 ( -0.037 -5.276 3.746) 6.471 7.430 ( -2.687 -4.678 -6.086) 8.132 7.430 ( -2.687 -4.678 6.086) 8.132 7.740 ( 0.624 0.459 -8.005) 8.042 7.740 ( 0.624 0.459 8.005) 8.042 8.553 ( 5.311 7.620 -2.055) 9.513 8.553 ( 5.311 7.620 2.055) 9.513 9.066 ( 0.326 0.930 -3.714) 3.843 9.066 ( 0.326 0.930 3.714) 3.843 9.420 ( -4.743 -0.453 -3.398) 5.852 9.420 ( -4.743 -0.453 3.398) 5.852 9.536 ( 1.385 -3.263 -3.881) 5.256 9.536 ( 1.385 -3.263 3.881) 5.256 9.828 ( -1.999 0.429 -9.415) 9.635 9.828 ( -1.999 0.429 9.415) 9.635 10.318 ( 1.796 -1.988 -18.201) 18.397 10.318 ( 1.796 -1.988 18.201) 18.397 10.483 ( 5.227 5.511 -16.680) 18.328 10.483 ( 5.227 5.511 16.680) 18.328 10.670 ( 0.138 -0.469 -22.502) 22.507 10.670 ( 0.138 -0.469 22.502) 22.507 11.239 ( 1.593 3.281 -9.805) 10.461 11.239 ( 1.593 3.281 9.805) 10.461 11.507 ( -2.170 -0.973 -13.465) 13.674 11.507 ( -2.170 -0.973 13.465) 13.674 11.864 ( -6.278 -6.111 -3.612) 9.476 11.864 ( -6.278 -6.111 3.612) 9.476 11.902 ( -3.405 -6.888 -3.938) 8.634 11.902 ( -3.405 -6.888 3.938) 8.634 12.524 ( 3.705 9.252 -1.395) 10.064 12.524 ( 3.705 9.252 1.395) 10.064 12.743 ( 6.612 3.022 -7.798) 10.661 12.743 ( 6.612 3.022 7.798) 10.661 13.167 ( -2.376 -1.668 -7.741) 8.267 13.167 ( -2.376 -1.668 7.741) 8.267 13.458 ( 2.542 1.914 -8.833) 9.389 13.458 ( 2.542 1.914 8.833) 9.389 14.474 ( -7.095 -8.539 -1.720) 11.234 14.474 ( -7.095 -8.539 1.720) 11.234 14.532 ( -7.654 -8.530 -3.278) 11.920 14.532 ( -7.654 -8.530 3.278) 11.920 14.954 ( 8.555 9.644 -8.551) 15.470 14.954 ( 8.555 9.644 8.551) 15.470 15.609 ( -1.737 -1.218 -2.174) 3.038 15.609 ( -1.737 -1.218 2.174) 3.038 15.781 ( 1.428 0.756 -0.741) 1.777 15.781 ( 1.428 0.756 0.741) 1.777 17.752 ( 2.617 4.760 -4.431) 7.010 17.752 ( 2.617 4.760 4.431) 7.010 17.793 ( 5.273 3.943 -7.364) 9.878 17.793 ( 5.273 3.943 7.364) 9.878 18.156 ( 0.432 3.313 -2.241) 4.023 18.156 ( 0.432 3.313 2.241) 4.023 18.256 ( 6.306 4.934 -1.551) 8.156 18.256 ( 6.306 4.934 1.551) 8.156 19.088 ( -5.900 -7.054 -6.417) 11.214 19.088 ( -5.900 -7.054 6.417) 11.214 19.844 ( -16.180 -18.426 -24.757) 34.845 19.844 ( -16.180 -18.426 24.757) 34.845 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 13.188 15.280 -9.734) 22.409 2.156 ( 13.188 15.280 9.734) 22.409 2.428 ( 17.619 9.906 -15.256) 25.324 2.428 ( 17.619 9.906 15.256) 25.324 2.792 ( -0.425 1.009 -2.518) 2.745 2.792 ( -0.425 1.009 2.518) 2.745 3.175 ( -1.576 -1.563 -3.760) 4.366 3.175 ( -1.576 -1.563 3.760) 4.366 3.557 ( -12.787 -12.679 -5.300) 18.771 3.557 ( -12.787 -12.679 5.300) 18.771 3.656 ( -12.033 -14.783 -6.238) 20.056 3.656 ( -12.033 -14.783 6.238) 20.056 4.014 ( 5.748 4.024 -3.096) 7.669 4.014 ( 5.748 4.024 3.096) 7.669 4.194 ( 14.173 15.202 -5.452) 21.487 4.194 ( 14.173 15.202 5.452) 21.487 4.522 ( -6.672 -5.965 -2.336) 9.250 4.522 ( -6.672 -5.965 2.336) 9.250 4.661 ( -8.889 -8.067 -2.141) 12.193 4.661 ( -8.889 -8.067 2.141) 12.193 5.062 ( -3.021 4.354 -6.982) 8.766 5.062 ( -3.021 4.354 6.982) 8.766 5.271 ( 10.226 10.246 -3.084) 14.801 5.271 ( 10.226 10.246 3.084) 14.801 5.510 ( 6.461 1.849 -9.536) 11.667 5.510 ( 6.461 1.849 9.536) 11.667 6.460 ( -8.375 0.817 -3.398) 9.075 6.460 ( -8.375 0.817 3.398) 9.075 6.931 ( -3.713 -1.290 -2.466) 4.641 6.931 ( -3.713 -1.290 2.466) 4.641 7.212 ( -3.068 -6.300 -5.163) 8.704 7.212 ( -3.068 -6.300 5.163) 8.704 7.377 ( 1.912 -4.610 -6.017) 7.817 7.377 ( 1.912 -4.610 6.017) 7.817 7.746 ( 0.559 -0.818 -8.263) 8.322 7.746 ( 0.559 -0.818 8.263) 8.322 8.742 ( 7.008 9.458 -7.194) 13.796 8.742 ( 7.008 9.458 7.194) 13.796 9.102 ( 0.783 2.546 -4.106) 4.895 9.102 ( 0.783 2.546 4.106) 4.895 9.370 ( -1.719 2.607 -5.446) 6.278 9.370 ( -1.719 2.607 5.446) 6.278 9.531 ( 0.680 -1.054 -5.903) 6.035 9.531 ( 0.680 -1.054 5.903) 6.035 9.777 ( -3.705 -0.443 -8.304) 9.104 9.777 ( -3.705 -0.443 8.304) 9.104 10.208 ( -5.986 -11.858 -16.237) 20.978 10.208 ( -5.986 -11.858 16.237) 20.978 10.591 ( 2.891 2.776 -22.899) 23.248 10.591 ( 2.891 2.776 22.899) 23.248 10.673 ( 1.863 0.791 -30.950) 31.016 10.673 ( 1.863 0.791 30.950) 31.016 11.327 ( 2.183 3.779 -10.231) 11.123 11.327 ( 2.183 3.779 10.231) 11.123 11.449 ( -2.326 -2.440 -4.361) 5.512 11.449 ( -2.326 -2.440 4.361) 5.512 11.719 ( -4.055 -4.476 -7.089) 9.313 11.719 ( -4.055 -4.476 7.089) 9.313 11.787 ( -3.117 -5.397 -4.337) 7.593 11.787 ( -3.117 -5.397 4.337) 7.593 12.652 ( 1.547 8.763 -4.811) 10.116 12.652 ( 1.547 8.763 4.811) 10.116 12.871 ( 3.850 1.061 -7.621) 8.604 12.871 ( 3.850 1.061 7.621) 8.604 13.171 ( 4.282 2.248 -5.762) 7.523 13.171 ( 4.282 2.248 5.762) 7.523 13.536 ( 4.620 2.216 -7.458) 9.048 13.536 ( 4.620 2.216 7.458) 9.048 14.228 ( -10.481 -10.389 -2.736) 15.009 14.228 ( -10.481 -10.389 2.736) 15.009 14.330 ( -7.204 -7.171 -2.860) 10.560 14.330 ( -7.204 -7.171 2.860) 10.560 15.174 ( 7.558 7.128 -8.226) 13.252 15.174 ( 7.558 7.128 8.226) 13.252 15.547 ( -3.688 -2.058 -3.637) 5.573 15.547 ( -3.688 -2.058 3.637) 5.573 15.798 ( 0.939 -0.969 -3.271) 3.538 15.798 ( 0.939 -0.969 3.271) 3.538 17.827 ( 1.440 3.595 -4.958) 6.291 17.827 ( 1.440 3.595 4.958) 6.291 17.929 ( 6.599 3.412 -9.656) 12.183 17.929 ( 6.599 3.412 9.656) 12.183 18.187 ( -0.629 2.775 -1.750) 3.341 18.187 ( -0.629 2.775 1.750) 3.341 18.432 ( 8.083 5.494 -0.713) 9.799 18.432 ( 8.083 5.494 0.713) 9.799 18.921 ( -5.346 -6.092 -9.577) 12.546 18.921 ( -5.346 -6.092 9.577) 12.546 19.439 ( -14.409 -13.181 -19.859) 27.852 19.439 ( -14.409 -13.181 19.859) 27.852 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 10.425 10.473 -4.372) 15.410 2.488 ( 10.425 10.473 4.372) 15.410 2.710 ( -2.932 -0.461 -1.819) 3.481 2.710 ( -2.932 -0.461 1.819) 3.481 2.847 ( 15.473 6.396 -10.444) 19.733 2.847 ( 15.473 6.396 10.444) 19.733 3.141 ( -1.284 -2.830 -3.087) 4.380 3.141 ( -1.284 -2.830 3.087) 4.380 3.246 ( -10.967 -10.915 -6.856) 16.924 3.246 ( -10.967 -10.915 6.856) 16.924 3.355 ( -6.946 -8.170 -6.748) 12.670 3.355 ( -6.946 -8.170 6.748) 12.670 4.170 ( 7.622 3.909 -2.217) 8.848 4.170 ( 7.622 3.909 2.217) 8.848 4.347 ( -6.279 -3.080 -1.295) 7.112 4.347 ( -6.279 -3.080 1.295) 7.112 4.460 ( -2.364 -2.245 -3.345) 4.671 4.460 ( -2.364 -2.245 3.345) 4.671 4.573 ( 7.862 8.263 -3.299) 11.873 4.573 ( 7.862 8.263 3.299) 11.873 4.899 ( -11.245 -1.179 -7.930) 13.810 4.899 ( -11.245 -1.179 7.930) 13.810 5.450 ( 4.671 -3.497 -12.976) 14.227 5.450 ( 4.671 -3.497 12.976) 14.227 5.825 ( 15.877 17.879 -6.208) 24.704 5.825 ( 15.877 17.879 6.208) 24.704 6.225 ( -18.927 -2.078 -5.420) 19.798 6.225 ( -18.927 -2.078 5.420) 19.798 6.938 ( 2.918 2.415 -2.769) 4.692 6.938 ( 2.918 2.415 2.769) 4.692 7.084 ( -4.027 -6.236 -4.673) 8.772 7.084 ( -4.027 -6.236 4.673) 8.772 7.380 ( 3.451 -5.288 -8.082) 10.257 7.380 ( 3.451 -5.288 8.082) 10.257 7.747 ( 0.834 -1.397 -8.865) 9.013 7.747 ( 0.834 -1.397 8.865) 9.013 8.924 ( 3.534 6.944 -10.726) 13.257 8.924 ( 3.534 6.944 10.726) 13.257 9.113 ( -1.573 1.597 -4.180) 4.743 9.113 ( -1.573 1.597 4.180) 4.743 9.412 ( 1.115 4.606 -8.519) 9.748 9.412 ( 1.115 4.606 8.519) 9.748 9.532 ( -1.359 1.564 -11.419) 11.605 9.532 ( -1.359 1.564 11.419) 11.605 9.730 ( -0.357 -0.367 -7.155) 7.173 9.730 ( -0.357 -0.367 7.155) 7.173 9.981 ( -6.045 -8.672 -15.657) 18.892 9.981 ( -6.045 -8.672 15.657) 18.892 10.650 ( 1.928 0.906 -28.875) 28.954 10.650 ( 1.928 0.906 28.875) 28.954 10.709 ( 1.636 -0.939 -35.435) 35.485 10.709 ( 1.636 -0.939 35.435) 35.485 11.333 ( -1.112 -1.734 -4.691) 5.123 11.333 ( -1.112 -1.734 4.691) 5.123 11.424 ( 0.541 -0.164 -16.990) 16.999 11.424 ( 0.541 -0.164 16.990) 16.999 11.661 ( 0.339 -2.049 -7.351) 7.639 11.661 ( 0.339 -2.049 7.351) 7.639 11.704 ( -1.458 -3.313 -7.087) 7.958 11.704 ( -1.458 -3.313 7.087) 7.958 12.754 ( 1.503 6.786 -8.078) 10.656 12.754 ( 1.503 6.786 8.078) 10.656 12.864 ( -4.238 1.395 -9.771) 10.742 12.864 ( -4.238 1.395 9.771) 10.742 13.315 ( 7.069 0.770 -9.267) 11.681 13.315 ( 7.069 0.770 9.267) 11.681 13.655 ( 6.661 2.419 -5.756) 9.129 13.655 ( 6.661 2.419 5.756) 9.129 13.962 ( -8.863 -8.519 -2.169) 12.483 13.962 ( -8.863 -8.519 2.169) 12.483 14.182 ( -3.019 -4.062 -1.647) 5.323 14.182 ( -3.019 -4.062 1.647) 5.323 15.337 ( 5.466 4.697 -6.221) 9.520 15.337 ( 5.466 4.697 6.221) 9.520 15.454 ( -4.923 -2.195 -5.226) 7.508 15.454 ( -4.923 -2.195 5.226) 7.508 15.799 ( 0.934 -1.663 -4.424) 4.818 15.799 ( 0.934 -1.663 4.424) 4.818 17.866 ( -0.114 2.190 -5.460) 5.884 17.866 ( -0.114 2.190 5.460) 5.884 18.066 ( 5.401 3.389 -7.749) 10.035 18.066 ( 5.401 3.389 7.749) 10.035 18.173 ( -2.492 -0.798 -5.201) 5.823 18.173 ( -2.492 -0.798 5.201) 5.823 18.568 ( 2.022 2.060 -5.336) 6.067 18.568 ( 2.022 2.060 5.336) 6.067 18.877 ( 5.134 1.208 -9.500) 10.866 18.877 ( 5.134 1.208 9.500) 10.866 19.115 ( -11.254 -9.336 -13.019) 19.579 19.115 ( -11.254 -9.336 13.019) 19.579 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 10.560 18.290 -11.930) 24.256 2.132 ( 10.560 18.290 11.930) 24.256 2.310 ( 8.345 14.454 -17.021) 23.838 2.310 ( 8.345 14.454 17.021) 23.838 2.801 ( 0.885 1.533 -2.863) 3.366 2.801 ( 0.885 1.533 2.863) 3.366 3.182 ( -1.206 -2.089 -3.659) 4.383 3.182 ( -1.206 -2.089 3.659) 4.383 3.607 ( -9.847 -17.056 -5.220) 20.375 3.607 ( -9.847 -17.056 5.220) 20.375 3.677 ( -9.152 -15.851 -7.614) 19.824 3.677 ( -9.152 -15.851 7.614) 19.824 3.983 ( 2.667 4.619 -3.671) 6.475 3.983 ( 2.667 4.619 3.671) 6.475 4.149 ( 11.209 19.415 -7.324) 23.585 4.149 ( 11.209 19.415 7.324) 23.585 4.550 ( -4.515 -7.819 -4.165) 9.944 4.550 ( -4.515 -7.819 4.165) 9.944 4.702 ( -6.823 -11.818 -3.437) 14.072 4.702 ( -6.823 -11.818 3.437) 14.072 5.091 ( 10.495 18.178 -2.622) 21.154 5.091 ( 10.495 18.178 2.622) 21.154 5.278 ( -2.376 -4.115 -13.098) 13.933 5.278 ( -2.376 -4.115 13.098) 13.933 5.439 ( 3.906 6.766 -5.980) 9.839 5.439 ( 3.906 6.766 5.980) 9.839 6.544 ( 0.643 1.115 -4.769) 4.940 6.544 ( 0.643 1.115 4.769) 4.940 6.977 ( -3.111 -5.388 -5.009) 7.987 6.977 ( -3.111 -5.388 5.009) 7.987 7.182 ( -2.787 -4.827 -5.903) 8.119 7.182 ( -2.787 -4.827 5.903) 8.119 7.334 ( -2.854 -4.944 -7.465) 9.398 7.334 ( -2.854 -4.944 7.465) 9.398 7.736 ( -0.378 -0.655 -8.962) 8.994 7.736 ( -0.378 -0.655 8.962) 8.994 8.733 ( 6.154 10.660 -5.619) 13.531 8.733 ( 6.154 10.660 5.619) 13.531 9.110 ( 1.746 3.024 -5.350) 6.388 9.110 ( 1.746 3.024 5.350) 6.388 9.420 ( 0.353 0.611 -6.115) 6.155 9.420 ( 0.353 0.611 6.115) 6.155 9.499 ( 0.024 0.042 -4.883) 4.883 9.499 ( 0.024 0.042 4.883) 4.883 9.819 ( -0.932 -1.614 -9.243) 9.429 9.819 ( -0.932 -1.614 9.243) 9.429 10.179 ( -6.271 -10.863 -13.814) 18.659 10.179 ( -6.271 -10.863 13.814) 18.659 10.581 ( 2.455 4.253 -23.905) 24.404 10.581 ( 2.455 4.253 23.905) 24.404 10.661 ( 0.057 0.099 -30.042) 30.042 10.661 ( 0.057 0.099 30.042) 30.042 11.332 ( 2.807 4.862 -13.628) 14.739 11.332 ( 2.807 4.862 13.628) 14.739 11.457 ( -2.547 -4.411 -11.292) 12.388 11.457 ( -2.547 -4.411 11.292) 12.388 11.742 ( -3.630 -6.287 -8.839) 11.438 11.742 ( -3.630 -6.287 8.839) 11.438 11.775 ( -3.331 -5.770 -5.146) 8.418 11.775 ( -3.331 -5.770 5.146) 8.418 12.726 ( 5.938 10.284 -8.952) 14.872 12.726 ( 5.938 10.284 8.952) 14.872 12.795 ( 2.040 3.533 -6.169) 7.395 12.795 ( 2.040 3.533 6.169) 7.395 13.155 ( 0.291 0.504 -8.150) 8.171 13.155 ( 0.291 0.504 8.150) 8.171 13.504 ( 1.776 3.076 -8.563) 9.270 13.504 ( 1.776 3.076 8.563) 9.270 14.265 ( -7.306 -12.655 -2.069) 14.758 14.265 ( -7.306 -12.655 2.069) 14.758 14.357 ( -5.422 -9.392 -2.804) 11.201 14.357 ( -5.422 -9.392 2.804) 11.201 15.144 ( 5.468 9.470 -9.120) 14.240 15.144 ( 5.468 9.470 9.120) 14.240 15.571 ( -1.618 -2.803 -4.278) 5.364 15.571 ( -1.618 -2.803 4.278) 5.364 15.781 ( -0.326 -0.565 -2.405) 2.491 15.781 ( -0.326 -0.565 2.405) 2.491 17.855 ( 2.993 5.184 -7.837) 9.862 17.855 ( 2.993 5.184 7.837) 9.862 17.865 ( 2.363 4.092 -8.666) 9.870 17.865 ( 2.363 4.092 8.666) 9.870 18.216 ( 1.237 2.143 -2.397) 3.445 18.216 ( 1.237 2.143 2.397) 3.445 18.381 ( 4.775 8.271 -0.709) 9.576 18.381 ( 4.775 8.271 0.709) 9.576 18.937 ( -4.670 -8.088 -9.214) 13.120 18.937 ( -4.670 -8.088 9.214) 13.120 19.498 ( -9.963 -17.257 -20.392) 28.511 19.498 ( -9.963 -17.257 20.392) 28.511 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 8.206 14.719 -6.410) 18.030 2.453 ( 8.206 14.719 6.410) 18.030 2.604 ( 12.854 8.420 -12.324) 19.698 2.604 ( 12.854 8.420 12.324) 19.698 2.815 ( -0.993 1.350 -1.640) 2.345 2.815 ( -0.993 1.350 1.640) 2.345 3.133 ( -1.285 -2.894 -1.765) 3.625 3.133 ( -1.285 -2.894 1.765) 3.625 3.284 ( -9.113 -14.525 -8.102) 18.964 3.284 ( -9.113 -14.525 8.102) 18.964 3.391 ( -8.392 -12.230 -8.513) 17.102 3.391 ( -8.392 -12.230 8.513) 17.102 4.098 ( 5.153 4.447 -3.035) 7.453 4.098 ( 5.153 4.447 3.035) 7.453 4.401 ( -2.491 -1.507 -3.178) 4.310 4.401 ( -2.491 -1.507 3.178) 4.310 4.485 ( -4.698 -5.175 -3.115) 7.652 4.485 ( -4.698 -5.175 3.115) 7.652 4.533 ( 7.772 10.413 -1.605) 13.092 4.533 ( 7.772 10.413 1.605) 13.092 5.098 ( -12.151 0.465 -12.083) 17.142 5.098 ( -12.151 0.465 12.083) 17.142 5.303 ( 6.995 -6.058 -12.429) 15.495 5.303 ( 6.995 -6.058 12.429) 15.495 5.768 ( 14.358 22.031 -8.768) 27.720 5.768 ( 14.358 22.031 8.768) 27.720 6.506 ( -11.344 3.336 -7.165) 13.825 6.506 ( -11.344 3.336 7.165) 13.825 6.884 ( 1.544 -5.582 -6.866) 8.982 6.884 ( 1.544 -5.582 6.866) 8.982 7.093 ( -3.348 -4.555 -6.531) 8.637 7.093 ( -3.348 -4.555 6.531) 8.637 7.266 ( 1.574 -6.407 -8.371) 10.659 7.266 ( 1.574 -6.407 8.371) 10.659 7.723 ( 0.116 -1.365 -8.675) 8.783 7.723 ( 0.116 -1.365 8.675) 8.783 8.933 ( 5.193 9.712 -8.443) 13.877 8.933 ( 5.193 9.712 8.443) 13.877 9.151 ( -0.315 1.967 -5.567) 5.913 9.151 ( -0.315 1.967 5.567) 5.913 9.459 ( 0.166 6.483 -8.093) 10.371 9.459 ( 0.166 6.483 8.093) 10.371 9.536 ( 2.984 1.677 -6.180) 7.065 9.536 ( 2.984 1.677 6.180) 7.065 9.764 ( -3.804 -1.159 -6.875) 7.942 9.764 ( -3.804 -1.159 6.875) 7.942 9.967 ( -4.762 -12.077 -15.318) 20.079 9.967 ( -4.762 -12.077 15.318) 20.079 10.636 ( 0.958 1.614 -26.895) 26.961 10.636 ( 0.958 1.614 26.895) 26.961 10.673 ( 1.364 -0.692 -31.626) 31.663 10.673 ( 1.364 -0.692 31.626) 31.663 11.346 ( -3.496 -3.678 -8.317) 9.743 11.346 ( -3.496 -3.678 8.317) 9.743 11.407 ( 1.640 0.338 -17.939) 18.017 11.407 ( 1.640 0.338 17.939) 18.017 11.646 ( -1.929 -3.046 -11.215) 11.780 11.646 ( -1.929 -3.046 11.215) 11.780 11.685 ( -1.366 -5.055 -7.488) 9.137 11.685 ( -1.366 -5.055 7.488) 9.137 12.831 ( -0.996 8.480 -7.717) 11.509 12.831 ( -0.996 8.480 7.717) 11.509 12.915 ( 2.766 4.436 -9.333) 10.697 12.915 ( 2.766 4.436 9.333) 10.697 13.206 ( 5.276 1.111 -7.956) 9.611 13.206 ( 5.276 1.111 7.956) 9.611 13.580 ( 4.349 2.477 -7.266) 8.823 13.580 ( 4.349 2.477 7.266) 8.823 14.011 ( -8.469 -11.915 -1.578) 14.703 14.011 ( -8.469 -11.915 1.578) 14.703 14.193 ( -4.283 -6.656 -1.551) 8.065 14.193 ( -4.283 -6.656 1.551) 8.065 15.303 ( 4.675 6.141 -8.524) 11.499 15.303 ( 4.675 6.141 8.524) 11.499 15.506 ( -3.258 -2.164 -5.501) 6.750 15.506 ( -3.258 -2.164 5.501) 6.750 15.767 ( 0.305 -2.054 -3.169) 3.788 15.767 ( 0.305 -2.054 3.169) 3.788 17.907 ( -0.891 4.816 -8.631) 9.923 17.907 ( -0.891 4.816 8.631) 9.923 17.986 ( 6.740 2.476 -9.510) 11.916 17.986 ( 6.740 2.476 9.510) 11.916 18.216 ( -2.481 -0.786 -3.447) 4.319 18.216 ( -2.481 -0.786 3.447) 4.319 18.551 ( 5.119 7.304 -2.940) 9.391 18.551 ( 5.119 7.304 2.940) 9.391 18.824 ( -0.280 -3.419 -9.465) 10.067 18.824 ( -0.280 -3.419 9.465) 10.067 19.190 ( -9.931 -12.770 -13.496) 21.067 19.190 ( -9.931 -12.770 13.496) 21.067 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -2.224 3.851 -3.548) 5.689 2.637 ( -2.224 3.851 3.548) 5.689 2.725 ( -1.581 2.739 -3.057) 4.399 2.725 ( -1.581 2.739 3.057) 4.399 2.901 ( 2.451 -4.244 -10.020) 11.154 2.901 ( 2.451 -4.244 10.020) 11.154 3.013 ( 0.787 -1.363 -8.441) 8.587 3.013 ( 0.787 -1.363 8.441) 8.587 3.169 ( 0.814 -1.410 -1.530) 2.234 3.169 ( 0.814 -1.410 1.530) 2.234 3.220 ( 3.219 -5.576 -9.741) 11.677 3.220 ( 3.219 -5.576 9.741) 11.677 4.200 ( 0.896 -1.552 -2.649) 3.198 4.200 ( 0.896 -1.552 2.649) 3.198 4.314 ( -0.751 1.302 -2.987) 3.344 4.314 ( -0.751 1.302 2.987) 3.344 4.408 ( 1.432 -2.480 -3.640) 4.631 4.408 ( 1.432 -2.480 3.640) 4.631 4.754 ( -4.119 7.134 -10.382) 13.253 4.754 ( -4.119 7.134 10.382) 13.253 4.925 ( -2.947 5.104 -8.127) 10.039 4.925 ( -2.947 5.104 8.127) 10.039 5.328 ( 4.893 -8.475 -13.614) 16.766 5.328 ( 4.893 -8.475 13.614) 16.766 6.161 ( -5.049 8.746 -11.335) 15.181 6.161 ( -5.049 8.746 11.335) 15.181 6.257 ( -6.954 12.045 -10.147) 17.216 6.257 ( -6.954 12.045 10.147) 17.216 6.910 ( 5.894 -10.209 -8.954) 14.803 6.910 ( 5.894 -10.209 8.954) 14.803 7.014 ( -1.772 3.069 -6.260) 7.194 7.014 ( -1.772 3.069 6.260) 7.194 7.252 ( 4.119 -7.134 -9.506) 12.579 7.252 ( 4.119 -7.134 9.506) 12.579 7.717 ( 0.798 -1.382 -8.537) 8.685 7.717 ( 0.798 -1.382 8.537) 8.685 9.040 ( -2.671 4.626 -9.156) 10.600 9.040 ( -2.671 4.626 9.156) 10.600 9.146 ( -0.872 1.511 -6.551) 6.779 9.146 ( -0.872 1.511 6.551) 6.779 9.509 ( -2.843 4.924 -7.205) 9.178 9.509 ( -2.843 4.924 7.205) 9.178 9.588 ( -2.066 3.578 -12.216) 12.896 9.588 ( -2.066 3.578 12.216) 12.896 9.712 ( 0.769 -1.332 -7.373) 7.532 9.712 ( 0.769 -1.332 7.373) 7.532 9.847 ( 3.045 -5.273 -12.618) 14.011 9.847 ( 3.045 -5.273 12.618) 14.011 10.653 ( 0.187 -0.325 -30.787) 30.789 10.653 ( 0.187 -0.325 30.787) 30.789 10.680 ( 0.962 -1.666 -34.863) 34.916 10.680 ( 0.962 -1.666 34.863) 34.916 11.290 ( 1.261 -2.184 -9.845) 10.162 11.290 ( 1.261 -2.184 9.845) 10.162 11.422 ( -0.019 0.033 -21.848) 21.848 11.422 ( -0.019 0.033 21.848) 21.848 11.622 ( 1.091 -1.890 -8.724) 8.993 11.622 ( 1.091 -1.890 8.724) 8.993 11.642 ( 1.624 -2.812 -11.652) 12.096 11.642 ( 1.624 -2.812 11.652) 12.096 12.874 ( -3.233 5.599 -10.434) 12.275 12.874 ( -3.233 5.599 10.434) 12.275 12.942 ( -3.242 5.615 -10.473) 12.318 12.942 ( -3.242 5.615 10.473) 12.318 13.281 ( 2.195 -3.802 -8.609) 9.663 13.281 ( 2.195 -3.802 8.609) 9.663 13.672 ( 0.730 -1.264 -5.755) 5.938 13.672 ( 0.730 -1.264 5.755) 5.938 13.828 ( 2.526 -4.374 -1.859) 5.382 13.828 ( 2.526 -4.374 1.859) 5.382 14.119 ( 1.338 -2.317 -1.041) 2.871 14.119 ( 1.338 -2.317 1.041) 2.871 15.409 ( -0.343 0.595 -10.540) 10.562 15.409 ( -0.343 0.595 10.540) 10.562 15.430 ( -0.989 1.713 -4.029) 4.488 15.430 ( -0.989 1.713 4.029) 4.488 15.758 ( 1.313 -2.274 -3.355) 4.261 15.758 ( 1.313 -2.274 3.355) 4.261 17.923 ( -2.234 3.869 -8.951) 10.004 17.923 ( -2.234 3.869 8.951) 10.004 18.113 ( 1.387 -2.402 -10.534) 10.893 18.113 ( 1.387 -2.402 10.534) 10.893 18.130 ( -0.091 0.158 -5.808) 5.811 18.130 ( -0.091 0.158 5.808) 5.811 18.624 ( -2.564 4.441 -5.150) 7.268 18.624 ( -2.564 4.441 5.150) 7.268 18.901 ( 1.245 -2.157 -8.730) 9.078 18.901 ( 1.245 -2.157 8.730) 9.078 18.956 ( 2.548 -4.413 -9.760) 11.010 18.956 ( 2.548 -4.413 9.760) 11.010 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 4.308 7.461 -4.073) 9.530 2.676 ( 4.308 7.461 4.073) 9.530 2.734 ( 2.198 3.807 -5.986) 7.427 2.734 ( 2.198 3.807 5.986) 7.427 2.841 ( 0.721 1.248 -7.410) 7.549 2.841 ( 0.721 1.248 7.410) 7.549 3.070 ( -3.225 -5.586 -10.267) 12.125 3.070 ( -3.225 -5.586 10.267) 12.125 3.091 ( -0.483 -0.837 -3.429) 3.562 3.091 ( -0.483 -0.837 3.429) 3.562 3.188 ( -4.940 -8.556 -6.326) 11.731 3.188 ( -4.940 -8.556 6.326) 11.731 4.172 ( 1.627 2.818 -3.025) 4.443 4.172 ( 1.627 2.818 3.025) 4.443 4.359 ( -2.233 -3.867 -3.331) 5.571 4.359 ( -2.233 -3.867 3.331) 5.571 4.362 ( -1.029 -1.783 -3.585) 4.134 4.362 ( -1.029 -1.783 3.585) 4.134 4.808 ( 7.832 13.565 -10.185) 18.683 4.808 ( 7.832 13.565 10.185) 18.683 5.050 ( -4.269 -7.394 -14.083) 16.469 5.050 ( -4.269 -7.394 14.083) 16.469 5.187 ( -1.775 -3.074 -11.237) 11.784 5.187 ( -1.775 -3.074 11.237) 11.784 6.195 ( 11.674 20.219 -12.966) 26.706 6.195 ( 11.674 20.219 12.966) 26.706 6.539 ( -1.695 -2.936 -11.503) 11.992 6.539 ( -1.695 -2.936 11.503) 11.992 6.699 ( -5.575 -9.657 -11.762) 16.207 6.699 ( -5.575 -9.657 11.762) 16.207 7.071 ( 0.672 1.165 -7.836) 7.950 7.071 ( 0.672 1.165 7.836) 7.950 7.158 ( -2.453 -4.249 -9.224) 10.448 7.158 ( -2.453 -4.249 9.224) 10.448 7.703 ( -0.334 -0.579 -8.045) 8.073 7.703 ( -0.334 -0.579 8.045) 8.073 9.086 ( 3.289 5.697 -8.481) 10.733 9.086 ( 3.289 5.697 8.481) 10.733 9.162 ( -0.565 -0.978 -7.235) 7.323 9.162 ( -0.565 -0.978 7.235) 7.323 9.579 ( 1.707 2.957 -6.145) 7.030 9.579 ( 1.707 2.957 6.145) 7.030 9.605 ( 4.102 7.105 -10.010) 12.942 9.605 ( 4.102 7.105 10.010) 12.942 9.726 ( -1.723 -2.984 -4.417) 5.602 9.726 ( -1.723 -2.984 4.417) 5.602 9.773 ( -4.351 -7.536 -14.052) 16.528 9.773 ( -4.351 -7.536 14.052) 16.528 10.651 ( 0.094 0.164 -31.770) 31.771 10.651 ( 0.094 0.164 31.770) 31.771 10.659 ( -0.267 -0.463 -33.444) 33.448 10.659 ( -0.267 -0.463 33.444) 33.448 11.267 ( -1.603 -2.776 -11.891) 12.315 11.267 ( -1.603 -2.776 11.891) 12.315 11.423 ( 0.359 0.622 -24.272) 24.282 11.423 ( 0.359 0.622 24.272) 24.282 11.603 ( -0.763 -1.322 -13.100) 13.189 11.603 ( -0.763 -1.322 13.100) 13.189 11.610 ( -1.325 -2.295 -10.278) 10.615 11.610 ( -1.325 -2.295 10.278) 10.615 12.948 ( 2.544 4.407 -11.011) 12.130 12.948 ( 2.544 4.407 11.011) 12.130 13.002 ( 1.027 1.778 -13.626) 13.780 13.002 ( 1.027 1.778 13.626) 13.780 13.226 ( 0.787 1.362 -11.597) 11.703 13.226 ( 0.787 1.362 11.597) 11.703 13.641 ( 2.489 4.310 -6.258) 7.996 13.641 ( 2.489 4.310 6.258) 7.996 13.796 ( -5.572 -9.652 -2.892) 11.514 13.796 ( -5.572 -9.652 2.892) 11.514 14.097 ( -1.635 -2.832 -1.680) 3.676 14.097 ( -1.635 -2.832 1.680) 3.676 15.402 ( 2.293 3.972 -8.711) 9.845 15.402 ( 2.293 3.972 8.711) 9.845 15.464 ( -1.322 -2.289 -7.138) 7.612 15.464 ( -1.322 -2.289 7.138) 7.612 15.732 ( -0.687 -1.189 -2.363) 2.733 15.732 ( -0.687 -1.189 2.363) 2.733 18.001 ( 1.880 3.256 -10.935) 11.563 18.001 ( 1.880 3.256 10.935) 11.563 18.028 ( 1.962 3.399 -9.835) 10.589 18.028 ( 1.962 3.399 9.835) 10.589 18.149 ( -3.065 -5.309 -7.319) 9.547 18.149 ( -3.065 -5.309 7.319) 9.547 18.710 ( 4.685 8.114 -5.193) 10.713 18.710 ( 4.685 8.114 5.193) 10.713 18.800 ( 0.834 1.445 -7.357) 7.544 18.800 ( 0.834 1.445 7.357) 7.544 18.954 ( -6.740 -11.673 -7.855) 15.601 18.954 ( -6.740 -11.673 7.855) 15.601 =================== 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 3/36000 10.0 5970.712 5970.712 2504.248 0.000 -0.000 -0.000 3/36000 20.0 2508.540 2508.540 2213.888 0.000 -0.000 -0.000 3/36000 30.0 901.354 901.354 950.010 0.000 -0.000 -0.000 3/36000 40.0 427.336 427.336 477.397 -0.000 -0.000 -0.000 3/36000 50.0 248.678 248.678 284.070 -0.000 -0.000 -0.000 3/36000 60.0 163.523 163.523 188.744 -0.000 -0.000 -0.000 3/36000 70.0 116.301 116.301 134.994 -0.000 -0.000 -0.000 3/36000 80.0 87.449 87.449 101.808 -0.000 -0.000 -0.000 3/36000 90.0 68.591 68.591 79.960 -0.000 -0.000 -0.000 3/36000 100.0 55.619 55.619 64.859 -0.000 -0.000 -0.000 3/36000 110.0 46.327 46.327 54.009 -0.000 -0.000 -0.000 3/36000 120.0 39.441 39.441 45.956 -0.000 -0.000 -0.000 3/36000 130.0 34.193 34.193 39.813 -0.000 -0.000 -0.000 3/36000 140.0 30.094 30.094 35.014 -0.000 -0.000 -0.000 3/36000 150.0 26.824 26.824 31.187 -0.000 -0.000 -0.000 3/36000 160.0 24.169 24.169 28.080 -0.000 -0.000 -0.000 3/36000 170.0 21.977 21.977 25.516 -0.000 -0.000 -0.000 3/36000 180.0 20.142 20.142 23.372 -0.000 -0.000 -0.000 3/36000 190.0 18.587 18.587 21.555 -0.000 -0.000 -0.000 3/36000 200.0 17.254 17.254 19.999 -0.000 -0.000 -0.000 3/36000 210.0 16.100 16.100 18.653 -0.000 -0.000 -0.000 3/36000 220.0 15.093 15.093 17.479 -0.000 -0.000 -0.000 3/36000 230.0 14.206 14.206 16.445 -0.000 -0.000 -0.000 3/36000 240.0 13.419 13.419 15.530 -0.000 -0.000 -0.000 3/36000 250.0 12.717 12.717 14.713 -0.000 -0.000 -0.000 3/36000 260.0 12.087 12.087 13.980 -0.000 -0.000 -0.000 3/36000 270.0 11.518 11.518 13.318 -0.000 -0.000 -0.000 3/36000 280.0 11.002 11.002 12.719 -0.000 -0.000 -0.000 3/36000 290.0 10.532 10.532 12.173 -0.000 -0.000 -0.000 3/36000 300.0 10.101 10.101 11.673 -0.000 -0.000 -0.000 3/36000 310.0 9.706 9.706 11.214 -0.000 -0.000 -0.000 3/36000 320.0 9.342 9.342 10.792 -0.000 -0.000 -0.000 3/36000 330.0 9.005 9.005 10.401 -0.000 -0.000 -0.000 3/36000 340.0 8.692 8.692 10.038 -0.000 -0.000 -0.000 3/36000 350.0 8.401 8.401 9.701 -0.000 -0.000 -0.000 3/36000 360.0 8.130 8.130 9.387 -0.000 -0.000 -0.000 3/36000 370.0 7.876 7.876 9.093 -0.000 -0.000 -0.000 3/36000 380.0 7.638 7.638 8.818 -0.000 -0.000 -0.000 3/36000 390.0 7.415 7.415 8.559 -0.000 -0.000 -0.000 3/36000 400.0 7.205 7.205 8.316 -0.000 -0.000 -0.000 3/36000 410.0 7.007 7.007 8.087 -0.000 -0.000 -0.000 3/36000 420.0 6.819 6.819 7.870 -0.000 -0.000 -0.000 3/36000 430.0 6.642 6.642 7.665 -0.000 -0.000 -0.000 3/36000 440.0 6.475 6.475 7.471 -0.000 -0.000 -0.000 3/36000 450.0 6.315 6.315 7.287 -0.000 -0.000 -0.000 3/36000 460.0 6.164 6.164 7.112 -0.000 -0.000 -0.000 3/36000 470.0 6.020 6.020 6.945 -0.000 -0.000 -0.000 3/36000 480.0 5.883 5.883 6.787 -0.000 -0.000 -0.000 3/36000 490.0 5.752 5.752 6.635 -0.000 -0.000 -0.000 3/36000 500.0 5.627 5.627 6.491 -0.000 -0.000 -0.000 3/36000 510.0 5.507 5.507 6.353 -0.000 -0.000 -0.000 3/36000 520.0 5.392 5.392 6.220 -0.000 -0.000 -0.000 3/36000 530.0 5.283 5.283 6.094 -0.000 -0.000 -0.000 3/36000 540.0 5.178 5.178 5.972 -0.000 -0.000 -0.000 3/36000 550.0 5.077 5.077 5.856 -0.000 -0.000 -0.000 3/36000 560.0 4.980 4.980 5.743 -0.000 -0.000 -0.000 3/36000 570.0 4.886 4.886 5.636 -0.000 -0.000 -0.000 3/36000 580.0 4.797 4.797 5.532 -0.000 -0.000 -0.000 3/36000 590.0 4.710 4.710 5.432 -0.000 -0.000 -0.000 3/36000 600.0 4.627 4.627 5.336 -0.000 -0.000 -0.000 3/36000 610.0 4.547 4.547 5.243 -0.000 -0.000 -0.000 3/36000 620.0 4.469 4.469 5.154 -0.000 -0.000 -0.000 3/36000 630.0 4.394 4.394 5.067 -0.000 -0.000 -0.000 3/36000 640.0 4.322 4.322 4.984 -0.000 -0.000 -0.000 3/36000 650.0 4.252 4.252 4.903 -0.000 -0.000 -0.000 3/36000 660.0 4.184 4.184 4.825 -0.000 -0.000 -0.000 3/36000 670.0 4.119 4.119 4.749 -0.000 -0.000 -0.000 3/36000 680.0 4.055 4.055 4.676 -0.000 -0.000 -0.000 3/36000 690.0 3.994 3.994 4.605 -0.000 -0.000 -0.000 3/36000 700.0 3.934 3.934 4.536 -0.000 -0.000 -0.000 3/36000 710.0 3.876 3.876 4.470 -0.000 -0.000 -0.000 3/36000 720.0 3.820 3.820 4.405 -0.000 -0.000 -0.000 3/36000 730.0 3.766 3.766 4.342 -0.000 -0.000 -0.000 3/36000 740.0 3.713 3.713 4.281 -0.000 -0.000 -0.000 3/36000 750.0 3.661 3.661 4.222 -0.000 -0.000 -0.000 3/36000 760.0 3.611 3.611 4.164 -0.000 -0.000 -0.000 3/36000 770.0 3.563 3.563 4.108 -0.000 -0.000 -0.000 3/36000 780.0 3.515 3.515 4.053 -0.000 -0.000 -0.000 3/36000 790.0 3.469 3.469 4.000 -0.000 -0.000 -0.000 3/36000 800.0 3.424 3.424 3.948 -0.000 -0.000 -0.000 3/36000 810.0 3.381 3.381 3.898 -0.000 -0.000 -0.000 3/36000 820.0 3.338 3.338 3.849 -0.000 -0.000 -0.000 3/36000 830.0 3.296 3.296 3.801 -0.000 -0.000 -0.000 3/36000 840.0 3.256 3.256 3.754 -0.000 -0.000 -0.000 3/36000 850.0 3.217 3.217 3.709 -0.000 -0.000 -0.000 3/36000 860.0 3.178 3.178 3.664 -0.000 -0.000 -0.000 3/36000 870.0 3.140 3.140 3.621 -0.000 -0.000 -0.000 3/36000 880.0 3.104 3.104 3.579 -0.000 -0.000 -0.000 3/36000 890.0 3.068 3.068 3.537 -0.000 -0.000 -0.000 3/36000 900.0 3.033 3.033 3.497 -0.000 -0.000 -0.000 3/36000 910.0 2.999 2.999 3.457 -0.000 -0.000 -0.000 3/36000 920.0 2.965 2.965 3.419 -0.000 -0.000 -0.000 3/36000 930.0 2.933 2.933 3.381 -0.000 -0.000 -0.000 3/36000 940.0 2.901 2.901 3.344 -0.000 -0.000 -0.000 3/36000 950.0 2.869 2.869 3.308 -0.000 -0.000 -0.000 3/36000 960.0 2.839 2.839 3.273 -0.000 -0.000 -0.000 3/36000 970.0 2.809 2.809 3.238 -0.000 -0.000 -0.000 3/36000 980.0 2.779 2.779 3.205 -0.000 -0.000 -0.000 3/36000 990.0 2.751 2.751 3.171 -0.000 -0.000 -0.000 3/36000 1000.0 2.723 2.723 3.139 -0.000 -0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:27:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|