----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.625978140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.625978140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859520780000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *3 O 0.64053973347935 0.14053973347935 0.25368540425228 15.999 4 O 0.35946026652065 0.85946026652065 0.25368540425228 15.999 5 O 0.14053973347935 0.35946026652065 0.25368540425228 15.999 6 O 0.85946026652065 0.64053973347935 0.25368540425228 15.999 7 O 0.64053973347935 0.14053973347935 0.74631459574772 15.999 8 O 0.85946026652065 0.64053973347935 0.74631459574772 15.999 9 O 0.35946026652065 0.85946026652065 0.74631459574772 15.999 10 O 0.14053973347935 0.35946026652065 0.74631459574772 15.999 *11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 *13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *15 Sm 0.17280651704524 0.67280651704524 0.50000000000000 150.360 16 Sm 0.32719348295476 0.17280651704524 0.50000000000000 150.360 17 Sm 0.67280651704524 0.82719348295476 0.50000000000000 150.360 18 Sm 0.82719348295476 0.32719348295476 0.50000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.625978140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.625978140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859520780000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 2 *3 O 0.64053973347935 0.14053973347935 0.25368540425228 15.999 > 3 4 O 0.35946026652065 0.85946026652065 0.25368540425228 15.999 > 4 5 O 0.14053973347935 0.35946026652065 0.25368540425228 15.999 > 5 6 O 0.85946026652065 0.64053973347935 0.25368540425228 15.999 > 6 7 O 0.64053973347935 0.14053973347935 0.74631459574772 15.999 > 7 8 O 0.85946026652065 0.64053973347935 0.74631459574772 15.999 > 8 9 O 0.35946026652065 0.85946026652065 0.74631459574772 15.999 > 9 10 O 0.14053973347935 0.35946026652065 0.74631459574772 15.999 > 10 *11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 11 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 12 *13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 13 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 14 *15 Sm 0.17280651704524 0.67280651704524 0.50000000000000 150.360 > 15 16 Sm 0.32719348295476 0.17280651704524 0.50000000000000 150.360 > 16 17 Sm 0.67280651704524 0.82719348295476 0.50000000000000 150.360 > 17 18 Sm 0.82719348295476 0.32719348295476 0.50000000000000 150.360 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.251956280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.251956280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719041560000001 Atomic positions (fractional): *1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 2 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 2 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 2 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 2 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 2 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 2 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 2 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 2 *17 O 0.32026986673968 0.07026986673968 0.12684270212614 15.999 > 3 18 O 0.82026986673968 0.07026986673968 0.12684270212614 15.999 > 3 19 O 0.32026986673968 0.57026986673968 0.12684270212614 15.999 > 3 20 O 0.82026986673968 0.57026986673968 0.12684270212614 15.999 > 3 21 O 0.32026986673968 0.07026986673968 0.62684270212614 15.999 > 3 22 O 0.82026986673968 0.07026986673968 0.62684270212614 15.999 > 3 23 O 0.32026986673968 0.57026986673968 0.62684270212614 15.999 > 3 24 O 0.82026986673968 0.57026986673968 0.62684270212614 15.999 > 3 25 O 0.17973013326032 0.42973013326032 0.12684270212614 15.999 > 4 26 O 0.67973013326032 0.42973013326032 0.12684270212614 15.999 > 4 27 O 0.17973013326032 0.92973013326032 0.12684270212614 15.999 > 4 28 O 0.67973013326032 0.92973013326032 0.12684270212614 15.999 > 4 29 O 0.17973013326032 0.42973013326032 0.62684270212614 15.999 > 4 30 O 0.67973013326032 0.42973013326032 0.62684270212614 15.999 > 4 31 O 0.17973013326032 0.92973013326032 0.62684270212614 15.999 > 4 32 O 0.67973013326032 0.92973013326032 0.62684270212614 15.999 > 4 33 O 0.07026986673968 0.17973013326032 0.12684270212614 15.999 > 5 34 O 0.57026986673968 0.17973013326032 0.12684270212614 15.999 > 5 35 O 0.07026986673968 0.67973013326032 0.12684270212614 15.999 > 5 36 O 0.57026986673968 0.67973013326032 0.12684270212614 15.999 > 5 37 O 0.07026986673968 0.17973013326032 0.62684270212614 15.999 > 5 38 O 0.57026986673968 0.17973013326032 0.62684270212614 15.999 > 5 39 O 0.07026986673968 0.67973013326032 0.62684270212614 15.999 > 5 40 O 0.57026986673968 0.67973013326032 0.62684270212614 15.999 > 5 41 O 0.42973013326032 0.32026986673968 0.12684270212614 15.999 > 6 42 O 0.92973013326032 0.32026986673968 0.12684270212614 15.999 > 6 43 O 0.42973013326032 0.82026986673968 0.12684270212614 15.999 > 6 44 O 0.92973013326032 0.82026986673968 0.12684270212614 15.999 > 6 45 O 0.42973013326032 0.32026986673968 0.62684270212614 15.999 > 6 46 O 0.92973013326032 0.32026986673968 0.62684270212614 15.999 > 6 47 O 0.42973013326032 0.82026986673968 0.62684270212614 15.999 > 6 48 O 0.92973013326032 0.82026986673968 0.62684270212614 15.999 > 6 49 O 0.32026986673968 0.07026986673968 0.37315729787386 15.999 > 7 50 O 0.82026986673968 0.07026986673968 0.37315729787386 15.999 > 7 51 O 0.32026986673968 0.57026986673968 0.37315729787386 15.999 > 7 52 O 0.82026986673968 0.57026986673968 0.37315729787386 15.999 > 7 53 O 0.32026986673968 0.07026986673968 0.87315729787386 15.999 > 7 54 O 0.82026986673968 0.07026986673968 0.87315729787386 15.999 > 7 55 O 0.32026986673968 0.57026986673968 0.87315729787386 15.999 > 7 56 O 0.82026986673968 0.57026986673968 0.87315729787386 15.999 > 7 57 O 0.42973013326032 0.32026986673968 0.37315729787386 15.999 > 8 58 O 0.92973013326032 0.32026986673968 0.37315729787386 15.999 > 8 59 O 0.42973013326032 0.82026986673968 0.37315729787386 15.999 > 8 60 O 0.92973013326032 0.82026986673968 0.37315729787386 15.999 > 8 61 O 0.42973013326032 0.32026986673968 0.87315729787386 15.999 > 8 62 O 0.92973013326032 0.32026986673968 0.87315729787386 15.999 > 8 63 O 0.42973013326032 0.82026986673968 0.87315729787386 15.999 > 8 64 O 0.92973013326032 0.82026986673968 0.87315729787386 15.999 > 8 65 O 0.17973013326032 0.42973013326032 0.37315729787386 15.999 > 9 66 O 0.67973013326032 0.42973013326032 0.37315729787386 15.999 > 9 67 O 0.17973013326032 0.92973013326032 0.37315729787386 15.999 > 9 68 O 0.67973013326032 0.92973013326032 0.37315729787386 15.999 > 9 69 O 0.17973013326032 0.42973013326032 0.87315729787386 15.999 > 9 70 O 0.67973013326032 0.42973013326032 0.87315729787386 15.999 > 9 71 O 0.17973013326032 0.92973013326032 0.87315729787386 15.999 > 9 72 O 0.67973013326032 0.92973013326032 0.87315729787386 15.999 > 9 73 O 0.07026986673968 0.17973013326032 0.37315729787386 15.999 > 10 74 O 0.57026986673968 0.17973013326032 0.37315729787386 15.999 > 10 75 O 0.07026986673968 0.67973013326032 0.37315729787386 15.999 > 10 76 O 0.57026986673968 0.67973013326032 0.37315729787386 15.999 > 10 77 O 0.07026986673968 0.17973013326032 0.87315729787386 15.999 > 10 78 O 0.57026986673968 0.17973013326032 0.87315729787386 15.999 > 10 79 O 0.07026986673968 0.67973013326032 0.87315729787386 15.999 > 10 80 O 0.57026986673968 0.67973013326032 0.87315729787386 15.999 > 10 *81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 11 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 11 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 11 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 11 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 11 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 11 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 11 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 11 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 12 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 12 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 12 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 12 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 12 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 12 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 12 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 12 *97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 13 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 13 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 13 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 13 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 13 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 13 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 13 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 13 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 14 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 14 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 14 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 14 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 14 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 14 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 14 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 14 *113 Sm 0.08640325852262 0.33640325852262 0.25000000000000 150.360 > 15 114 Sm 0.58640325852262 0.33640325852262 0.25000000000000 150.360 > 15 115 Sm 0.08640325852262 0.83640325852262 0.25000000000000 150.360 > 15 116 Sm 0.58640325852262 0.83640325852262 0.25000000000000 150.360 > 15 117 Sm 0.08640325852262 0.33640325852262 0.75000000000000 150.360 > 15 118 Sm 0.58640325852262 0.33640325852262 0.75000000000000 150.360 > 15 119 Sm 0.08640325852262 0.83640325852262 0.75000000000000 150.360 > 15 120 Sm 0.58640325852262 0.83640325852262 0.75000000000000 150.360 > 15 121 Sm 0.16359674147738 0.08640325852262 0.25000000000000 150.360 > 16 122 Sm 0.66359674147738 0.08640325852262 0.25000000000000 150.360 > 16 123 Sm 0.16359674147738 0.58640325852262 0.25000000000000 150.360 > 16 124 Sm 0.66359674147738 0.58640325852262 0.25000000000000 150.360 > 16 125 Sm 0.16359674147738 0.08640325852262 0.75000000000000 150.360 > 16 126 Sm 0.66359674147738 0.08640325852262 0.75000000000000 150.360 > 16 127 Sm 0.16359674147738 0.58640325852262 0.75000000000000 150.360 > 16 128 Sm 0.66359674147738 0.58640325852262 0.75000000000000 150.360 > 16 129 Sm 0.33640325852262 0.41359674147738 0.25000000000000 150.360 > 17 130 Sm 0.83640325852262 0.41359674147738 0.25000000000000 150.360 > 17 131 Sm 0.33640325852262 0.91359674147738 0.25000000000000 150.360 > 17 132 Sm 0.83640325852262 0.91359674147738 0.25000000000000 150.360 > 17 133 Sm 0.33640325852262 0.41359674147738 0.75000000000000 150.360 > 17 134 Sm 0.83640325852262 0.41359674147738 0.75000000000000 150.360 > 17 135 Sm 0.33640325852262 0.91359674147738 0.75000000000000 150.360 > 17 136 Sm 0.83640325852262 0.91359674147738 0.75000000000000 150.360 > 17 137 Sm 0.41359674147738 0.16359674147738 0.25000000000000 150.360 > 18 138 Sm 0.91359674147738 0.16359674147738 0.25000000000000 150.360 > 18 139 Sm 0.41359674147738 0.66359674147738 0.25000000000000 150.360 > 18 140 Sm 0.91359674147738 0.66359674147738 0.25000000000000 150.360 > 18 141 Sm 0.41359674147738 0.16359674147738 0.75000000000000 150.360 > 18 142 Sm 0.91359674147738 0.16359674147738 0.75000000000000 150.360 > 18 143 Sm 0.41359674147738 0.66359674147738 0.75000000000000 150.360 > 18 144 Sm 0.91359674147738 0.66359674147738 0.75000000000000 150.360 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5359536 0.0000000 0.0000000 0.0000000 5.5359536 0.0000000 0.0000000 0.0000000 6.1473115 -------------------------- Born effective charges -------------------------- 1 O -2.9987236 -0.3525352 0.0000000 0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 2 O -2.9987236 0.3525352 0.0000000 -0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 3 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 4 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 5 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 6 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 7 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 8 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 9 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 10 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 11 Pd 0.2178082 0.9757546 0.0000000 0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 12 Pd 0.2178082 -0.9757546 0.0000000 -0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 13 Ba 2.9297145 0.0908197 0.0000000 -0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 14 Ba 2.9297145 -0.0908197 0.0000000 0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 15 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 16 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 17 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 18 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.092 Solver_block: 160 / 160 - Time: 0.675 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.787 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:55:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:55:45]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.625978140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.625978140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859520780000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.64053973347935 0.14053973347935 0.25368540425228 15.999 4 O 0.35946026652065 0.85946026652065 0.25368540425228 15.999 5 O 0.14053973347935 0.35946026652065 0.25368540425228 15.999 6 O 0.85946026652065 0.64053973347935 0.25368540425228 15.999 7 O 0.64053973347935 0.14053973347935 0.74631459574772 15.999 8 O 0.85946026652065 0.64053973347935 0.74631459574772 15.999 9 O 0.35946026652065 0.85946026652065 0.74631459574772 15.999 10 O 0.14053973347935 0.35946026652065 0.74631459574772 15.999 11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 15 Sm 0.17280651704524 0.67280651704524 0.50000000000000 150.360 16 Sm 0.32719348295476 0.17280651704524 0.50000000000000 150.360 17 Sm 0.67280651704524 0.82719348295476 0.50000000000000 150.360 18 Sm 0.82719348295476 0.32719348295476 0.50000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.251956280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.251956280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719041560000001 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.32026986673968 0.07026986673968 0.12684270212614 15.999 > 17 18 O 0.82026986673968 0.07026986673968 0.12684270212614 15.999 > 17 19 O 0.32026986673968 0.57026986673968 0.12684270212614 15.999 > 17 20 O 0.82026986673968 0.57026986673968 0.12684270212614 15.999 > 17 21 O 0.32026986673968 0.07026986673968 0.62684270212614 15.999 > 17 22 O 0.82026986673968 0.07026986673968 0.62684270212614 15.999 > 17 23 O 0.32026986673968 0.57026986673968 0.62684270212614 15.999 > 17 24 O 0.82026986673968 0.57026986673968 0.62684270212614 15.999 > 17 25 O 0.17973013326032 0.42973013326032 0.12684270212614 15.999 > 25 26 O 0.67973013326032 0.42973013326032 0.12684270212614 15.999 > 25 27 O 0.17973013326032 0.92973013326032 0.12684270212614 15.999 > 25 28 O 0.67973013326032 0.92973013326032 0.12684270212614 15.999 > 25 29 O 0.17973013326032 0.42973013326032 0.62684270212614 15.999 > 25 30 O 0.67973013326032 0.42973013326032 0.62684270212614 15.999 > 25 31 O 0.17973013326032 0.92973013326032 0.62684270212614 15.999 > 25 32 O 0.67973013326032 0.92973013326032 0.62684270212614 15.999 > 25 33 O 0.07026986673968 0.17973013326032 0.12684270212614 15.999 > 33 34 O 0.57026986673968 0.17973013326032 0.12684270212614 15.999 > 33 35 O 0.07026986673968 0.67973013326032 0.12684270212614 15.999 > 33 36 O 0.57026986673968 0.67973013326032 0.12684270212614 15.999 > 33 37 O 0.07026986673968 0.17973013326032 0.62684270212614 15.999 > 33 38 O 0.57026986673968 0.17973013326032 0.62684270212614 15.999 > 33 39 O 0.07026986673968 0.67973013326032 0.62684270212614 15.999 > 33 40 O 0.57026986673968 0.67973013326032 0.62684270212614 15.999 > 33 41 O 0.42973013326032 0.32026986673968 0.12684270212614 15.999 > 41 42 O 0.92973013326032 0.32026986673968 0.12684270212614 15.999 > 41 43 O 0.42973013326032 0.82026986673968 0.12684270212614 15.999 > 41 44 O 0.92973013326032 0.82026986673968 0.12684270212614 15.999 > 41 45 O 0.42973013326032 0.32026986673968 0.62684270212614 15.999 > 41 46 O 0.92973013326032 0.32026986673968 0.62684270212614 15.999 > 41 47 O 0.42973013326032 0.82026986673968 0.62684270212614 15.999 > 41 48 O 0.92973013326032 0.82026986673968 0.62684270212614 15.999 > 41 49 O 0.32026986673968 0.07026986673968 0.37315729787386 15.999 > 49 50 O 0.82026986673968 0.07026986673968 0.37315729787386 15.999 > 49 51 O 0.32026986673968 0.57026986673968 0.37315729787386 15.999 > 49 52 O 0.82026986673968 0.57026986673968 0.37315729787386 15.999 > 49 53 O 0.32026986673968 0.07026986673968 0.87315729787386 15.999 > 49 54 O 0.82026986673968 0.07026986673968 0.87315729787386 15.999 > 49 55 O 0.32026986673968 0.57026986673968 0.87315729787386 15.999 > 49 56 O 0.82026986673968 0.57026986673968 0.87315729787386 15.999 > 49 57 O 0.42973013326032 0.32026986673968 0.37315729787386 15.999 > 57 58 O 0.92973013326032 0.32026986673968 0.37315729787386 15.999 > 57 59 O 0.42973013326032 0.82026986673968 0.37315729787386 15.999 > 57 60 O 0.92973013326032 0.82026986673968 0.37315729787386 15.999 > 57 61 O 0.42973013326032 0.32026986673968 0.87315729787386 15.999 > 57 62 O 0.92973013326032 0.32026986673968 0.87315729787386 15.999 > 57 63 O 0.42973013326032 0.82026986673968 0.87315729787386 15.999 > 57 64 O 0.92973013326032 0.82026986673968 0.87315729787386 15.999 > 57 65 O 0.17973013326032 0.42973013326032 0.37315729787386 15.999 > 65 66 O 0.67973013326032 0.42973013326032 0.37315729787386 15.999 > 65 67 O 0.17973013326032 0.92973013326032 0.37315729787386 15.999 > 65 68 O 0.67973013326032 0.92973013326032 0.37315729787386 15.999 > 65 69 O 0.17973013326032 0.42973013326032 0.87315729787386 15.999 > 65 70 O 0.67973013326032 0.42973013326032 0.87315729787386 15.999 > 65 71 O 0.17973013326032 0.92973013326032 0.87315729787386 15.999 > 65 72 O 0.67973013326032 0.92973013326032 0.87315729787386 15.999 > 65 73 O 0.07026986673968 0.17973013326032 0.37315729787386 15.999 > 73 74 O 0.57026986673968 0.17973013326032 0.37315729787386 15.999 > 73 75 O 0.07026986673968 0.67973013326032 0.37315729787386 15.999 > 73 76 O 0.57026986673968 0.67973013326032 0.37315729787386 15.999 > 73 77 O 0.07026986673968 0.17973013326032 0.87315729787386 15.999 > 73 78 O 0.57026986673968 0.17973013326032 0.87315729787386 15.999 > 73 79 O 0.07026986673968 0.67973013326032 0.87315729787386 15.999 > 73 80 O 0.57026986673968 0.67973013326032 0.87315729787386 15.999 > 73 81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 81 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 81 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 81 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 81 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 81 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 81 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 81 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 81 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 89 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 89 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 89 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 89 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 89 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 97 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 97 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 97 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 97 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 97 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 97 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 97 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 97 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 105 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 105 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 105 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 105 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 105 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 105 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 105 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 105 113 Sm 0.08640325852262 0.33640325852262 0.25000000000000 150.360 > 113 114 Sm 0.58640325852262 0.33640325852262 0.25000000000000 150.360 > 113 115 Sm 0.08640325852262 0.83640325852262 0.25000000000000 150.360 > 113 116 Sm 0.58640325852262 0.83640325852262 0.25000000000000 150.360 > 113 117 Sm 0.08640325852262 0.33640325852262 0.75000000000000 150.360 > 113 118 Sm 0.58640325852262 0.33640325852262 0.75000000000000 150.360 > 113 119 Sm 0.08640325852262 0.83640325852262 0.75000000000000 150.360 > 113 120 Sm 0.58640325852262 0.83640325852262 0.75000000000000 150.360 > 113 121 Sm 0.16359674147738 0.08640325852262 0.25000000000000 150.360 > 121 122 Sm 0.66359674147738 0.08640325852262 0.25000000000000 150.360 > 121 123 Sm 0.16359674147738 0.58640325852262 0.25000000000000 150.360 > 121 124 Sm 0.66359674147738 0.58640325852262 0.25000000000000 150.360 > 121 125 Sm 0.16359674147738 0.08640325852262 0.75000000000000 150.360 > 121 126 Sm 0.66359674147738 0.08640325852262 0.75000000000000 150.360 > 121 127 Sm 0.16359674147738 0.58640325852262 0.75000000000000 150.360 > 121 128 Sm 0.66359674147738 0.58640325852262 0.75000000000000 150.360 > 121 129 Sm 0.33640325852262 0.41359674147738 0.25000000000000 150.360 > 129 130 Sm 0.83640325852262 0.41359674147738 0.25000000000000 150.360 > 129 131 Sm 0.33640325852262 0.91359674147738 0.25000000000000 150.360 > 129 132 Sm 0.83640325852262 0.91359674147738 0.25000000000000 150.360 > 129 133 Sm 0.33640325852262 0.41359674147738 0.75000000000000 150.360 > 129 134 Sm 0.83640325852262 0.41359674147738 0.75000000000000 150.360 > 129 135 Sm 0.33640325852262 0.91359674147738 0.75000000000000 150.360 > 129 136 Sm 0.83640325852262 0.91359674147738 0.75000000000000 150.360 > 129 137 Sm 0.41359674147738 0.16359674147738 0.25000000000000 150.360 > 137 138 Sm 0.91359674147738 0.16359674147738 0.25000000000000 150.360 > 137 139 Sm 0.41359674147738 0.66359674147738 0.25000000000000 150.360 > 137 140 Sm 0.91359674147738 0.66359674147738 0.25000000000000 150.360 > 137 141 Sm 0.41359674147738 0.16359674147738 0.75000000000000 150.360 > 137 142 Sm 0.91359674147738 0.16359674147738 0.75000000000000 150.360 > 137 143 Sm 0.41359674147738 0.66359674147738 0.75000000000000 150.360 > 137 144 Sm 0.91359674147738 0.66359674147738 0.75000000000000 150.360 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5359536 0.0000000 0.0000000 0.0000000 5.5359536 0.0000000 0.0000000 0.0000000 6.1473115 -------------------------- Born effective charges -------------------------- 1 O -2.9987236 -0.3525352 0.0000000 0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 2 O -2.9987236 0.3525352 0.0000000 -0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 3 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 4 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 5 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 6 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 7 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 8 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 9 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 10 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 11 Pd 0.2178082 0.9757546 0.0000000 0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 12 Pd 0.2178082 -0.9757546 0.0000000 -0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 13 Ba 2.9297145 0.0908197 0.0000000 -0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 14 Ba 2.9297145 -0.0908197 0.0000000 0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 15 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 16 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 17 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 18 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000010 (xy) -0.00000010 (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 2026-01-07 22:56:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:56:01]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.625978140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.625978140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859520780000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.64053973347935 0.14053973347935 0.25368540425228 15.999 4 O 0.35946026652065 0.85946026652065 0.25368540425228 15.999 5 O 0.14053973347935 0.35946026652065 0.25368540425228 15.999 6 O 0.85946026652065 0.64053973347935 0.25368540425228 15.999 7 O 0.64053973347935 0.14053973347935 0.74631459574772 15.999 8 O 0.85946026652065 0.64053973347935 0.74631459574772 15.999 9 O 0.35946026652065 0.85946026652065 0.74631459574772 15.999 10 O 0.14053973347935 0.35946026652065 0.74631459574772 15.999 11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 15 Sm 0.17280651704524 0.67280651704524 0.50000000000000 150.360 16 Sm 0.32719348295476 0.17280651704524 0.50000000000000 150.360 17 Sm 0.67280651704524 0.82719348295476 0.50000000000000 150.360 18 Sm 0.82719348295476 0.32719348295476 0.50000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.251956280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.251956280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719041560000001 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.32026986673968 0.07026986673968 0.12684270212614 15.999 > 17 18 O 0.82026986673968 0.07026986673968 0.12684270212614 15.999 > 17 19 O 0.32026986673968 0.57026986673968 0.12684270212614 15.999 > 17 20 O 0.82026986673968 0.57026986673968 0.12684270212614 15.999 > 17 21 O 0.32026986673968 0.07026986673968 0.62684270212614 15.999 > 17 22 O 0.82026986673968 0.07026986673968 0.62684270212614 15.999 > 17 23 O 0.32026986673968 0.57026986673968 0.62684270212614 15.999 > 17 24 O 0.82026986673968 0.57026986673968 0.62684270212614 15.999 > 17 25 O 0.17973013326032 0.42973013326032 0.12684270212614 15.999 > 25 26 O 0.67973013326032 0.42973013326032 0.12684270212614 15.999 > 25 27 O 0.17973013326032 0.92973013326032 0.12684270212614 15.999 > 25 28 O 0.67973013326032 0.92973013326032 0.12684270212614 15.999 > 25 29 O 0.17973013326032 0.42973013326032 0.62684270212614 15.999 > 25 30 O 0.67973013326032 0.42973013326032 0.62684270212614 15.999 > 25 31 O 0.17973013326032 0.92973013326032 0.62684270212614 15.999 > 25 32 O 0.67973013326032 0.92973013326032 0.62684270212614 15.999 > 25 33 O 0.07026986673968 0.17973013326032 0.12684270212614 15.999 > 33 34 O 0.57026986673968 0.17973013326032 0.12684270212614 15.999 > 33 35 O 0.07026986673968 0.67973013326032 0.12684270212614 15.999 > 33 36 O 0.57026986673968 0.67973013326032 0.12684270212614 15.999 > 33 37 O 0.07026986673968 0.17973013326032 0.62684270212614 15.999 > 33 38 O 0.57026986673968 0.17973013326032 0.62684270212614 15.999 > 33 39 O 0.07026986673968 0.67973013326032 0.62684270212614 15.999 > 33 40 O 0.57026986673968 0.67973013326032 0.62684270212614 15.999 > 33 41 O 0.42973013326032 0.32026986673968 0.12684270212614 15.999 > 41 42 O 0.92973013326032 0.32026986673968 0.12684270212614 15.999 > 41 43 O 0.42973013326032 0.82026986673968 0.12684270212614 15.999 > 41 44 O 0.92973013326032 0.82026986673968 0.12684270212614 15.999 > 41 45 O 0.42973013326032 0.32026986673968 0.62684270212614 15.999 > 41 46 O 0.92973013326032 0.32026986673968 0.62684270212614 15.999 > 41 47 O 0.42973013326032 0.82026986673968 0.62684270212614 15.999 > 41 48 O 0.92973013326032 0.82026986673968 0.62684270212614 15.999 > 41 49 O 0.32026986673968 0.07026986673968 0.37315729787386 15.999 > 49 50 O 0.82026986673968 0.07026986673968 0.37315729787386 15.999 > 49 51 O 0.32026986673968 0.57026986673968 0.37315729787386 15.999 > 49 52 O 0.82026986673968 0.57026986673968 0.37315729787386 15.999 > 49 53 O 0.32026986673968 0.07026986673968 0.87315729787386 15.999 > 49 54 O 0.82026986673968 0.07026986673968 0.87315729787386 15.999 > 49 55 O 0.32026986673968 0.57026986673968 0.87315729787386 15.999 > 49 56 O 0.82026986673968 0.57026986673968 0.87315729787386 15.999 > 49 57 O 0.42973013326032 0.32026986673968 0.37315729787386 15.999 > 57 58 O 0.92973013326032 0.32026986673968 0.37315729787386 15.999 > 57 59 O 0.42973013326032 0.82026986673968 0.37315729787386 15.999 > 57 60 O 0.92973013326032 0.82026986673968 0.37315729787386 15.999 > 57 61 O 0.42973013326032 0.32026986673968 0.87315729787386 15.999 > 57 62 O 0.92973013326032 0.32026986673968 0.87315729787386 15.999 > 57 63 O 0.42973013326032 0.82026986673968 0.87315729787386 15.999 > 57 64 O 0.92973013326032 0.82026986673968 0.87315729787386 15.999 > 57 65 O 0.17973013326032 0.42973013326032 0.37315729787386 15.999 > 65 66 O 0.67973013326032 0.42973013326032 0.37315729787386 15.999 > 65 67 O 0.17973013326032 0.92973013326032 0.37315729787386 15.999 > 65 68 O 0.67973013326032 0.92973013326032 0.37315729787386 15.999 > 65 69 O 0.17973013326032 0.42973013326032 0.87315729787386 15.999 > 65 70 O 0.67973013326032 0.42973013326032 0.87315729787386 15.999 > 65 71 O 0.17973013326032 0.92973013326032 0.87315729787386 15.999 > 65 72 O 0.67973013326032 0.92973013326032 0.87315729787386 15.999 > 65 73 O 0.07026986673968 0.17973013326032 0.37315729787386 15.999 > 73 74 O 0.57026986673968 0.17973013326032 0.37315729787386 15.999 > 73 75 O 0.07026986673968 0.67973013326032 0.37315729787386 15.999 > 73 76 O 0.57026986673968 0.67973013326032 0.37315729787386 15.999 > 73 77 O 0.07026986673968 0.17973013326032 0.87315729787386 15.999 > 73 78 O 0.57026986673968 0.17973013326032 0.87315729787386 15.999 > 73 79 O 0.07026986673968 0.67973013326032 0.87315729787386 15.999 > 73 80 O 0.57026986673968 0.67973013326032 0.87315729787386 15.999 > 73 81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 81 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 81 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 81 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 81 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 81 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 81 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 81 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 81 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 89 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 89 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 89 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 89 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 89 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 97 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 97 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 97 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 97 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 97 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 97 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 97 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 97 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 105 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 105 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 105 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 105 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 105 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 105 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 105 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 105 113 Sm 0.08640325852262 0.33640325852262 0.25000000000000 150.360 > 113 114 Sm 0.58640325852262 0.33640325852262 0.25000000000000 150.360 > 113 115 Sm 0.08640325852262 0.83640325852262 0.25000000000000 150.360 > 113 116 Sm 0.58640325852262 0.83640325852262 0.25000000000000 150.360 > 113 117 Sm 0.08640325852262 0.33640325852262 0.75000000000000 150.360 > 113 118 Sm 0.58640325852262 0.33640325852262 0.75000000000000 150.360 > 113 119 Sm 0.08640325852262 0.83640325852262 0.75000000000000 150.360 > 113 120 Sm 0.58640325852262 0.83640325852262 0.75000000000000 150.360 > 113 121 Sm 0.16359674147738 0.08640325852262 0.25000000000000 150.360 > 121 122 Sm 0.66359674147738 0.08640325852262 0.25000000000000 150.360 > 121 123 Sm 0.16359674147738 0.58640325852262 0.25000000000000 150.360 > 121 124 Sm 0.66359674147738 0.58640325852262 0.25000000000000 150.360 > 121 125 Sm 0.16359674147738 0.08640325852262 0.75000000000000 150.360 > 121 126 Sm 0.66359674147738 0.08640325852262 0.75000000000000 150.360 > 121 127 Sm 0.16359674147738 0.58640325852262 0.75000000000000 150.360 > 121 128 Sm 0.66359674147738 0.58640325852262 0.75000000000000 150.360 > 121 129 Sm 0.33640325852262 0.41359674147738 0.25000000000000 150.360 > 129 130 Sm 0.83640325852262 0.41359674147738 0.25000000000000 150.360 > 129 131 Sm 0.33640325852262 0.91359674147738 0.25000000000000 150.360 > 129 132 Sm 0.83640325852262 0.91359674147738 0.25000000000000 150.360 > 129 133 Sm 0.33640325852262 0.41359674147738 0.75000000000000 150.360 > 129 134 Sm 0.83640325852262 0.41359674147738 0.75000000000000 150.360 > 129 135 Sm 0.33640325852262 0.91359674147738 0.75000000000000 150.360 > 129 136 Sm 0.83640325852262 0.91359674147738 0.75000000000000 150.360 > 129 137 Sm 0.41359674147738 0.16359674147738 0.25000000000000 150.360 > 137 138 Sm 0.91359674147738 0.16359674147738 0.25000000000000 150.360 > 137 139 Sm 0.41359674147738 0.66359674147738 0.25000000000000 150.360 > 137 140 Sm 0.91359674147738 0.66359674147738 0.25000000000000 150.360 > 137 141 Sm 0.41359674147738 0.16359674147738 0.75000000000000 150.360 > 137 142 Sm 0.91359674147738 0.16359674147738 0.75000000000000 150.360 > 137 143 Sm 0.41359674147738 0.66359674147738 0.75000000000000 150.360 > 137 144 Sm 0.91359674147738 0.66359674147738 0.75000000000000 150.360 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5359536 0.0000000 0.0000000 0.0000000 5.5359536 0.0000000 0.0000000 0.0000000 6.1473115 -------------------------- Born effective charges -------------------------- 1 O -2.9987236 -0.3525352 0.0000000 0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 2 O -2.9987236 0.3525352 0.0000000 -0.3525352 -2.9987236 0.0000000 0.0000000 0.0000000 -2.1997388 3 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 4 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 5 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 6 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 7 O -2.1824603 -0.3231325 0.4174625 -0.3231325 -2.1824603 0.4174625 0.6231623 0.6231623 -2.8153907 8 O -2.1824603 0.3231325 -0.4174625 0.3231325 -2.1824603 0.4174625 -0.6231623 0.6231623 -2.8153907 9 O -2.1824603 -0.3231325 -0.4174625 -0.3231325 -2.1824603 -0.4174625 -0.6231623 -0.6231623 -2.8153907 10 O -2.1824603 0.3231325 0.4174625 0.3231325 -2.1824603 -0.4174625 0.6231623 -0.6231623 -2.8153907 11 Pd 0.2178082 0.9757546 0.0000000 0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 12 Pd 0.2178082 -0.9757546 0.0000000 -0.9757546 0.2178082 0.0000000 0.0000000 0.0000000 2.3383964 13 Ba 2.9297145 0.0908197 0.0000000 -0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 14 Ba 2.9297145 -0.0908197 0.0000000 0.0908197 2.9297145 0.0000000 0.0000000 0.0000000 2.7475566 15 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 16 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 17 Sm 4.2905210 -0.5352518 0.0000000 -0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 18 Sm 4.2905210 0.5352518 0.0000000 0.5352518 4.2905210 0.0000000 0.0000000 0.0000000 4.1876743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.65, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 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 2.464 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.559 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 17.822 ( 0.000 0.000 0.000) 0.000 18.090 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 20.536 ( 0.000 0.000 0.000) 0.000 20.819 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 27.091 0.000 0.000) 27.091 0.581 ( 30.233 0.000 0.000) 30.233 0.954 ( 49.569 0.000 0.000) 49.569 2.429 ( -2.654 0.000 0.000) 2.654 2.566 ( -4.902 0.000 0.000) 4.902 2.730 ( 4.881 0.000 0.000) 4.881 2.732 ( 3.060 0.000 0.000) 3.060 2.798 ( 1.810 0.000 0.000) 1.810 2.881 ( 1.876 0.000 0.000) 1.876 2.972 ( 8.747 0.000 0.000) 8.747 3.363 ( -4.487 0.000 0.000) 4.487 3.520 ( -1.778 0.000 0.000) 1.778 3.545 ( -0.341 0.000 0.000) 0.341 3.900 ( 0.145 0.000 0.000) 0.145 4.274 ( -2.240 0.000 0.000) 2.240 4.285 ( 11.257 0.000 0.000) 11.257 4.457 ( -15.230 0.000 0.000) 15.230 4.504 ( -6.581 0.000 0.000) 6.581 4.928 ( -3.608 0.000 0.000) 3.608 5.036 ( 11.131 0.000 0.000) 11.131 5.092 ( -0.309 0.000 0.000) 0.309 5.203 ( -6.330 0.000 0.000) 6.330 5.332 ( 6.557 0.000 0.000) 6.557 5.617 ( -8.945 0.000 0.000) 8.945 5.958 ( -1.927 0.000 0.000) 1.927 6.105 ( -3.464 0.000 0.000) 3.464 6.711 ( -4.215 0.000 0.000) 4.215 6.811 ( -10.506 0.000 0.000) 10.506 6.927 ( -2.001 0.000 0.000) 2.001 6.986 ( -10.318 0.000 0.000) 10.318 7.219 ( -7.187 0.000 0.000) 7.187 7.327 ( -2.434 0.000 0.000) 2.434 8.260 ( 20.981 0.000 0.000) 20.981 8.499 ( 1.558 0.000 0.000) 1.558 8.793 ( -0.815 0.000 0.000) 0.815 9.718 ( 5.875 0.000 0.000) 5.875 9.729 ( 6.715 0.000 0.000) 6.715 10.063 ( 9.798 0.000 0.000) 9.798 10.306 ( -5.426 0.000 0.000) 5.426 10.575 ( 1.606 0.000 0.000) 1.606 10.689 ( 0.411 0.000 0.000) 0.411 11.017 ( -5.381 0.000 0.000) 5.381 11.373 ( 1.331 0.000 0.000) 1.331 12.277 ( -0.919 0.000 0.000) 0.919 12.675 ( -1.311 0.000 0.000) 1.311 12.791 ( -3.631 0.000 0.000) 3.631 17.830 ( 0.788 0.000 0.000) 0.788 18.077 ( -1.353 0.000 0.000) 1.353 18.495 ( 0.154 0.000 0.000) 0.154 18.496 ( 0.208 0.000 0.000) 0.208 19.686 ( 3.188 0.000 0.000) 3.188 20.480 ( -5.126 0.000 0.000) 5.126 20.680 ( 1.924 0.000 0.000) 1.924 20.812 ( -0.667 0.000 0.000) 0.667 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 25.120 0.000 0.000) 25.120 1.130 ( 27.672 0.000 0.000) 27.672 1.840 ( 42.697 0.000 0.000) 42.697 2.382 ( -1.978 0.000 0.000) 1.978 2.424 ( -10.193 0.000 0.000) 10.193 2.798 ( 4.576 0.000 0.000) 4.576 2.840 ( 5.874 0.000 0.000) 5.874 2.848 ( 3.383 0.000 0.000) 3.383 2.934 ( 3.863 0.000 0.000) 3.863 3.189 ( 13.172 0.000 0.000) 13.172 3.252 ( -6.533 0.000 0.000) 6.533 3.502 ( -0.229 0.000 0.000) 0.229 3.537 ( -0.453 0.000 0.000) 0.453 3.902 ( -0.014 0.000 0.000) 0.014 4.102 ( -13.826 0.000 0.000) 13.826 4.311 ( -1.525 0.000 0.000) 1.525 4.335 ( -10.846 0.000 0.000) 10.846 4.525 ( 12.336 0.000 0.000) 12.336 4.828 ( -7.137 0.000 0.000) 7.137 5.052 ( -8.868 0.000 0.000) 8.868 5.118 ( 4.071 0.000 0.000) 4.071 5.161 ( 1.314 0.000 0.000) 1.314 5.374 ( -16.018 0.000 0.000) 16.018 5.500 ( 11.012 0.000 0.000) 11.012 5.928 ( -0.195 0.000 0.000) 0.195 6.002 ( -7.526 0.000 0.000) 7.526 6.564 ( -14.361 0.000 0.000) 14.361 6.642 ( -2.100 0.000 0.000) 2.100 6.697 ( -17.863 0.000 0.000) 17.863 6.878 ( -3.228 0.000 0.000) 3.228 7.155 ( -1.183 0.000 0.000) 1.183 7.269 ( -3.469 0.000 0.000) 3.469 8.542 ( 2.934 0.000 0.000) 2.934 8.698 ( 24.256 0.000 0.000) 24.256 8.769 ( -1.834 0.000 0.000) 1.834 9.870 ( 9.850 0.000 0.000) 9.850 9.891 ( 9.730 0.000 0.000) 9.730 10.152 ( -10.809 0.000 0.000) 10.809 10.265 ( 9.617 0.000 0.000) 9.617 10.615 ( 2.410 0.000 0.000) 2.410 10.697 ( 0.431 0.000 0.000) 0.431 10.875 ( -9.441 0.000 0.000) 9.441 11.442 ( 6.876 0.000 0.000) 6.876 12.248 ( -2.420 0.000 0.000) 2.420 12.639 ( -2.450 0.000 0.000) 2.450 12.693 ( -6.450 0.000 0.000) 6.450 17.852 ( 1.579 0.000 0.000) 1.579 18.041 ( -2.359 0.000 0.000) 2.359 18.499 ( 0.230 0.000 0.000) 0.230 18.500 ( 0.257 0.000 0.000) 0.257 19.773 ( 5.846 0.000 0.000) 5.846 20.361 ( -7.199 0.000 0.000) 7.199 20.713 ( 1.430 0.000 0.000) 1.430 20.795 ( -1.060 0.000 0.000) 1.060 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 22.425 0.000 0.000) 22.425 1.612 ( 23.055 0.000 0.000) 23.055 2.183 ( -15.170 0.000 0.000) 15.170 2.207 ( -6.173 0.000 0.000) 6.173 2.615 ( 25.074 0.000 0.000) 25.074 2.918 ( 1.706 0.000 0.000) 1.706 2.924 ( 4.596 0.000 0.000) 4.596 2.928 ( 9.685 0.000 0.000) 9.685 3.021 ( 4.703 0.000 0.000) 4.703 3.130 ( -6.233 0.000 0.000) 6.233 3.438 ( 13.009 0.000 0.000) 13.009 3.505 ( 0.505 0.000 0.000) 0.505 3.528 ( -0.502 0.000 0.000) 0.502 3.881 ( -3.512 0.000 0.000) 3.512 3.901 ( -5.086 0.000 0.000) 5.086 4.119 ( -11.078 0.000 0.000) 11.078 4.306 ( 0.987 0.000 0.000) 0.987 4.638 ( -13.625 0.000 0.000) 13.625 4.697 ( 5.840 0.000 0.000) 5.840 4.895 ( -7.310 0.000 0.000) 7.310 5.087 ( -11.303 0.000 0.000) 11.303 5.099 ( -6.274 0.000 0.000) 6.274 5.281 ( 13.026 0.000 0.000) 13.026 5.739 ( 14.114 0.000 0.000) 14.114 5.819 ( -11.890 0.000 0.000) 11.890 5.973 ( 4.856 0.000 0.000) 4.856 6.305 ( -12.524 0.000 0.000) 12.524 6.355 ( -18.016 0.000 0.000) 18.016 6.648 ( 2.518 0.000 0.000) 2.518 6.806 ( -4.292 0.000 0.000) 4.292 7.148 ( 0.230 0.000 0.000) 0.230 7.206 ( -2.905 0.000 0.000) 2.905 8.604 ( 3.467 0.000 0.000) 3.467 8.725 ( -2.704 0.000 0.000) 2.704 9.149 ( 23.177 0.000 0.000) 23.177 9.900 ( -15.818 0.000 0.000) 15.818 10.068 ( 10.043 0.000 0.000) 10.043 10.069 ( 8.421 0.000 0.000) 8.421 10.384 ( 3.425 0.000 0.000) 3.425 10.659 ( 2.105 0.000 0.000) 2.105 10.674 ( -11.400 0.000 0.000) 11.400 10.701 ( -0.129 0.000 0.000) 0.129 11.647 ( 14.310 0.000 0.000) 14.310 12.160 ( -7.943 0.000 0.000) 7.943 12.579 ( -4.440 0.000 0.000) 4.440 12.587 ( -2.760 0.000 0.000) 2.760 17.889 ( 2.298 0.000 0.000) 2.298 17.991 ( -2.838 0.000 0.000) 2.838 18.503 ( 0.188 0.000 0.000) 0.188 18.504 ( 0.142 0.000 0.000) 0.142 19.901 ( 7.641 0.000 0.000) 7.641 20.214 ( -8.282 0.000 0.000) 8.282 20.735 ( 1.044 0.000 0.000) 1.044 20.774 ( -1.112 0.000 0.000) 1.112 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -19.205 0.000 0.000) 19.205 1.857 ( 19.205 0.000 0.000) 19.205 1.985 ( -16.186 0.000 0.000) 16.186 1.985 ( 16.186 0.000 0.000) 16.186 2.884 ( -5.964 0.000 0.000) 5.964 2.884 ( 5.964 0.000 0.000) 5.964 3.019 ( -5.511 0.000 0.000) 5.511 3.019 ( 5.511 0.000 0.000) 5.511 3.071 ( -1.370 0.000 0.000) 1.370 3.071 ( 1.370 0.000 0.000) 1.370 3.517 ( -0.649 0.000 0.000) 0.649 3.517 ( 0.649 0.000 0.000) 0.649 3.706 ( -14.517 0.000 0.000) 14.517 3.706 ( 14.517 0.000 0.000) 14.517 3.944 ( -7.580 0.000 0.000) 7.580 3.944 ( 7.580 0.000 0.000) 7.580 4.386 ( -9.303 0.000 0.000) 9.303 4.386 ( 9.303 0.000 0.000) 9.303 4.784 ( -4.557 0.000 0.000) 4.557 4.784 ( 4.557 0.000 0.000) 4.557 5.005 ( -1.775 0.000 0.000) 1.775 5.005 ( 1.775 0.000 0.000) 1.775 5.560 ( -15.157 0.000 0.000) 15.157 5.560 ( 15.157 0.000 0.000) 15.157 6.028 ( -16.456 0.000 0.000) 16.456 6.028 ( 16.456 0.000 0.000) 16.456 6.103 ( -8.823 0.000 0.000) 8.823 6.103 ( 8.823 0.000 0.000) 8.823 6.720 ( -4.606 0.000 0.000) 4.606 6.720 ( 4.606 0.000 0.000) 4.606 7.164 ( -1.553 0.000 0.000) 1.553 7.164 ( 1.553 0.000 0.000) 1.553 8.668 ( -3.285 0.000 0.000) 3.285 8.668 ( 3.285 0.000 0.000) 3.285 9.560 ( -20.102 0.000 0.000) 20.102 9.560 ( 20.102 0.000 0.000) 20.102 10.172 ( -0.918 0.000 0.000) 0.918 10.172 ( 0.918 0.000 0.000) 0.918 10.474 ( -8.364 0.000 0.000) 8.364 10.474 ( 8.364 0.000 0.000) 8.364 10.690 ( -1.131 0.000 0.000) 1.131 10.690 ( 1.131 0.000 0.000) 1.131 11.937 ( -14.904 0.000 0.000) 14.904 11.937 ( 14.904 0.000 0.000) 14.904 12.548 ( -0.851 0.000 0.000) 0.851 12.548 ( 0.851 0.000 0.000) 0.851 17.937 ( -2.780 0.000 0.000) 2.780 17.937 ( 2.780 0.000 0.000) 2.780 18.505 ( -0.041 0.000 0.000) 0.041 18.505 ( 0.041 0.000 0.000) 0.041 20.055 ( -8.451 0.000 0.000) 8.451 20.055 ( 8.451 0.000 0.000) 8.451 20.754 ( -1.006 0.000 0.000) 1.006 20.754 ( 1.006 0.000 0.000) 1.006 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 17.926 17.926 0.000) 25.352 0.728 ( 18.553 18.553 0.000) 26.238 1.400 ( 34.803 34.803 0.000) 49.219 2.411 ( -1.373 -1.373 0.000) 1.942 2.528 ( -4.110 -4.110 0.000) 5.813 2.751 ( 1.720 1.720 0.000) 2.432 2.760 ( 3.206 3.206 0.000) 4.533 2.811 ( 1.342 1.342 0.000) 1.898 2.962 ( 5.456 5.456 0.000) 7.716 2.998 ( 6.138 6.138 0.000) 8.680 3.331 ( -3.672 -3.672 0.000) 5.193 3.503 ( -1.160 -1.160 0.000) 1.641 3.540 ( -0.128 -0.128 0.000) 0.181 3.891 ( -0.298 -0.298 0.000) 0.421 4.211 ( -8.956 -8.956 0.000) 12.665 4.339 ( -5.662 -5.662 0.000) 8.008 4.376 ( 8.692 8.692 0.000) 12.292 4.466 ( -5.162 -5.162 0.000) 7.301 4.891 ( -3.852 -3.852 0.000) 5.447 5.055 ( -2.682 -2.682 0.000) 3.793 5.109 ( 6.642 6.642 0.000) 9.394 5.254 ( -0.575 -0.575 0.000) 0.813 5.303 ( 2.227 2.227 0.000) 3.149 5.681 ( -1.292 -1.292 0.000) 1.828 5.958 ( -1.204 -1.204 0.000) 1.703 6.073 ( -3.488 -3.488 0.000) 4.933 6.223 ( -19.622 -19.622 0.000) 27.749 6.842 ( -3.554 -3.554 0.000) 5.026 6.904 ( -16.848 -16.848 0.000) 23.827 6.907 ( -9.924 -9.924 0.000) 14.034 7.027 ( 0.248 0.248 0.000) 0.351 7.504 ( 6.179 6.179 0.000) 8.738 8.384 ( 13.139 13.139 0.000) 18.581 8.556 ( 5.074 5.074 0.000) 7.176 8.930 ( 6.028 6.028 0.000) 8.525 9.782 ( 6.069 6.069 0.000) 8.583 9.787 ( 6.354 6.354 0.000) 8.986 10.148 ( 8.338 8.338 0.000) 11.792 10.256 ( -5.297 -5.297 0.000) 7.491 10.587 ( 1.284 1.284 0.000) 1.816 10.692 ( 0.281 0.281 0.000) 0.398 10.968 ( -5.105 -5.105 0.000) 7.220 11.185 ( -7.905 -7.905 0.000) 11.179 12.491 ( 9.461 9.461 0.000) 13.379 12.503 ( -9.574 -9.574 0.000) 13.539 12.886 ( 3.228 3.228 0.000) 4.565 17.837 ( 0.793 0.793 0.000) 1.122 18.066 ( -1.120 -1.120 0.000) 1.584 18.492 ( -0.089 -0.089 0.000) 0.126 18.501 ( 0.280 0.280 0.000) 0.395 19.665 ( 0.432 0.432 0.000) 0.611 20.427 ( -5.145 -5.145 0.000) 7.276 20.708 ( 1.975 1.975 0.000) 2.792 20.821 ( 0.156 0.156 0.000) 0.220 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 21.843 10.651 0.000) 24.301 1.139 ( 27.081 4.243 0.000) 27.411 2.068 ( 32.402 20.093 0.000) 38.127 2.389 ( -0.100 0.726 0.000) 0.733 2.406 ( -8.849 -1.940 0.000) 9.060 2.785 ( 2.349 -0.397 0.000) 2.382 2.849 ( 2.642 0.148 0.000) 2.646 2.849 ( 5.385 1.141 0.000) 5.505 3.046 ( 5.101 9.705 0.000) 10.963 3.215 ( 14.019 3.709 0.000) 14.501 3.229 ( -6.479 -2.501 0.000) 6.945 3.496 ( 0.418 -0.518 0.000) 0.666 3.541 ( 0.093 0.517 0.000) 0.525 3.885 ( -1.870 -1.625 0.000) 2.478 3.981 ( -10.829 -10.415 0.000) 15.024 4.294 ( -2.853 -0.864 0.000) 2.981 4.322 ( -7.541 -2.678 0.000) 8.003 4.565 ( 9.966 4.029 0.000) 10.750 4.789 ( -6.704 -4.391 0.000) 8.014 5.000 ( -3.912 -3.608 0.000) 5.322 5.179 ( -2.150 4.348 0.000) 4.851 5.191 ( -0.601 3.789 0.000) 3.837 5.445 ( 9.427 -5.123 0.000) 10.729 5.499 ( -16.397 10.759 0.000) 19.612 5.780 ( -7.931 -16.157 0.000) 17.998 5.973 ( -6.971 -3.243 0.000) 7.688 6.212 ( 8.265 -24.308 0.000) 25.674 6.565 ( -17.520 -12.572 0.000) 21.564 6.576 ( -18.531 -8.457 0.000) 20.370 6.804 ( -4.005 -9.174 0.000) 10.010 7.080 ( 4.187 1.534 0.000) 4.459 7.526 ( -2.873 15.512 0.000) 15.776 8.658 ( 5.347 10.075 0.000) 11.407 8.720 ( 21.011 2.934 0.000) 21.214 8.964 ( -1.201 15.262 0.000) 15.309 9.929 ( 9.333 5.852 0.000) 11.016 9.948 ( 9.742 5.752 0.000) 11.314 10.106 ( -10.601 -4.950 0.000) 11.700 10.322 ( 8.078 6.083 0.000) 10.112 10.620 ( 2.013 0.560 0.000) 2.090 10.697 ( 0.244 -0.036 0.000) 0.247 10.833 ( -8.930 -4.310 0.000) 9.916 11.159 ( 4.991 -19.979 0.000) 20.593 12.272 ( -13.069 -10.441 0.000) 16.728 12.642 ( 5.505 13.844 0.000) 14.899 12.900 ( -1.045 11.344 0.000) 11.392 17.859 ( 1.568 0.787 0.000) 1.754 18.036 ( -2.037 -0.564 0.000) 2.114 18.492 ( 0.144 -0.358 0.000) 0.385 18.505 ( 0.131 0.164 0.000) 0.210 19.719 ( 4.834 -3.878 0.000) 6.197 20.303 ( -7.631 -5.756 0.000) 9.558 20.740 ( 1.363 2.217 0.000) 2.602 20.813 ( -0.784 1.360 0.000) 1.570 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 20.672 6.372 0.000) 21.632 1.630 ( 24.049 2.719 0.000) 24.202 2.192 ( -13.788 0.835 0.000) 13.814 2.247 ( -7.216 3.945 0.000) 8.224 2.670 ( 20.136 4.809 0.000) 20.702 2.855 ( 4.953 -3.481 0.000) 6.054 2.911 ( 3.909 -1.223 0.000) 4.096 2.938 ( 4.209 1.219 0.000) 4.382 3.106 ( -6.335 -2.404 0.000) 6.776 3.133 ( 2.464 7.946 0.000) 8.320 3.494 ( 14.887 5.536 0.000) 15.883 3.512 ( 1.088 0.438 0.000) 1.173 3.541 ( -0.188 1.179 0.000) 1.193 3.751 ( -5.900 -7.270 0.000) 9.362 3.937 ( 0.973 -0.543 0.000) 1.115 4.109 ( -10.697 -1.755 0.000) 10.840 4.320 ( 2.736 2.128 0.000) 3.467 4.644 ( -9.023 -1.475 0.000) 9.142 4.709 ( 5.116 1.134 0.000) 5.240 4.894 ( -6.325 -0.245 0.000) 6.330 5.071 ( -9.288 -1.564 0.000) 9.419 5.156 ( -16.866 6.193 0.000) 17.967 5.253 ( 9.509 -2.427 0.000) 9.814 5.600 ( 3.252 -10.806 0.000) 11.285 5.781 ( 6.075 -18.590 0.000) 19.558 5.850 ( -2.341 0.069 0.000) 2.342 6.214 ( -14.926 -10.280 0.000) 18.123 6.254 ( -15.454 -8.748 0.000) 17.758 6.411 ( 8.047 -18.425 0.000) 20.105 6.710 ( -6.081 -9.672 0.000) 11.425 7.177 ( 5.995 7.280 0.000) 9.431 7.431 ( -6.445 16.659 0.000) 17.862 8.754 ( 4.869 13.442 0.000) 14.297 8.916 ( -3.481 16.792 0.000) 17.149 9.133 ( 21.904 -1.565 0.000) 21.959 9.858 ( -15.492 -4.402 0.000) 16.105 10.117 ( 9.788 4.842 0.000) 10.921 10.124 ( 8.281 5.399 0.000) 9.885 10.407 ( 1.381 2.663 0.000) 3.000 10.644 ( -10.708 -3.075 0.000) 11.141 10.658 ( 1.842 -0.103 0.000) 1.845 10.698 ( -0.253 -0.346 0.000) 0.428 11.361 ( 15.329 -21.904 0.000) 26.735 12.002 ( -15.672 -16.257 0.000) 22.581 12.727 ( 3.880 18.772 0.000) 19.169 12.860 ( -2.937 16.516 0.000) 16.775 17.895 ( 2.230 0.707 0.000) 2.339 17.991 ( -2.567 0.032 0.000) 2.567 18.497 ( 0.284 -0.455 0.000) 0.536 18.505 ( -0.086 -0.085 0.000) 0.121 19.835 ( 7.255 -5.870 0.000) 9.332 20.148 ( -8.610 -6.430 0.000) 10.747 20.761 ( 0.927 2.188 0.000) 2.376 20.796 ( -0.983 1.819 0.000) 2.068 ======================= Grid point 13 (9/75) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -17.877 3.505 0.000) 18.217 1.892 ( 17.877 3.505 0.000) 18.217 2.019 ( -16.639 3.653 0.000) 17.035 2.019 ( 16.639 3.653 0.000) 17.035 2.873 ( -4.110 -1.519 0.000) 4.382 2.873 ( 4.110 -1.519 0.000) 4.382 2.996 ( -5.188 -2.168 0.000) 5.623 2.996 ( 5.188 -2.168 0.000) 5.623 3.079 ( -7.994 1.430 0.000) 8.121 3.079 ( 7.994 1.430 0.000) 8.121 3.531 ( -0.832 1.179 0.000) 1.443 3.531 ( 0.832 1.179 0.000) 1.443 3.701 ( -4.213 -0.590 0.000) 4.254 3.701 ( 4.213 -0.590 0.000) 4.254 3.961 ( -3.370 0.643 0.000) 3.431 3.961 ( 3.370 0.643 0.000) 3.431 4.443 ( -10.536 5.949 0.000) 12.100 4.443 ( 10.536 5.949 0.000) 12.100 4.790 ( -4.502 0.552 0.000) 4.535 4.790 ( 4.502 0.552 0.000) 4.535 4.972 ( -1.562 -3.333 0.000) 3.681 4.972 ( 1.562 -3.333 0.000) 3.681 5.474 ( -12.074 -8.207 0.000) 14.599 5.474 ( 12.074 -8.207 0.000) 14.599 5.954 ( -11.766 -14.796 0.000) 18.904 5.954 ( 11.766 -14.796 0.000) 18.904 5.985 ( -12.674 -3.803 0.000) 13.232 5.985 ( 12.674 -3.803 0.000) 13.232 6.574 ( -8.230 -12.468 0.000) 14.939 6.574 ( 8.230 -12.468 0.000) 14.939 7.301 ( -7.012 13.055 0.000) 14.819 7.301 ( 7.012 13.055 0.000) 14.819 8.841 ( -4.329 15.651 0.000) 16.239 8.841 ( 4.329 15.651 0.000) 16.239 9.527 ( -19.507 -3.461 0.000) 19.812 9.527 ( 19.507 -3.461 0.000) 19.812 10.227 ( -0.796 5.362 0.000) 5.421 10.227 ( 0.796 5.362 0.000) 5.421 10.459 ( -7.103 -1.407 0.000) 7.241 10.459 ( 7.103 -1.407 0.000) 7.241 10.686 ( -1.080 -0.418 0.000) 1.158 10.686 ( 1.080 -0.418 0.000) 1.158 11.684 ( -17.694 -19.956 0.000) 26.671 11.684 ( 17.694 -19.956 0.000) 26.671 12.797 ( -3.620 19.299 0.000) 19.635 12.797 ( 3.620 19.299 0.000) 19.635 17.942 ( -2.615 0.472 0.000) 2.657 17.942 ( 2.615 0.472 0.000) 2.657 18.502 ( -0.256 -0.337 0.000) 0.423 18.502 ( 0.256 -0.337 0.000) 0.423 19.985 ( -8.465 -6.576 0.000) 10.719 19.985 ( 8.465 -6.576 0.000) 10.719 20.778 ( -0.891 2.033 0.000) 2.220 20.778 ( 0.891 2.033 0.000) 2.220 ======================= Grid point 20 (10/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 17.714 17.714 0.000) 25.052 1.380 ( 15.780 15.780 0.000) 22.317 2.342 ( -5.110 -5.110 0.000) 7.227 2.394 ( 0.316 0.316 0.000) 0.447 2.467 ( 18.675 18.675 0.000) 26.411 2.786 ( 0.346 0.346 0.000) 0.489 2.857 ( 0.898 0.898 0.000) 1.269 2.900 ( 4.444 4.444 0.000) 6.285 3.157 ( -5.061 -5.061 0.000) 7.157 3.214 ( 6.959 6.959 0.000) 9.842 3.369 ( 11.172 11.172 0.000) 15.799 3.492 ( 0.356 0.356 0.000) 0.504 3.555 ( 0.808 0.808 0.000) 1.143 3.767 ( -8.170 -8.170 0.000) 11.555 3.881 ( -0.268 -0.268 0.000) 0.379 4.206 ( -8.271 -8.271 0.000) 11.697 4.315 ( 2.688 2.688 0.000) 3.801 4.657 ( 5.009 5.009 0.000) 7.084 4.665 ( -8.129 -8.129 0.000) 11.496 4.937 ( -2.978 -2.978 0.000) 4.212 5.229 ( -0.704 -0.704 0.000) 0.996 5.293 ( 3.442 3.442 0.000) 4.868 5.344 ( -20.840 -20.840 0.000) 29.473 5.370 ( -0.317 -0.317 0.000) 0.449 5.697 ( -3.019 -3.019 0.000) 4.270 5.877 ( -3.046 -3.046 0.000) 4.308 5.885 ( -5.395 -5.395 0.000) 7.630 6.286 ( -19.705 -19.705 0.000) 27.867 6.311 ( -13.028 -13.028 0.000) 18.424 6.653 ( -6.751 -6.751 0.000) 9.547 7.192 ( 8.993 8.993 0.000) 12.718 7.738 ( 5.751 5.751 0.000) 8.133 8.841 ( 10.504 10.504 0.000) 14.855 8.854 ( 10.023 10.023 0.000) 14.175 9.188 ( 7.078 7.078 0.000) 10.010 9.965 ( -9.896 -9.896 0.000) 13.995 10.061 ( 7.533 7.533 0.000) 10.653 10.095 ( 9.142 9.142 0.000) 12.929 10.474 ( 7.956 7.956 0.000) 11.252 10.635 ( 1.025 1.025 0.000) 1.450 10.695 ( -0.196 -0.196 0.000) 0.278 10.721 ( -7.347 -7.347 0.000) 10.391 10.876 ( -7.498 -7.498 0.000) 10.604 11.994 ( -16.819 -16.819 0.000) 23.786 12.903 ( 11.392 11.392 0.000) 16.110 13.072 ( 6.543 6.543 0.000) 9.254 17.881 ( 1.491 1.491 0.000) 2.108 18.019 ( -1.199 -1.199 0.000) 1.696 18.487 ( -0.129 -0.129 0.000) 0.182 18.505 ( -0.119 -0.119 0.000) 0.168 19.680 ( 0.273 0.273 0.000) 0.387 20.165 ( -8.446 -8.446 0.000) 11.945 20.777 ( 1.536 1.536 0.000) 2.172 20.829 ( 0.228 0.228 0.000) 0.323 ======================= Grid point 21 (11/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 16.374 10.324 0.000) 19.357 1.747 ( 22.280 10.120 0.000) 24.470 2.204 ( -9.661 0.064 0.000) 9.661 2.341 ( -6.400 5.454 0.000) 8.409 2.742 ( 8.794 2.039 0.000) 9.027 2.808 ( 2.536 -1.712 0.000) 3.060 2.888 ( 2.433 -0.906 0.000) 2.596 3.001 ( 5.905 5.953 0.000) 8.385 3.050 ( -5.798 -3.244 0.000) 6.644 3.272 ( -3.307 6.618 0.000) 7.398 3.509 ( 6.185 -5.889 0.000) 8.540 3.513 ( 1.713 -0.348 0.000) 1.748 3.563 ( -0.149 0.860 0.000) 0.873 3.751 ( 3.432 7.183 0.000) 7.960 3.895 ( 1.216 -3.427 0.000) 3.636 4.033 ( -8.420 -6.288 0.000) 10.509 4.431 ( 9.640 10.986 0.000) 14.616 4.529 ( -4.617 -10.044 0.000) 11.055 4.734 ( 3.186 1.276 0.000) 3.432 4.876 ( -3.929 -1.730 0.000) 4.293 4.939 ( -15.253 -14.966 0.000) 21.369 5.215 ( 1.954 -1.208 0.000) 2.297 5.351 ( -19.917 12.112 0.000) 23.310 5.386 ( -1.099 -10.707 0.000) 10.764 5.461 ( 6.370 -8.166 0.000) 10.357 5.820 ( 0.184 -2.389 0.000) 2.396 5.926 ( -16.902 -17.620 0.000) 24.416 6.077 ( 13.447 -17.331 0.000) 21.936 6.087 ( -10.784 -8.298 0.000) 13.606 6.513 ( -8.662 -10.766 0.000) 13.818 7.387 ( 11.096 13.652 0.000) 17.592 7.739 ( -4.880 14.236 0.000) 15.049 9.028 ( 8.292 14.425 0.000) 16.639 9.108 ( 16.787 -0.340 0.000) 16.790 9.235 ( -1.346 15.017 0.000) 15.077 9.736 ( -14.285 -8.522 0.000) 16.633 10.206 ( 7.723 3.967 0.000) 8.683 10.262 ( 7.975 8.433 0.000) 11.607 10.498 ( -4.362 6.784 0.000) 8.066 10.569 ( -8.188 -4.164 0.000) 9.186 10.656 ( 1.131 -0.001 0.000) 1.131 10.689 ( -0.511 -0.585 0.000) 0.777 10.969 ( 14.867 -18.444 0.000) 23.690 11.659 ( -18.494 -18.985 0.000) 26.504 13.066 ( 6.178 15.340 0.000) 16.537 13.148 ( 1.735 13.156 0.000) 13.270 17.914 ( 1.977 1.239 0.000) 2.333 17.991 ( -1.790 -0.174 0.000) 1.798 18.488 ( 0.186 -0.405 0.000) 0.445 18.501 ( -0.341 -0.375 0.000) 0.507 19.728 ( 4.597 -4.505 0.000) 6.436 19.999 ( -8.771 -8.664 0.000) 12.329 20.799 ( 0.858 1.572 0.000) 1.791 20.825 ( -0.546 1.023 0.000) 1.160 ======================= Grid point 22 (12/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -14.014 5.347 0.000) 14.999 1.979 ( 14.014 5.347 0.000) 14.999 2.126 ( -16.519 7.741 0.000) 18.243 2.126 ( 16.519 7.741 0.000) 18.243 2.827 ( -2.075 -2.886 0.000) 3.555 2.827 ( 2.075 -2.886 0.000) 3.555 2.952 ( -4.402 -2.175 0.000) 4.910 2.952 ( 4.402 -2.175 0.000) 4.910 3.138 ( -8.402 4.527 0.000) 9.544 3.138 ( 8.402 4.527 0.000) 9.544 3.546 ( -1.547 0.106 0.000) 1.551 3.546 ( 1.547 0.106 0.000) 1.551 3.678 ( -9.700 -2.416 0.000) 9.997 3.678 ( 9.700 -2.416 0.000) 9.997 3.937 ( -3.275 -3.028 0.000) 4.461 3.937 ( 3.275 -3.028 0.000) 4.461 4.521 ( -2.440 -2.962 0.000) 3.838 4.521 ( 2.440 -2.962 0.000) 3.838 4.797 ( -3.896 -0.221 0.000) 3.902 4.797 ( 3.896 -0.221 0.000) 3.902 4.950 ( -17.413 5.688 0.000) 18.319 4.950 ( 17.413 5.688 0.000) 18.319 5.305 ( -6.168 -8.154 0.000) 10.224 5.305 ( 6.168 -8.154 0.000) 10.224 5.650 ( -12.249 -13.966 0.000) 18.576 5.650 ( 12.249 -13.966 0.000) 18.576 5.907 ( -7.971 -4.245 0.000) 9.031 5.907 ( 7.971 -4.245 0.000) 9.031 6.320 ( -11.732 -14.389 0.000) 18.566 6.320 ( 11.732 -14.389 0.000) 18.566 7.591 ( -9.977 16.162 0.000) 18.993 7.591 ( 9.977 16.162 0.000) 18.993 9.163 ( -5.828 16.914 0.000) 17.890 9.163 ( 5.828 16.914 0.000) 17.890 9.435 ( -17.190 -5.905 0.000) 18.176 9.435 ( 17.190 -5.905 0.000) 18.176 10.338 ( -4.177 4.209 0.000) 5.929 10.338 ( 4.177 4.209 0.000) 5.929 10.441 ( -3.529 1.218 0.000) 3.734 10.441 ( 3.529 1.218 0.000) 3.734 10.676 ( -0.888 -0.581 0.000) 1.062 10.676 ( 0.888 -0.581 0.000) 1.062 11.303 ( -18.975 -19.455 0.000) 27.177 11.303 ( 18.976 -19.455 0.000) 27.177 13.144 ( -2.148 16.123 0.000) 16.265 13.144 ( 2.148 16.123 0.000) 16.265 17.953 ( -2.094 0.694 0.000) 2.206 17.953 ( 2.094 0.694 0.000) 2.206 18.494 ( -0.378 -0.501 0.000) 0.627 18.494 ( 0.378 -0.501 0.000) 0.627 19.844 ( -7.417 -7.501 0.000) 10.549 19.844 ( 7.417 -7.501 0.000) 10.549 20.813 ( -0.682 1.407 0.000) 1.564 20.813 ( 0.682 1.407 0.000) 1.564 ======================= Grid point 30 (13/75) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 10.785 10.785 0.000) 15.252 2.006 ( 16.377 16.377 0.000) 23.161 2.178 ( -3.244 -3.244 0.000) 4.588 2.410 ( 0.214 0.214 0.000) 0.302 2.770 ( 1.157 1.157 0.000) 1.637 2.783 ( -0.437 -0.437 0.000) 0.618 2.886 ( 0.897 0.897 0.000) 1.268 2.986 ( -3.520 -3.520 0.000) 4.978 3.128 ( 6.048 6.048 0.000) 8.554 3.334 ( -4.607 -4.607 0.000) 6.516 3.430 ( 3.699 3.699 0.000) 5.232 3.510 ( 0.415 0.415 0.000) 0.587 3.563 ( -0.939 -0.939 0.000) 1.327 3.783 ( -8.917 -8.917 0.000) 12.611 3.860 ( 2.150 2.150 0.000) 3.041 3.918 ( -3.526 -3.526 0.000) 4.987 4.343 ( -6.661 -6.661 0.000) 9.420 4.584 ( -16.619 -16.619 0.000) 23.503 4.750 ( 0.630 0.630 0.000) 0.891 4.757 ( 20.488 20.488 0.000) 28.975 4.832 ( -2.973 -2.973 0.000) 4.204 5.201 ( -0.733 -0.733 0.000) 1.037 5.242 ( -3.875 -3.875 0.000) 5.480 5.394 ( 2.340 2.340 0.000) 3.309 5.534 ( -9.569 -9.569 0.000) 13.533 5.728 ( -4.618 -4.618 0.000) 6.531 5.753 ( -2.974 -2.974 0.000) 4.205 5.792 ( 0.072 0.072 0.000) 0.102 5.944 ( -6.885 -6.885 0.000) 9.737 6.293 ( -12.882 -12.882 0.000) 18.217 7.651 ( 13.461 13.461 0.000) 19.036 7.913 ( 3.307 3.307 0.000) 4.676 9.153 ( 5.814 5.814 0.000) 8.222 9.278 ( 11.675 11.675 0.000) 16.511 9.438 ( 5.786 5.786 0.000) 8.183 9.544 ( -11.473 -11.473 0.000) 16.226 10.265 ( 2.766 2.766 0.000) 3.912 10.417 ( 7.459 7.459 0.000) 10.548 10.452 ( -6.502 -6.502 0.000) 9.195 10.658 ( 0.257 0.257 0.000) 0.363 10.677 ( -0.642 -0.642 0.000) 0.908 10.682 ( -2.311 -2.311 0.000) 3.268 10.708 ( 4.213 4.213 0.000) 5.959 11.303 ( -18.437 -18.437 0.000) 26.074 13.289 ( 8.311 8.311 0.000) 11.754 13.334 ( 6.192 6.192 0.000) 8.757 17.940 ( 1.427 1.427 0.000) 2.017 17.983 ( -0.661 -0.661 0.000) 0.935 18.483 ( -0.093 -0.093 0.000) 0.132 18.492 ( -0.469 -0.469 0.000) 0.663 19.684 ( -0.028 -0.028 0.000) 0.039 19.842 ( -7.568 -7.568 0.000) 10.703 20.820 ( 0.714 0.714 0.000) 1.010 20.834 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 31 (14/75) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -7.830 4.087 0.000) 8.833 2.074 ( 7.830 4.087 0.000) 8.833 2.298 ( -12.277 9.432 0.000) 15.482 2.298 ( 12.277 9.432 0.000) 15.482 2.783 ( -0.743 -1.476 0.000) 1.652 2.783 ( 0.743 -1.476 0.000) 1.652 2.923 ( -2.913 -0.834 0.000) 3.030 2.923 ( 2.913 -0.834 0.000) 3.030 3.223 ( -5.158 3.563 0.000) 6.269 3.223 ( 5.158 3.563 0.000) 6.269 3.533 ( -1.848 -1.226 0.000) 2.217 3.533 ( 1.848 -1.226 0.000) 2.217 3.579 ( -10.520 -7.872 0.000) 13.140 3.579 ( 10.520 -7.872 0.000) 13.140 3.884 ( -1.399 -1.740 0.000) 2.233 3.884 ( 1.399 -1.740 0.000) 2.233 4.347 ( -7.112 -10.181 0.000) 12.419 4.347 ( 7.112 -10.181 0.000) 12.419 4.776 ( -2.377 -1.721 0.000) 2.935 4.776 ( 2.377 -1.721 0.000) 2.935 5.185 ( -22.600 14.039 0.000) 26.605 5.185 ( 22.600 14.039 0.000) 26.605 5.203 ( -1.214 -2.577 0.000) 2.849 5.203 ( 1.214 -2.577 0.000) 2.849 5.497 ( -8.392 -0.914 0.000) 8.441 5.497 ( 8.392 -0.914 0.000) 8.441 5.834 ( -4.368 -3.088 0.000) 5.349 5.834 ( 4.368 -3.088 0.000) 5.349 6.023 ( -15.522 -17.135 0.000) 23.120 6.023 ( 15.522 -17.135 0.000) 23.120 7.862 ( -7.963 11.381 0.000) 13.890 7.862 ( 7.963 11.381 0.000) 13.890 9.322 ( -11.298 -5.378 0.000) 12.513 9.322 ( 11.298 -5.378 0.000) 12.513 9.443 ( -4.960 11.915 0.000) 12.906 9.443 ( 4.960 11.915 0.000) 12.906 10.334 ( -5.036 -2.311 0.000) 5.541 10.334 ( 5.036 -2.311 0.000) 5.541 10.544 ( -6.297 7.322 0.000) 9.658 10.544 ( 6.297 7.322 0.000) 9.658 10.666 ( -0.511 -0.404 0.000) 0.652 10.666 ( 0.511 -0.404 0.000) 0.652 10.973 ( -16.286 -14.925 0.000) 22.091 10.973 ( 16.286 -14.925 0.000) 22.091 13.380 ( -1.243 8.576 0.000) 8.665 13.380 ( 1.243 8.576 0.000) 8.665 17.965 ( -1.188 0.511 0.000) 1.293 17.965 ( 1.188 0.511 0.000) 1.293 18.485 ( -0.282 -0.374 0.000) 0.468 18.485 ( 0.282 -0.374 0.000) 0.468 19.727 ( -4.388 -4.530 0.000) 6.307 19.727 ( 4.388 -4.530 0.000) 6.307 20.829 ( -0.371 0.425 0.000) 0.564 20.829 ( 0.371 0.425 0.000) 0.564 ======================= Grid point 44 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.252 ( -0.000 -0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.304 ( -0.000 -0.000 0.000) 0.000 5.304 ( -0.000 -0.000 0.000) 0.000 5.682 ( -0.000 -0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.803 ( -0.000 -0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 9.265 ( -0.000 -0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.655 ( -0.000 -0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 17.970 ( 0.000 0.000 0.000) 0.000 17.970 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 20.833 ( 0.000 0.000 0.000) 0.000 20.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.000 -0.000 27.814) 27.814 0.533 ( -0.000 -0.000 27.814) 27.814 1.096 ( 0.000 0.000 56.108) 56.108 2.465 ( 0.000 0.000 0.077) 0.077 2.561 ( 0.000 0.000 -5.129) 5.129 2.646 ( -0.000 -0.000 -3.692) 3.692 2.646 ( 0.000 0.000 -3.692) 3.692 2.850 ( 0.000 0.000 -1.463) 1.463 2.850 ( 0.000 0.000 -1.463) 1.463 3.426 ( 0.000 0.000 2.164) 2.164 3.528 ( -0.000 0.000 -1.530) 1.530 3.528 ( -0.000 -0.000 -1.530) 1.530 3.594 ( -0.000 -0.000 1.456) 1.456 3.948 ( 0.000 0.000 4.274) 4.274 3.948 ( 0.000 0.000 4.274) 4.274 4.046 ( 0.000 0.000 -10.834) 10.834 4.552 ( 0.000 0.000 -0.688) 0.688 4.552 ( 0.000 0.000 -0.688) 0.688 4.726 ( 0.000 0.000 0.276) 0.276 5.058 ( 0.000 0.000 8.371) 8.371 5.148 ( 0.000 0.000 4.680) 4.680 5.319 ( 0.000 0.000 3.565) 3.565 5.319 ( 0.000 0.000 3.565) 3.565 5.748 ( 0.000 0.000 5.437) 5.437 5.748 ( 0.000 0.000 5.437) 5.437 6.438 ( 0.000 0.000 3.135) 3.135 6.557 ( -0.000 -0.000 -15.402) 15.402 6.644 ( 0.000 0.000 -20.772) 20.772 6.644 ( 0.000 0.000 -20.772) 20.772 6.909 ( 0.000 0.000 -0.381) 0.381 7.231 ( -0.000 -0.000 11.821) 11.821 7.657 ( 0.000 0.000 21.303) 21.303 7.657 ( 0.000 0.000 21.303) 21.303 8.457 ( -0.000 -0.000 -2.618) 2.618 8.972 ( 0.000 0.000 -7.223) 7.223 9.606 ( -0.000 -0.000 -6.175) 6.175 9.606 ( 0.000 0.000 -6.175) 6.175 9.953 ( 0.000 0.000 -0.362) 0.362 9.953 ( 0.000 0.000 -0.362) 0.362 10.447 ( 0.000 0.000 -10.467) 10.467 10.452 ( 0.000 0.000 9.500) 9.500 11.070 ( 0.000 0.000 -0.143) 0.143 11.474 ( -0.000 -0.000 10.183) 10.183 11.907 ( 0.000 0.000 1.031) 1.031 12.691 ( -0.000 -0.000 0.385) 0.385 12.691 ( 0.000 -0.000 0.385) 0.385 17.930 ( 0.000 0.000 11.175) 11.175 18.415 ( -0.000 -0.000 -7.677) 7.677 18.415 ( 0.000 0.000 -7.677) 7.677 19.674 ( 0.000 0.000 1.622) 1.622 19.674 ( -0.000 -0.000 1.622) 1.622 20.525 ( 0.000 0.000 -1.140) 1.140 20.751 ( -0.000 -0.000 -7.085) 7.085 20.776 ( 0.000 0.000 0.466) 0.466 ======================= Grid point 82 (17/75) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 21.567 0.000 18.083) 28.145 0.814 ( 20.853 0.000 20.608) 29.318 1.391 ( 29.337 0.000 40.011) 49.613 2.428 ( -2.589 0.000 -0.135) 2.593 2.505 ( -5.112 0.000 -5.730) 7.679 2.694 ( 3.451 0.000 -2.706) 4.386 2.708 ( 5.500 0.000 -2.751) 6.150 2.863 ( 1.361 0.000 -1.892) 2.331 2.925 ( 7.152 0.000 -0.417) 7.164 3.078 ( -13.476 0.000 14.638) 19.896 3.379 ( -4.674 0.000 1.395) 4.877 3.518 ( -0.318 0.000 0.068) 0.325 3.539 ( -0.327 0.000 -0.489) 0.588 3.931 ( -0.733 0.000 2.461) 2.568 4.176 ( 10.843 0.000 -8.673) 13.885 4.239 ( 3.189 0.000 -2.414) 4.000 4.437 ( -12.305 0.000 -1.516) 12.398 4.505 ( -4.389 0.000 -0.254) 4.397 4.876 ( 7.524 0.000 -8.482) 11.338 5.000 ( -5.439 0.000 7.028) 8.887 5.147 ( -0.149 0.000 4.602) 4.604 5.346 ( 3.492 0.000 9.858) 10.459 5.376 ( 5.165 0.000 2.826) 5.887 5.681 ( -6.670 0.000 7.528) 10.058 5.893 ( 5.750 0.000 -0.512) 5.773 6.181 ( -9.409 0.000 3.193) 9.936 6.513 ( -2.974 0.000 -14.209) 14.517 6.604 ( -4.016 0.000 -17.240) 17.702 6.884 ( -2.460 0.000 -0.962) 2.642 7.093 ( -10.820 0.000 6.363) 12.552 7.428 ( 17.478 0.000 -10.854) 20.574 7.530 ( 14.455 0.000 -10.481) 17.855 7.574 ( -7.941 0.000 18.497) 20.130 8.480 ( 2.083 0.000 -1.877) 2.804 8.999 ( 2.593 0.000 3.740) 4.551 9.661 ( 5.451 0.000 -6.410) 8.414 9.665 ( 5.824 0.000 -7.068) 9.158 10.047 ( 8.893 0.000 -1.059) 8.955 10.342 ( 24.787 0.000 -17.367) 30.265 10.403 ( -5.025 0.000 7.794) 9.273 10.460 ( 1.498 0.000 -8.869) 8.994 11.031 ( -4.371 0.000 0.991) 4.481 11.489 ( 1.731 0.000 10.560) 10.701 11.945 ( 3.581 0.000 -11.903) 12.430 12.668 ( -2.344 0.000 -0.589) 2.416 12.672 ( -2.607 0.000 -1.961) 3.262 17.941 ( 1.231 0.000 11.559) 11.624 18.417 ( 0.217 0.000 -7.622) 7.625 18.418 ( 0.285 0.000 -7.606) 7.611 19.042 ( -40.295 0.000 42.172) 58.328 19.703 ( 2.976 0.000 1.419) 3.297 20.527 ( -3.932 0.000 2.619) 4.725 20.664 ( -2.646 0.000 -0.866) 2.785 20.746 ( -0.567 0.000 -6.981) 7.004 ======================= Grid point 83 (18/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 19.849 0.000 16.073) 25.541 1.227 ( 24.291 0.000 9.761) 26.179 2.045 ( 35.154 0.000 19.952) 40.421 2.374 ( -8.715 0.000 -4.511) 9.813 2.385 ( -1.639 0.000 0.191) 1.650 2.765 ( 4.570 0.000 -1.596) 4.841 2.825 ( 6.097 0.000 -2.063) 6.436 2.902 ( 2.931 0.000 -3.206) 4.344 2.944 ( -0.286 0.000 7.910) 7.916 3.158 ( 12.900 0.000 -2.947) 13.232 3.274 ( -5.956 0.000 2.054) 6.300 3.522 ( 0.645 0.000 1.776) 1.890 3.535 ( 0.137 0.000 0.033) 0.141 3.923 ( -0.357 0.000 2.098) 2.128 4.125 ( -12.662 0.000 1.848) 12.796 4.278 ( -5.586 0.000 -4.287) 7.041 4.300 ( -1.471 0.000 -0.952) 1.752 4.510 ( 9.422 0.000 -2.301) 9.698 4.877 ( -7.319 0.000 5.695) 9.273 4.893 ( -3.293 0.000 -8.066) 8.712 5.122 ( -3.520 0.000 0.042) 3.520 5.406 ( -0.367 0.000 17.615) 17.619 5.437 ( -2.937 0.000 4.708) 5.549 5.592 ( 3.411 0.000 10.226) 10.780 5.917 ( -0.200 0.000 -1.003) 1.022 6.045 ( -7.245 0.000 3.969) 8.260 6.436 ( -4.848 0.000 -10.794) 11.832 6.510 ( -5.351 0.000 -6.147) 8.150 6.825 ( -3.578 0.000 -3.127) 4.752 6.889 ( -8.112 0.000 6.915) 10.659 7.248 ( -10.909 0.000 10.290) 14.996 7.398 ( -9.874 0.000 11.865) 15.436 8.139 ( 25.474 0.000 -32.847) 41.568 8.524 ( 2.419 0.000 -1.853) 3.047 9.083 ( 7.168 0.000 10.521) 12.730 9.792 ( 7.526 0.000 -7.943) 10.942 9.806 ( 8.481 0.000 -8.854) 12.261 10.204 ( 3.518 0.000 0.623) 3.572 10.279 ( -5.847 0.000 3.832) 6.990 10.526 ( 6.323 0.000 -6.075) 8.769 10.646 ( 8.291 0.000 -4.297) 9.338 10.904 ( -8.583 0.000 2.902) 9.060 11.556 ( 5.916 0.000 10.386) 11.953 12.025 ( 4.551 0.000 -19.441) 19.967 12.577 ( -7.447 0.000 -4.806) 8.863 12.603 ( -4.518 0.000 -3.478) 5.701 17.977 ( 2.533 0.000 12.746) 12.995 18.423 ( 0.313 0.000 -7.491) 7.497 18.424 ( 0.135 0.000 -7.248) 7.249 18.514 ( -17.822 0.000 36.308) 40.446 19.784 ( 5.604 0.000 0.983) 5.690 20.396 ( -8.261 0.000 3.240) 8.873 20.669 ( 1.105 0.000 -4.419) 4.555 20.731 ( -0.872 0.000 -6.683) 6.740 ======================= Grid point 84 (19/75) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 17.671 0.000 8.878) 19.776 1.655 ( 20.017 0.000 4.539) 20.525 2.183 ( -11.041 0.000 0.182) 11.042 2.259 ( -6.720 0.000 4.493) 8.084 2.669 ( 21.846 0.000 4.427) 22.290 2.879 ( 7.699 0.000 -1.548) 7.853 2.903 ( 1.867 0.000 -2.224) 2.904 2.974 ( 3.923 0.000 -4.171) 5.726 2.978 ( 3.167 0.000 3.237) 4.529 3.159 ( -6.335 0.000 2.985) 7.003 3.427 ( 15.724 0.000 0.341) 15.727 3.541 ( 1.335 0.000 2.956) 3.243 3.555 ( 2.052 0.000 1.977) 2.849 3.901 ( -3.064 0.000 2.216) 3.781 3.928 ( -6.174 0.000 2.266) 6.577 4.102 ( -10.253 0.000 -1.601) 10.377 4.292 ( 0.857 0.000 -1.374) 1.620 4.628 ( -7.640 0.000 0.027) 7.640 4.756 ( 0.406 0.000 4.514) 4.532 4.821 ( -3.317 0.000 -3.601) 4.896 5.019 ( -3.640 0.000 -4.136) 5.510 5.284 ( -10.841 0.000 14.758) 18.312 5.426 ( 5.377 0.000 12.169) 13.304 5.750 ( 10.092 0.000 2.455) 10.386 5.859 ( -12.199 0.000 4.113) 12.874 5.950 ( 2.052 0.000 -0.231) 2.065 6.355 ( -2.986 0.000 -0.712) 3.069 6.417 ( -4.335 0.000 8.781) 9.793 6.763 ( -2.528 0.000 -4.507) 5.168 6.795 ( -3.106 0.000 12.293) 12.679 7.093 ( -4.364 0.000 -4.564) 6.315 7.223 ( -8.296 0.000 3.185) 8.887 8.467 ( 9.969 0.000 -20.257) 22.578 8.562 ( 1.384 0.000 -4.117) 4.343 9.295 ( 15.084 0.000 8.682) 17.404 9.851 ( -5.693 0.000 -6.464) 8.614 9.965 ( 7.964 0.000 -10.180) 12.925 10.131 ( -1.705 0.000 5.524) 5.782 10.288 ( 2.566 0.000 -7.165) 7.610 10.638 ( -9.674 0.000 0.240) 9.677 10.674 ( 7.543 0.000 1.204) 7.639 10.798 ( -0.671 0.000 5.993) 6.030 11.724 ( 11.797 0.000 7.461) 13.958 12.089 ( 0.529 0.000 -9.885) 9.899 12.421 ( -7.097 0.000 -10.277) 12.489 12.503 ( -5.885 0.000 -8.219) 10.108 18.038 ( 3.995 0.000 14.916) 15.442 18.269 ( -9.252 0.000 24.950) 26.610 18.428 ( 0.252 0.000 -7.341) 7.345 18.431 ( 0.143 0.000 -7.002) 7.003 19.910 ( 7.583 0.000 0.698) 7.615 20.233 ( -8.911 0.000 1.734) 9.078 20.687 ( 0.754 0.000 -5.041) 5.097 20.715 ( -0.853 0.000 -6.226) 6.284 ======================= Grid point 85 (20/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -8.346 0.000 0.075) 8.347 1.834 ( 8.346 0.000 0.075) 8.347 2.088 ( -7.921 0.000 7.818) 11.129 2.088 ( 7.921 0.000 7.818) 11.129 2.887 ( -4.270 0.000 -0.849) 4.354 2.887 ( 4.270 0.000 -0.849) 4.354 3.015 ( -1.209 0.000 -4.667) 4.821 3.015 ( 1.209 0.000 -4.667) 4.821 3.035 ( -5.961 0.000 2.380) 6.418 3.035 ( 5.961 0.000 2.380) 6.418 3.566 ( -0.796 0.000 3.775) 3.858 3.566 ( 0.796 0.000 3.775) 3.858 3.743 ( -14.270 0.000 4.113) 14.851 3.743 ( 14.270 0.000 4.113) 14.851 3.941 ( -6.446 0.000 -0.322) 6.454 3.941 ( 6.446 0.000 -0.322) 6.454 4.381 ( -10.408 0.000 -0.469) 10.419 4.381 ( 10.408 0.000 -0.469) 10.419 4.783 ( -0.880 0.000 0.981) 1.318 4.783 ( 0.880 0.000 0.981) 1.318 5.082 ( -8.807 0.000 5.970) 10.640 5.082 ( 8.807 0.000 5.970) 10.640 5.613 ( -12.805 0.000 6.459) 14.342 5.613 ( 12.805 0.000 6.459) 14.342 5.916 ( -6.240 0.000 -1.338) 6.382 5.916 ( 6.240 0.000 -1.338) 6.382 6.350 ( -2.382 0.000 12.890) 13.108 6.350 ( 2.382 0.000 12.890) 13.108 6.748 ( -1.245 0.000 3.955) 4.146 6.748 ( 1.245 0.000 3.955) 4.146 7.099 ( -4.300 0.000 -5.705) 7.144 7.099 ( 4.300 0.000 -5.705) 7.144 8.564 ( -1.682 0.000 -9.641) 9.787 8.564 ( 1.682 0.000 -9.641) 9.787 9.608 ( -16.643 0.000 2.802) 16.877 9.608 ( 16.643 0.000 2.802) 16.877 10.090 ( -4.786 0.000 -8.667) 9.901 10.090 ( 4.786 0.000 -8.667) 9.901 10.423 ( -11.051 0.000 -1.275) 11.125 10.423 ( 11.051 0.000 -1.275) 11.125 10.774 ( -2.964 0.000 6.025) 6.714 10.774 ( 2.964 0.000 6.025) 6.714 11.967 ( -12.239 0.000 2.959) 12.591 11.967 ( 12.239 0.000 2.959) 12.591 12.399 ( -4.080 0.000 -13.958) 14.542 12.399 ( 4.080 0.000 -13.958) 14.542 18.130 ( -5.891 0.000 18.598) 19.509 18.130 ( 5.891 0.000 18.598) 19.509 18.431 ( -0.070 0.000 -7.203) 7.203 18.431 ( 0.070 0.000 -7.203) 7.203 20.065 ( -8.708 0.000 0.894) 8.754 20.065 ( 8.708 0.000 0.894) 8.754 20.700 ( -0.704 0.000 -5.654) 5.698 20.700 ( 0.704 0.000 -5.654) 5.698 ======================= Grid point 91 (21/75) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 13.837 13.837 16.488) 25.589 1.005 ( 13.966 13.966 20.576) 28.521 1.678 ( 26.228 26.228 28.017) 46.484 2.400 ( -2.195 -2.195 -1.820) 3.598 2.485 ( -2.798 -2.798 -3.258) 5.125 2.713 ( 3.087 3.087 -3.969) 5.900 2.745 ( 2.385 2.385 -1.074) 3.540 2.944 ( 5.336 5.336 -1.945) 7.793 2.948 ( 4.209 4.209 1.514) 6.142 2.995 ( -3.650 -3.650 8.437) 9.891 3.364 ( -2.276 -2.276 3.197) 4.537 3.474 ( -1.463 -1.463 -2.744) 3.436 3.558 ( 0.298 0.298 1.699) 1.751 3.923 ( -0.525 -0.525 2.515) 2.622 4.214 ( -5.700 -5.700 0.468) 8.075 4.253 ( 6.493 6.493 -8.404) 12.447 4.327 ( -6.207 -6.207 -1.167) 8.855 4.491 ( -1.937 -1.937 0.119) 2.741 4.926 ( 2.337 2.337 -8.663) 9.272 4.949 ( -4.932 -4.932 6.396) 9.463 5.166 ( 1.716 1.716 4.939) 5.503 5.334 ( -0.071 -0.071 5.288) 5.289 5.431 ( 4.773 4.773 10.086) 12.137 5.723 ( -1.331 -1.331 5.057) 5.396 5.880 ( 0.839 0.839 -1.671) 2.050 6.140 ( -5.682 -5.682 4.156) 9.047 6.143 ( -14.822 -14.822 -6.807) 22.039 6.755 ( -3.467 -3.467 -13.022) 13.915 6.840 ( -3.475 -3.475 -0.018) 4.914 7.106 ( -2.179 -2.179 6.511) 7.203 7.143 ( -17.144 -17.144 17.612) 29.966 7.624 ( -2.018 -2.018 10.802) 11.173 7.816 ( 25.396 25.396 -38.097) 52.357 8.545 ( 5.400 5.400 -1.260) 7.740 9.079 ( 5.753 5.753 4.734) 9.414 9.714 ( 5.395 5.395 -7.431) 10.650 9.721 ( 5.575 5.575 -7.099) 10.609 10.139 ( 7.971 7.971 0.178) 11.273 10.369 ( -3.882 -3.882 10.463) 11.816 10.396 ( 3.039 3.039 -16.311) 16.867 10.513 ( 6.784 6.784 -10.525) 14.242 10.989 ( -4.515 -4.515 1.828) 6.641 11.374 ( -7.009 -7.009 13.802) 16.993 12.138 ( 13.586 13.586 -20.974) 28.444 12.504 ( -9.703 -9.703 0.117) 13.723 12.779 ( 3.631 3.631 -3.773) 6.372 17.953 ( 1.230 1.230 11.922) 12.048 18.414 ( -0.085 -0.085 -7.663) 7.664 18.425 ( 0.348 0.348 -7.490) 7.506 18.788 ( -20.335 -20.335 44.309) 52.823 19.681 ( 0.316 0.316 1.352) 1.424 20.469 ( -6.036 -6.036 3.580) 9.257 20.667 ( 1.292 1.292 -4.161) 4.544 20.760 ( 0.401 0.401 -6.173) 6.199 ======================= Grid point 92 (22/75) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 23.024 5.111 10.387) 25.770 1.305 ( 17.381 8.009 15.047) 24.344 2.217 ( 25.312 15.176 13.989) 32.660 2.345 ( -3.243 -1.386 -3.431) 4.920 2.415 ( -2.699 1.529 0.637) 3.167 2.765 ( 2.596 1.191 -1.481) 3.217 2.822 ( 5.044 -0.470 -2.286) 5.557 2.937 ( 0.192 -0.615 7.758) 7.784 3.013 ( 4.504 9.974 -2.978) 11.342 3.165 ( 11.399 1.587 -2.785) 11.841 3.298 ( -2.632 2.459 4.454) 5.728 3.484 ( 1.974 -2.371 -1.164) 3.297 3.554 ( -0.359 0.536 1.444) 1.581 3.911 ( -1.559 -1.013 2.451) 3.076 4.022 ( -10.195 -8.933 3.533) 14.008 4.266 ( -5.579 -1.441 -2.727) 6.374 4.290 ( -1.408 -1.273 -1.987) 2.748 4.538 ( 7.983 2.357 -3.231) 8.928 4.835 ( -6.617 -4.233 5.548) 9.617 4.908 ( -3.391 0.890 -6.508) 7.393 5.159 ( -3.016 3.563 1.745) 4.984 5.397 ( 4.678 -3.374 8.799) 10.521 5.485 ( -2.070 2.963 8.647) 9.372 5.577 ( -10.261 3.394 8.311) 13.634 5.813 ( -3.672 -11.238 3.518) 12.335 6.017 ( -6.467 -2.968 4.328) 8.329 6.117 ( 7.215 -19.327 -5.795) 21.428 6.552 ( -14.317 -5.072 -2.009) 15.322 6.755 ( -8.231 -7.358 4.344) 11.864 6.827 ( -10.366 -12.075 10.560) 19.099 7.115 ( 0.372 -1.472 3.357) 3.685 7.519 ( -7.615 9.033 0.881) 11.847 8.292 ( 22.693 12.296 -29.644) 39.305 8.642 ( 4.542 9.871 -1.933) 11.036 9.174 ( 5.126 8.376 8.997) 13.319 9.837 ( 6.075 4.369 -8.675) 11.457 9.856 ( 8.433 4.781 -9.094) 13.292 10.216 ( -4.019 -0.498 8.280) 9.217 10.297 ( -0.542 4.022 -3.649) 5.457 10.497 ( 8.971 -2.818 -7.107) 11.787 10.645 ( 5.105 -0.113 -3.415) 6.143 10.867 ( -7.661 -3.683 3.264) 9.105 11.309 ( 0.910 -15.492 11.204) 19.141 12.247 ( -8.962 -1.233 -4.703) 10.196 12.405 ( 5.925 6.981 -17.256) 19.535 12.805 ( -0.685 9.768 -5.825) 11.393 17.988 ( 2.478 1.174 13.056) 13.341 18.415 ( 0.081 -0.442 -7.402) 7.415 18.428 ( -0.841 -0.252 -4.872) 4.950 18.461 ( -12.454 -4.733 31.784) 34.463 19.732 ( 4.648 -3.852 1.070) 6.130 20.329 ( -8.376 -6.408 2.314) 10.797 20.695 ( 1.292 2.126 -4.720) 5.336 20.756 ( -0.633 1.774 -5.936) 6.227 ======================= Grid point 93 (23/75) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 16.469 5.198 7.782) 18.942 1.679 ( 20.392 3.030 4.939) 21.199 2.186 ( -9.285 0.453 -0.027) 9.296 2.298 ( -7.132 3.691 4.268) 9.094 2.693 ( 16.185 2.143 0.639) 16.339 2.829 ( 4.079 -1.913 -0.048) 4.506 2.898 ( 2.876 -1.295 -3.622) 4.803 2.973 ( 2.453 -0.451 4.629) 5.258 3.089 ( 2.197 8.465 -3.423) 9.391 3.171 ( -4.417 1.990 5.798) 7.555 3.472 ( 12.948 2.782 0.124) 13.244 3.544 ( 5.244 -0.085 1.526) 5.462 3.565 ( 2.545 2.460 2.071) 4.101 3.804 ( -6.370 -4.995 5.213) 9.628 3.953 ( 0.042 -0.695 1.475) 1.631 4.098 ( -9.764 -1.242 -0.850) 9.879 4.299 ( 2.560 1.324 -2.237) 3.648 4.635 ( -3.981 -0.981 0.044) 4.100 4.738 ( -0.185 -1.776 2.093) 2.751 4.840 ( -3.423 2.107 -2.003) 4.491 5.052 ( -6.746 3.323 -3.969) 8.503 5.266 ( -13.526 -2.406 13.452) 19.227 5.421 ( 0.912 -0.050 12.463) 12.497 5.577 ( 4.354 -13.364 1.993) 14.196 5.845 ( 0.423 -7.728 5.105) 9.272 5.894 ( -2.121 -1.654 4.582) 5.313 6.249 ( 2.582 -9.573 -0.650) 9.937 6.321 ( -6.562 -10.217 9.419) 15.368 6.577 ( -6.621 -15.746 13.788) 21.952 6.700 ( -6.122 -10.062 0.083) 11.778 7.143 ( 2.917 6.899 -3.274) 8.175 7.366 ( -8.102 13.605 -5.271) 16.689 8.618 ( 10.970 12.464 -20.501) 26.381 8.710 ( 2.555 12.968 -5.001) 14.132 9.322 ( 11.518 3.223 9.674) 15.383 9.838 ( -8.379 -1.708 -4.274) 9.560 10.018 ( 7.923 4.848 -10.444) 13.977 10.161 ( 1.213 3.495 4.425) 5.768 10.292 ( 0.665 0.586 -8.857) 8.902 10.607 ( -9.146 -3.111 -0.235) 9.663 10.674 ( 7.487 -0.061 1.166) 7.578 10.789 ( -0.087 -0.953 5.957) 6.033 11.424 ( 11.151 -20.573 5.092) 23.948 11.998 ( -15.277 -16.085 -0.435) 22.188 12.543 ( 7.041 19.661 -16.986) 26.919 12.760 ( -3.928 15.344 -8.334) 17.898 18.047 ( 3.821 0.950 15.123) 15.627 18.259 ( -8.110 -0.987 24.387) 25.720 18.421 ( 0.353 -0.565 -7.384) 7.414 18.431 ( -0.120 -0.121 -7.098) 7.100 19.845 ( 7.159 -5.759 0.804) 9.223 20.163 ( -9.011 -6.681 1.318) 11.295 20.714 ( 0.772 2.284 -4.975) 5.529 20.741 ( -0.813 2.207 -5.681) 6.149 ======================= Grid point 94 (24/75) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -7.670 3.029 -0.389) 8.256 1.864 ( 7.670 3.029 -0.389) 8.256 2.121 ( -8.811 3.542 7.798) 12.288 2.121 ( 8.811 3.542 7.798) 12.288 2.862 ( -2.747 -2.297 -2.040) 4.121 2.862 ( 2.747 -2.297 -2.040) 4.121 2.960 ( -4.085 -2.590 -2.352) 5.379 2.960 ( 4.085 -2.590 -2.352) 5.379 3.112 ( -2.212 4.911 2.955) 6.144 3.112 ( 2.212 4.911 2.955) 6.144 3.574 ( -1.721 0.575 3.731) 4.149 3.574 ( 1.721 0.575 3.731) 4.149 3.726 ( -5.098 -1.450 2.876) 6.031 3.726 ( 5.098 -1.450 2.876) 6.031 3.965 ( -2.727 1.118 0.538) 2.996 3.965 ( 2.727 1.118 0.538) 2.996 4.433 ( -11.968 5.476 -1.120) 13.209 4.433 ( 11.968 5.476 -1.120) 13.209 4.775 ( -2.767 -0.553 0.093) 2.823 4.775 ( 2.767 -0.553 0.093) 2.823 5.055 ( -7.242 -3.304 6.182) 10.078 5.055 ( 7.242 -3.304 6.182) 10.078 5.529 ( -7.791 -7.670 7.270) 13.130 5.529 ( 7.791 -7.670 7.270) 13.130 5.869 ( -4.052 -4.530 0.752) 6.124 5.869 ( 4.052 -4.530 0.752) 6.124 6.259 ( -3.831 -9.413 15.777) 18.766 6.259 ( 3.831 -9.413 15.777) 18.766 6.583 ( -5.505 -14.042 2.085) 15.226 6.583 ( 5.505 -14.042 2.085) 15.226 7.229 ( -6.114 12.475 -6.802) 15.469 7.229 ( 6.114 12.475 -6.802) 15.469 8.724 ( -1.609 14.167 -10.643) 17.792 8.724 ( 1.609 14.167 -10.643) 17.792 9.591 ( -15.440 -1.704 4.065) 16.057 9.591 ( 15.440 -1.704 4.065) 16.057 10.138 ( -4.526 4.630 -9.552) 11.540 10.138 ( 4.526 4.630 -9.552) 11.540 10.406 ( -10.285 -1.538 -1.271) 10.477 10.406 ( 10.285 -1.538 -1.271) 10.477 10.770 ( -2.733 -0.461 5.944) 6.559 10.770 ( 2.733 -0.461 5.944) 6.559 11.695 ( -16.217 -20.156 0.781) 25.882 11.695 ( 16.217 -20.156 0.781) 25.882 12.665 ( -5.883 19.257 -12.137) 23.511 12.665 ( 5.883 19.257 -12.137) 23.511 18.134 ( -5.469 0.386 18.583) 19.375 18.134 ( 5.469 0.386 18.583) 19.375 18.427 ( -0.311 -0.426 -7.274) 7.293 18.427 ( 0.311 -0.426 -7.274) 7.293 19.995 ( -8.589 -6.561 0.835) 10.840 19.995 ( 8.589 -6.561 0.835) 10.840 20.727 ( -0.701 2.301 -5.336) 5.853 20.727 ( 0.701 2.301 -5.336) 5.853 ======================= Grid point 101 (25/75) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 16.172 16.172 8.482) 24.393 1.504 ( 12.360 12.360 11.301) 20.815 2.290 ( -3.558 -3.558 -3.805) 6.309 2.427 ( 0.002 0.002 2.303) 2.303 2.531 ( 13.966 13.966 4.702) 20.303 2.798 ( 0.796 0.796 0.857) 1.415 2.827 ( 2.121 2.121 -5.063) 5.885 2.936 ( 0.988 0.988 8.346) 8.462 3.199 ( 7.184 7.184 -1.665) 10.295 3.232 ( 4.260 4.260 3.137) 6.793 3.365 ( 3.866 3.866 4.255) 6.928 3.454 ( 0.184 0.184 -4.033) 4.041 3.570 ( 2.917 2.917 0.738) 4.191 3.851 ( -6.484 -6.484 7.938) 12.129 3.905 ( -0.549 -0.549 2.074) 2.214 4.188 ( -7.080 -7.080 -1.025) 10.066 4.287 ( 1.888 1.888 -2.873) 3.922 4.580 ( 1.208 1.208 -3.983) 4.334 4.737 ( -5.064 -5.064 4.559) 8.490 4.897 ( -2.106 -2.106 -3.760) 4.797 5.247 ( 1.638 1.638 1.085) 2.558 5.254 ( -6.056 -6.056 3.867) 9.397 5.505 ( -12.571 -12.571 13.427) 22.279 5.581 ( 2.387 2.387 14.996) 15.371 5.703 ( -2.818 -2.818 0.988) 4.106 5.827 ( -3.975 -3.975 -1.213) 5.751 5.951 ( -2.992 -2.992 5.610) 7.027 6.338 ( -15.663 -15.663 4.298) 22.564 6.504 ( -14.693 -14.693 16.554) 26.567 6.651 ( -7.002 -7.002 -0.204) 9.905 7.184 ( 6.623 6.623 -0.425) 9.376 7.659 ( 3.667 3.667 -7.189) 8.864 8.547 ( 14.859 14.859 -23.113) 31.237 8.823 ( 8.679 8.679 -3.436) 12.746 9.328 ( 6.552 6.552 7.425) 11.874 9.895 ( -1.047 -1.047 -7.311) 7.459 9.970 ( 7.144 7.144 -9.351) 13.766 10.199 ( 0.858 0.858 10.101) 10.174 10.383 ( -1.291 -1.291 -17.808) 17.901 10.493 ( 7.969 7.969 2.078) 11.459 10.631 ( -2.197 -2.197 -2.066) 3.731 10.785 ( -3.823 -3.823 4.232) 6.866 11.099 ( -6.460 -6.460 12.925) 15.827 11.990 ( -16.882 -16.882 -0.363) 23.877 12.696 ( 14.177 14.177 -20.083) 28.378 12.952 ( 5.681 5.681 -8.325) 11.570 18.020 ( 2.259 2.259 14.019) 14.378 18.343 ( -6.222 -6.222 28.205) 29.546 18.409 ( -0.153 -0.153 -7.683) 7.687 18.432 ( -0.227 -0.227 -6.600) 6.608 19.693 ( 0.242 0.242 0.998) 1.055 20.181 ( -8.776 -8.776 1.388) 12.489 20.732 ( 1.583 1.583 -4.740) 5.243 20.778 ( 0.457 0.457 -5.364) 5.403 ======================= Grid point 102 (26/75) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 12.705 8.518 5.206) 16.158 1.790 ( 18.560 9.121 4.182) 21.099 2.198 ( -5.586 0.578 0.161) 5.618 2.383 ( -5.278 4.778 3.701) 8.024 2.732 ( 7.361 1.616 -3.000) 8.112 2.814 ( 1.496 -0.017 1.833) 2.366 2.869 ( 1.674 -1.384 -6.124) 6.498 2.965 ( 0.564 -0.219 6.820) 6.847 3.236 ( -3.108 7.383 2.244) 8.319 3.248 ( -1.132 5.221 6.891) 8.720 3.460 ( 7.727 -3.243 -2.013) 8.618 3.506 ( 4.972 -2.894 0.054) 5.753 3.653 ( 1.067 2.324 5.090) 5.696 3.794 ( -0.250 4.403 5.511) 7.059 3.912 ( 0.868 -3.146 1.613) 3.640 4.031 ( -7.757 -5.983 0.185) 9.798 4.389 ( 9.230 9.614 -4.403) 14.036 4.553 ( -2.755 -7.149 3.379) 8.373 4.686 ( -0.160 -4.084 -2.484) 4.783 4.860 ( -1.021 -1.026 -0.393) 1.500 5.062 ( -9.716 -8.595 8.233) 15.364 5.210 ( -12.647 1.933 -0.049) 12.794 5.380 ( 2.470 -6.087 7.791) 10.191 5.460 ( -10.837 5.369 9.677) 15.489 5.675 ( 4.320 -7.281 14.444) 16.742 5.838 ( -2.114 -5.375 2.279) 6.209 6.036 ( 6.098 -11.659 4.069) 13.772 6.073 ( -6.600 -14.312 10.005) 18.668 6.277 ( -8.565 -13.786 14.514) 21.773 6.506 ( -8.702 -10.200 -0.518) 13.418 7.334 ( 8.942 12.289 -4.979) 15.993 7.641 ( -4.905 13.223 -9.617) 17.070 8.830 ( 13.612 9.216 -18.419) 24.688 8.959 ( 5.322 12.212 -6.960) 15.030 9.422 ( 4.585 6.762 8.774) 11.989 9.771 ( -10.594 -5.519 1.254) 12.011 10.108 ( 7.053 3.762 -10.045) 12.837 10.267 ( 4.345 7.258 1.053) 8.524 10.319 ( -2.822 2.045 -13.436) 13.881 10.535 ( -7.264 -3.688 -0.869) 8.193 10.679 ( 7.600 0.981 1.749) 7.860 10.764 ( 0.884 -1.560 5.448) 5.735 11.082 ( 5.953 -14.796 8.205) 17.936 11.656 ( -18.201 -18.859 -0.270) 26.210 12.902 ( 7.859 16.375 -16.667) 24.651 13.018 ( 1.322 11.571 -10.731) 15.837 18.072 ( 3.259 1.711 15.753) 16.177 18.233 ( -5.322 -1.732 22.823) 23.499 18.410 ( 0.229 -0.520 -7.623) 7.644 18.425 ( -0.432 -0.482 -7.240) 7.268 19.740 ( 4.571 -4.398 0.949) 6.414 20.011 ( -8.868 -8.681 1.022) 12.452 20.754 ( 0.848 1.730 -4.725) 5.102 20.777 ( -0.400 1.298 -5.047) 5.227 ======================= Grid point 103 (27/75) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -6.471 4.966 -1.613) 8.315 1.942 ( 6.471 4.966 -1.613) 8.315 2.219 ( -10.515 6.718 7.304) 14.458 2.219 ( 10.515 6.718 7.304) 14.458 2.822 ( -2.152 -1.621 -1.868) 3.278 2.822 ( 2.152 -1.621 -1.868) 3.278 2.917 ( -4.171 -2.063 -1.524) 4.897 2.917 ( 4.171 -2.063 -1.524) 4.897 3.216 ( -1.350 6.103 5.808) 8.533 3.216 ( 1.350 6.103 5.808) 8.533 3.574 ( -3.105 -0.871 3.330) 4.635 3.574 ( 3.105 -0.871 3.330) 4.635 3.693 ( -8.420 -2.364 1.847) 8.938 3.693 ( 8.420 -2.364 1.847) 8.938 3.946 ( -2.598 -2.954 1.142) 4.096 3.946 ( 2.598 -2.954 1.142) 4.096 4.515 ( -2.437 -0.702 -0.156) 2.541 4.515 ( 2.437 -0.702 -0.156) 2.541 4.810 ( -10.078 4.847 0.449) 11.192 4.810 ( 10.078 4.847 0.449) 11.192 4.962 ( -3.828 -3.485 3.028) 5.997 4.962 ( 3.828 -3.485 3.028) 5.997 5.394 ( -0.721 -5.282 9.942) 11.281 5.394 ( 0.721 -5.282 9.942) 11.281 5.757 ( -5.420 -6.885 8.172) 11.982 5.757 ( 5.420 -6.885 8.172) 11.982 6.047 ( -5.578 -10.855 14.002) 18.574 6.047 ( 5.578 -10.855 14.002) 18.574 6.324 ( -10.004 -13.040 0.976) 16.464 6.324 ( 10.004 -13.040 0.976) 16.464 7.505 ( -8.707 15.339 -8.499) 19.578 7.505 ( 8.707 15.339 -8.499) 19.578 8.993 ( -2.826 12.391 -13.219) 18.337 8.993 ( 2.826 12.391 -13.219) 18.337 9.557 ( -10.348 -1.194 7.232) 12.681 9.557 ( 10.348 -1.194 7.232) 12.681 10.224 ( -5.098 2.542 -11.846) 13.144 10.224 ( 5.098 2.542 -11.846) 13.144 10.395 ( -6.894 2.177 -0.675) 7.261 10.395 ( 6.894 2.177 -0.675) 7.261 10.758 ( -2.018 -0.688 5.722) 6.106 10.758 ( 2.018 -0.688 5.722) 6.106 11.318 ( -16.849 -19.012 1.381) 25.441 11.318 ( 16.849 -19.012 1.381) 25.441 13.002 ( -3.001 15.469 -13.409) 20.690 13.002 ( 3.001 15.469 -13.409) 20.690 18.143 ( -4.243 0.560 18.548) 19.036 18.143 ( 4.243 0.560 18.548) 19.036 18.417 ( -0.460 -0.641 -7.470) 7.511 18.417 ( 0.460 -0.641 -7.470) 7.511 19.856 ( -7.413 -7.360 0.935) 10.488 19.856 ( 7.413 -7.360 0.935) 10.488 20.767 ( -0.598 1.657 -4.833) 5.144 20.767 ( 0.598 1.657 -4.833) 5.144 ======================= Grid point 111 (28/75) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 8.221 8.221 1.227) 11.691 1.998 ( 9.918 9.918 -0.989) 14.060 2.214 ( 2.795 2.795 4.475) 5.971 2.444 ( 0.450 0.450 3.309) 3.370 2.761 ( 2.012 2.012 -2.668) 3.901 2.819 ( 0.480 0.480 3.246) 3.316 2.853 ( -0.387 -0.387 -7.411) 7.431 2.957 ( -1.650 -1.650 6.980) 7.360 3.309 ( 0.841 0.841 1.085) 1.610 3.364 ( 2.401 2.401 15.543) 15.910 3.428 ( 4.184 4.184 -0.564) 5.944 3.470 ( 0.566 0.566 -4.086) 4.163 3.642 ( -2.790 -2.790 7.565) 8.532 3.803 ( -8.745 -8.745 1.773) 12.494 3.875 ( 1.078 1.078 1.857) 2.403 3.916 ( -3.423 -3.423 -0.182) 4.845 4.420 ( -4.806 -4.806 8.175) 10.632 4.551 ( -8.022 -8.022 -0.178) 11.346 4.657 ( 12.816 12.816 -6.971) 19.419 4.858 ( 4.927 4.927 1.593) 7.147 4.872 ( -7.692 -7.692 10.313) 14.990 5.274 ( 0.555 0.555 4.121) 4.195 5.285 ( -2.317 -2.317 8.534) 9.141 5.598 ( -4.130 -4.130 3.539) 6.829 5.612 ( -0.020 -0.020 16.284) 16.284 5.643 ( -4.384 -4.384 -2.739) 6.778 5.847 ( -7.237 -7.237 14.284) 17.572 5.916 ( -0.952 -0.952 8.719) 8.822 6.079 ( -7.130 -7.130 11.091) 14.990 6.303 ( -11.385 -11.385 1.787) 16.200 7.572 ( 12.086 12.086 -7.968) 18.858 7.804 ( 3.165 3.165 -11.172) 12.036 8.991 ( 8.702 8.702 -13.310) 18.127 9.143 ( 6.260 6.260 -10.834) 13.991 9.532 ( 3.974 3.974 5.686) 7.995 9.647 ( -6.561 -6.561 6.368) 11.254 10.156 ( 2.053 2.053 -10.263) 10.666 10.303 ( -4.344 -4.344 -14.030) 15.316 10.409 ( 6.848 6.848 -0.048) 9.685 10.516 ( 1.283 1.283 -3.276) 3.745 10.733 ( 4.365 4.365 2.510) 6.664 10.737 ( -0.517 -0.517 4.906) 4.960 10.885 ( -5.197 -5.197 9.269) 11.829 11.305 ( -18.015 -18.015 0.209) 25.478 13.138 ( 8.593 8.593 -15.767) 19.906 13.184 ( 5.739 5.739 -13.096) 15.407 18.110 ( 2.185 2.185 16.862) 17.143 18.196 ( -2.175 -2.175 20.672) 20.899 18.403 ( -0.133 -0.133 -7.782) 7.784 18.415 ( -0.594 -0.594 -7.490) 7.537 19.698 ( 0.051 0.051 1.082) 1.085 19.855 ( -7.484 -7.484 1.076) 10.639 20.777 ( 0.800 0.800 -4.499) 4.639 20.790 ( 0.161 0.161 -4.650) 4.655 ======================= Grid point 112 (29/75) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -4.503 3.868 -3.005) 6.654 2.031 ( 4.503 3.868 -3.005) 6.654 2.363 ( -8.996 7.678 5.722) 13.138 2.363 ( 8.996 7.678 5.722) 13.138 2.807 ( -2.245 0.359 -1.087) 2.520 2.807 ( 2.245 0.359 -1.087) 2.520 2.885 ( -4.349 -1.492 0.261) 4.606 2.885 ( 4.349 -1.492 0.261) 4.606 3.336 ( -2.387 6.406 7.738) 10.325 3.336 ( 2.387 6.406 7.738) 10.325 3.535 ( -2.988 -3.168 2.307) 4.928 3.535 ( 2.988 -3.168 2.307) 4.928 3.608 ( -7.601 -6.887 2.949) 10.673 3.608 ( 7.601 -6.887 2.949) 10.673 3.888 ( -0.905 -2.261 0.357) 2.462 3.888 ( 0.905 -2.261 0.357) 2.462 4.415 ( -4.347 -6.527 7.280) 10.701 4.415 ( 4.347 -6.527 7.280) 10.701 4.773 ( -3.431 -4.538 1.360) 5.849 4.773 ( 3.431 -4.538 1.360) 5.849 5.127 ( -15.435 13.620 -1.565) 20.644 5.127 ( 15.435 13.620 -1.565) 20.644 5.348 ( -7.155 1.298 8.939) 11.523 5.348 ( 7.155 1.298 8.939) 11.523 5.643 ( -2.804 -4.815 12.606) 13.783 5.643 ( 2.804 -4.815 12.606) 13.783 5.872 ( -5.380 -8.641 5.520) 11.580 5.872 ( 5.380 -8.641 5.520) 11.580 6.095 ( -9.128 -10.184 7.498) 15.597 6.095 ( 9.128 -10.184 7.498) 15.597 7.760 ( -7.042 10.568 -10.439) 16.439 7.760 ( 7.042 10.568 -10.439) 16.439 9.146 ( -5.957 3.563 -12.409) 14.219 9.146 ( 5.957 3.564 -12.409) 14.219 9.572 ( -1.438 2.699 6.701) 7.366 9.572 ( 1.438 2.699 6.701) 7.366 10.211 ( -4.149 -2.372 -11.170) 12.150 10.211 ( 4.149 -2.372 -11.170) 12.150 10.506 ( -3.039 8.091 -1.806) 8.830 10.506 ( 3.039 8.091 -1.806) 8.830 10.745 ( -1.884 -0.704 5.411) 5.773 10.745 ( 1.884 -0.704 5.411) 5.773 10.994 ( -14.072 -14.870 2.008) 20.571 10.994 ( 14.072 -14.870 2.008) 20.571 13.228 ( -1.112 8.199 -14.645) 16.821 13.228 ( 1.112 8.199 -14.645) 16.821 18.153 ( -2.337 0.413 18.534) 18.685 18.153 ( 2.337 0.413 18.534) 18.685 18.405 ( -0.348 -0.487 -7.720) 7.743 18.405 ( 0.348 -0.487 -7.720) 7.743 19.741 ( -4.369 -4.398 1.149) 6.305 19.741 ( 4.369 -4.398 1.149) 6.305 20.787 ( -0.334 0.571 -4.461) 4.510 20.787 ( 0.334 0.571 -4.461) 4.510 ======================= Grid point 125 (30/75) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 0.000 -3.608) 3.608 2.070 ( 0.000 0.000 -3.608) 3.608 2.450 ( 0.000 0.000 4.091) 4.091 2.450 ( 0.000 0.000 4.091) 4.091 2.838 ( -0.000 -0.000 -6.676) 6.676 2.838 ( 0.000 0.000 -6.676) 6.676 2.848 ( 0.000 0.000 7.250) 7.250 2.848 ( 0.000 0.000 7.250) 7.250 3.431 ( -0.000 -0.000 16.883) 16.883 3.431 ( 0.000 0.000 16.883) 16.883 3.488 ( -0.000 -0.000 -3.647) 3.647 3.488 ( 0.000 0.000 -3.647) 3.647 3.500 ( 0.000 0.000 1.640) 1.640 3.500 ( 0.000 0.000 1.640) 1.640 3.868 ( 0.000 0.000 -0.225) 0.225 3.868 ( 0.000 0.000 -0.225) 0.225 4.348 ( -0.000 -0.000 11.257) 11.257 4.348 ( 0.000 0.000 11.257) 11.257 4.727 ( 0.000 0.000 -0.744) 0.744 4.727 ( 0.000 0.000 -0.744) 0.744 5.241 ( -0.000 -0.000 7.015) 7.015 5.241 ( 0.000 0.000 7.015) 7.015 5.486 ( -0.000 -0.000 11.183) 11.183 5.486 ( -0.000 -0.000 11.183) 11.183 5.540 ( -0.000 -0.000 -9.093) 9.093 5.540 ( 0.000 0.000 -9.093) 9.093 5.750 ( -0.000 -0.000 11.058) 11.058 5.750 ( 0.000 0.000 11.058) 11.058 5.994 ( -0.000 -0.000 12.884) 12.884 5.994 ( 0.000 0.000 12.884) 12.884 7.866 ( 0.000 0.000 -11.477) 11.477 7.866 ( 0.000 0.000 -11.477) 11.477 9.168 ( 0.000 0.000 -9.017) 9.017 9.168 ( 0.000 0.000 -9.017) 9.017 9.611 ( 0.000 0.000 3.119) 3.119 9.611 ( 0.000 0.000 3.119) 3.119 10.182 ( 0.000 0.000 -10.864) 10.864 10.182 ( 0.000 0.000 -10.864) 10.864 10.634 ( -0.000 -0.000 -1.769) 1.769 10.634 ( 0.000 0.000 -1.769) 1.769 10.725 ( -0.000 -0.000 4.850) 4.850 10.725 ( 0.000 0.000 4.850) 4.850 10.815 ( 0.000 0.000 2.764) 2.764 10.815 ( 0.000 0.000 2.764) 2.764 13.306 ( 0.000 0.000 -15.084) 15.084 13.306 ( 0.000 0.000 -15.084) 15.084 18.157 ( 0.000 0.000 18.542) 18.542 18.157 ( 0.000 0.000 18.542) 18.542 18.400 ( 0.000 0.000 -7.848) 7.848 18.400 ( 0.000 0.000 -7.848) 7.848 19.699 ( 0.000 0.000 1.252) 1.252 19.699 ( 0.000 0.000 1.252) 1.252 20.792 ( 0.000 0.000 -4.324) 4.324 20.792 ( 0.000 0.000 -4.324) 4.324 ======================= Grid point 162 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 0.000 26.319) 26.319 1.048 ( 0.000 -0.000 26.319) 26.319 2.086 ( 0.000 0.000 46.837) 46.837 2.433 ( 0.000 0.000 -7.777) 7.777 2.467 ( -0.000 -0.000 0.130) 0.130 2.545 ( 0.000 0.000 -6.765) 6.765 2.545 ( -0.000 0.000 -6.765) 6.765 2.802 ( 0.000 0.000 -3.699) 3.699 2.802 ( 0.000 0.000 -3.699) 3.699 3.477 ( 0.000 0.000 2.935) 2.935 3.509 ( 0.000 0.000 -0.327) 0.327 3.509 ( 0.000 0.000 -0.327) 0.327 3.648 ( 0.000 0.000 4.926) 4.926 3.818 ( 0.000 0.000 -12.004) 12.004 4.020 ( 0.000 0.000 2.770) 2.770 4.020 ( 0.000 0.000 2.770) 2.770 4.581 ( 0.000 0.000 4.175) 4.175 4.581 ( 0.000 0.000 4.175) 4.175 4.733 ( -0.000 -0.000 0.409) 0.409 5.223 ( -0.000 -0.000 8.176) 8.176 5.254 ( 0.000 0.000 5.660) 5.660 5.331 ( 0.000 0.000 -2.685) 2.685 5.331 ( 0.000 0.000 -2.685) 2.685 5.854 ( 0.000 -0.000 -0.014) 0.014 5.854 ( 0.000 0.000 -0.014) 0.014 6.260 ( 0.000 0.000 -15.064) 15.064 6.372 ( 0.000 0.000 -1.792) 1.792 6.372 ( 0.000 0.000 -1.792) 1.792 6.497 ( 0.000 0.000 2.346) 2.346 6.913 ( 0.000 0.000 1.128) 1.128 7.437 ( 0.000 0.000 9.480) 9.480 8.033 ( 0.000 0.000 17.404) 17.404 8.033 ( 0.000 0.000 17.404) 17.404 8.397 ( 0.000 0.000 -3.372) 3.372 8.795 ( 0.000 0.000 -10.673) 10.673 9.419 ( 0.000 -0.000 -13.275) 13.275 9.419 ( 0.000 0.000 -13.275) 13.275 9.961 ( 0.000 -0.000 1.142) 1.142 9.961 ( 0.000 0.000 1.142) 1.142 10.212 ( 0.000 0.000 -13.437) 13.437 10.682 ( -0.000 -0.000 13.684) 13.684 11.054 ( 0.000 0.000 -1.611) 1.611 11.696 ( 0.000 0.000 12.082) 12.082 11.941 ( 0.000 0.000 2.612) 2.612 12.702 ( 0.000 -0.000 0.817) 0.817 12.702 ( -0.000 -0.000 0.817) 0.817 18.233 ( 0.000 0.000 20.341) 20.341 18.236 ( -0.000 0.000 -10.343) 10.343 18.236 ( 0.000 0.000 -10.343) 10.343 19.703 ( 0.000 0.000 1.097) 1.097 19.703 ( 0.000 0.000 1.097) 1.097 20.497 ( 0.000 0.000 -1.670) 1.670 20.551 ( 0.000 0.000 -13.901) 13.901 20.787 ( 0.000 0.000 0.631) 0.631 ======================= Grid point 163 (32/75) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 12.596 0.000 22.441) 25.734 1.225 ( 15.838 0.000 22.393) 27.428 2.182 ( 10.047 0.000 37.687) 39.004 2.378 ( -4.407 0.000 -6.955) 8.233 2.419 ( -2.303 0.000 -0.747) 2.421 2.617 ( 6.138 0.000 -6.727) 9.106 2.637 ( 6.577 0.000 -2.006) 6.876 2.808 ( 0.589 0.000 -3.918) 3.962 2.871 ( 7.476 0.000 -4.536) 8.745 3.334 ( -14.998 0.000 12.438) 19.484 3.399 ( -5.287 0.000 0.234) 5.292 3.526 ( 1.030 0.000 0.602) 1.193 3.539 ( -0.495 0.000 1.100) 1.207 3.927 ( 6.180 0.000 -3.842) 7.277 4.068 ( 7.462 0.000 -0.900) 7.516 4.194 ( 6.174 0.000 -2.681) 6.731 4.418 ( -12.348 0.000 -0.569) 12.361 4.523 ( -5.652 0.000 2.802) 6.308 4.809 ( 3.224 0.000 1.474) 3.545 5.146 ( -6.394 0.000 7.084) 9.542 5.227 ( -3.033 0.000 3.069) 4.315 5.392 ( 4.694 0.000 -0.978) 4.795 5.465 ( 12.685 0.000 1.252) 12.747 5.855 ( 0.096 0.000 5.662) 5.663 5.968 ( 8.072 0.000 3.138) 8.661 6.159 ( -6.994 0.000 -4.214) 8.166 6.337 ( -3.881 0.000 -0.632) 3.932 6.354 ( -1.131 0.000 -3.441) 3.622 6.824 ( 25.547 0.000 -19.848) 32.351 6.884 ( -3.040 0.000 1.023) 3.207 7.323 ( -7.609 0.000 7.700) 10.826 7.820 ( -16.675 0.000 14.542) 22.126 7.916 ( -10.885 0.000 16.533) 19.795 8.435 ( 2.775 0.000 -2.632) 3.825 8.962 ( 12.223 0.000 -5.031) 13.217 9.459 ( 4.237 0.000 -14.106) 14.728 9.468 ( 4.801 0.000 -13.614) 14.436 10.037 ( 6.784 0.000 -0.343) 6.792 10.177 ( 20.263 0.000 -2.901) 20.470 10.213 ( 0.922 0.000 -12.855) 12.888 10.647 ( -3.487 0.000 13.878) 14.309 11.043 ( -1.566 0.000 -0.026) 1.566 11.715 ( 2.095 0.000 12.245) 12.423 11.854 ( -7.912 0.000 -0.508) 7.928 12.656 ( -4.830 0.000 -0.585) 4.865 12.663 ( -4.269 0.000 0.281) 4.279 18.227 ( 0.019 0.000 -1.775) 1.775 18.240 ( 0.406 0.000 -10.277) 10.285 18.264 ( 2.311 0.000 12.127) 12.346 19.491 ( -19.283 0.000 12.192) 22.814 19.727 ( 2.542 0.000 0.855) 2.682 20.517 ( 1.340 0.000 -3.062) 3.342 20.549 ( -0.228 0.000 -13.654) 13.656 20.679 ( -9.378 0.000 2.023) 9.593 ======================= Grid point 164 (33/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 17.442 0.000 15.389) 23.260 1.533 ( 15.025 0.000 18.349) 23.716 2.287 ( -5.026 0.000 -3.891) 6.355 2.379 ( 0.083 0.000 -0.946) 0.950 2.447 ( 13.958 0.000 16.656) 21.731 2.745 ( 6.761 0.000 -6.545) 9.410 2.757 ( 5.860 0.000 1.466) 6.041 2.824 ( 1.141 0.000 -4.757) 4.892 3.080 ( 11.294 0.000 -0.828) 11.324 3.167 ( 0.578 0.000 13.016) 13.029 3.313 ( -3.872 0.000 1.488) 4.148 3.550 ( 1.594 0.000 1.194) 1.992 3.550 ( 1.610 0.000 1.508) 2.206 3.974 ( 0.535 0.000 3.071) 3.117 4.144 ( -11.073 0.000 -0.007) 11.073 4.224 ( -0.856 0.000 -0.568) 1.027 4.261 ( -1.976 0.000 -3.931) 4.400 4.467 ( 7.106 0.000 -1.501) 7.263 4.829 ( -0.303 0.000 2.187) 2.208 5.003 ( -9.229 0.000 6.213) 11.125 5.120 ( -7.977 0.000 0.048) 7.977 5.492 ( 5.892 0.000 0.374) 5.904 5.721 ( 10.283 0.000 9.894) 14.270 5.860 ( 0.764 0.000 15.248) 15.267 5.921 ( -9.510 0.000 3.675) 10.195 6.123 ( -2.354 0.000 2.854) 3.699 6.282 ( 1.510 0.000 -2.094) 2.581 6.373 ( 4.070 0.000 -5.203) 6.606 6.799 ( -5.902 0.000 0.257) 5.907 6.917 ( -8.654 0.000 -3.398) 9.297 7.452 ( -9.813 0.000 3.237) 10.333 7.640 ( 21.301 0.000 -11.940) 24.419 7.670 ( -14.500 0.000 15.913) 21.529 8.473 ( 0.974 0.000 -3.460) 3.594 9.175 ( 10.578 0.000 0.554) 10.593 9.571 ( 7.254 0.000 -15.283) 16.917 9.575 ( 5.781 0.000 -14.696) 15.792 10.096 ( -1.673 0.000 -10.580) 10.712 10.314 ( 8.125 0.000 -0.745) 8.159 10.579 ( 18.486 0.000 -2.286) 18.627 10.585 ( -0.774 0.000 11.621) 11.647 10.974 ( -6.108 0.000 4.076) 7.343 11.725 ( -3.331 0.000 -10.672) 11.179 11.778 ( 4.684 0.000 11.979) 12.862 12.522 ( -9.267 0.000 -4.592) 10.342 12.538 ( -8.874 0.000 -0.379) 8.882 18.232 ( 0.433 0.000 -7.066) 7.079 18.248 ( 0.387 0.000 -10.175) 10.183 18.324 ( 4.168 0.000 18.456) 18.920 19.105 ( -19.439 0.000 24.109) 30.969 19.799 ( 5.115 0.000 0.339) 5.126 20.465 ( -9.714 0.000 3.628) 10.369 20.544 ( -0.247 0.000 -12.960) 12.963 20.554 ( -0.600 0.000 -7.437) 7.461 ======================= Grid point 165 (34/75) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 9.736 0.000 12.833) 16.108 1.780 ( 13.322 0.000 8.385) 15.741 2.204 ( -2.904 0.000 2.408) 3.772 2.336 ( -4.106 0.000 2.863) 5.006 2.704 ( 10.552 0.000 -0.823) 10.584 2.824 ( 0.985 0.000 -5.693) 5.777 2.859 ( 5.420 0.000 -2.082) 5.806 2.875 ( 4.288 0.000 -6.277) 7.601 3.091 ( -0.811 0.000 8.431) 8.470 3.239 ( -4.494 0.000 5.018) 6.736 3.499 ( 21.827 0.000 6.743) 22.845 3.584 ( 1.921 0.000 0.984) 2.159 3.602 ( 4.164 0.000 4.437) 6.085 3.959 ( -6.901 0.000 0.465) 6.917 3.967 ( -1.566 0.000 4.656) 4.912 4.067 ( -10.182 0.000 -1.990) 10.375 4.243 ( 0.683 0.000 -4.127) 4.183 4.658 ( -4.741 0.000 3.209) 5.725 4.820 ( 1.016 0.000 1.556) 1.858 4.825 ( 0.342 0.000 4.552) 4.565 4.996 ( -2.399 0.000 2.453) 3.431 5.546 ( -18.682 0.000 10.963) 21.661 5.615 ( 7.255 0.000 4.293) 8.430 5.907 ( 4.582 0.000 15.426) 16.092 5.950 ( -5.287 0.000 1.975) 5.644 6.032 ( 2.144 0.000 10.812) 11.022 6.340 ( 3.245 0.000 0.768) 3.334 6.512 ( 9.355 0.000 -0.731) 9.384 6.670 ( -6.689 0.000 -3.172) 7.403 6.864 ( 3.926 0.000 -6.293) 7.418 7.152 ( -15.819 0.000 11.208) 19.387 7.385 ( -15.380 0.000 13.954) 20.767 8.090 ( 19.604 0.000 -17.761) 26.454 8.461 ( -2.600 0.000 -6.157) 6.684 9.378 ( 11.137 0.000 -0.219) 11.139 9.649 ( 0.757 0.000 -14.408) 14.428 9.720 ( 8.208 0.000 -14.767) 16.895 10.017 ( -6.366 0.000 -12.669) 14.178 10.386 ( 2.135 0.000 11.827) 12.018 10.702 ( -8.158 0.000 6.344) 10.334 10.704 ( 10.734 0.000 2.417) 11.003 10.901 ( 1.475 0.000 4.721) 4.946 11.784 ( 9.199 0.000 -18.308) 20.489 11.896 ( 7.711 0.000 9.720) 12.407 12.314 ( -12.378 0.000 -10.606) 16.300 12.340 ( -11.620 0.000 -0.027) 11.620 18.241 ( 0.502 0.000 -9.310) 9.324 18.252 ( 0.034 0.000 -10.147) 10.147 18.424 ( 6.456 0.000 22.337) 23.251 18.790 ( -13.884 0.000 26.543) 29.955 19.919 ( 7.527 0.000 0.042) 7.527 20.268 ( -10.455 0.000 1.736) 10.598 20.541 ( -0.016 0.000 -11.920) 11.920 20.550 ( -0.276 0.000 -9.127) 9.131 ======================= Grid point 166 (35/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -2.156 0.000 5.811) 6.198 1.890 ( 2.156 0.000 5.811) 6.198 2.231 ( -5.723 0.000 6.937) 8.993 2.231 ( 5.723 0.000 6.937) 8.993 2.815 ( -2.248 0.000 -6.016) 6.423 2.815 ( 2.248 0.000 -6.016) 6.423 2.927 ( -0.220 0.000 -4.791) 4.796 2.927 ( 0.220 0.000 -4.791) 4.796 3.134 ( -5.769 0.000 7.596) 9.538 3.134 ( 5.769 0.000 7.596) 9.538 3.614 ( -0.673 0.000 0.796) 1.042 3.614 ( 0.673 0.000 0.796) 1.042 3.868 ( -11.215 0.000 8.743) 14.220 3.868 ( 11.215 0.000 8.743) 14.220 3.926 ( -3.750 0.000 -1.607) 4.079 3.926 ( 3.750 0.000 -1.607) 4.079 4.364 ( -14.159 0.000 -1.545) 14.243 4.364 ( 14.159 0.000 -1.545) 14.243 4.848 ( -1.937 0.000 6.128) 6.427 4.848 ( 1.937 0.000 6.128) 6.427 5.187 ( -18.122 0.000 5.628) 18.976 5.187 ( 18.122 0.000 5.628) 18.976 5.774 ( -9.611 0.000 6.569) 11.641 5.774 ( 9.611 0.000 6.569) 11.641 6.013 ( -5.282 0.000 12.128) 13.229 6.013 ( 5.282 0.000 12.128) 13.229 6.467 ( -9.169 0.000 0.764) 9.201 6.467 ( 9.169 0.000 0.764) 9.201 6.790 ( -13.816 0.000 -5.402) 14.834 6.790 ( 13.816 0.000 -5.402) 14.834 7.111 ( -12.291 0.000 12.185) 17.307 7.111 ( 12.291 0.000 12.185) 17.307 8.356 ( -9.180 0.000 -11.232) 14.506 8.356 ( 9.180 0.000 -11.232) 14.506 9.574 ( -8.365 0.000 -7.481) 11.222 9.574 ( 8.365 0.000 -7.481) 11.222 9.874 ( -8.131 0.000 -12.807) 15.170 9.874 ( 8.131 0.000 -12.807) 15.170 10.499 ( -9.892 0.000 8.969) 13.353 10.499 ( 9.892 0.000 8.969) 13.353 10.873 ( -5.708 0.000 4.143) 7.053 10.873 ( 5.708 0.000 4.143) 7.053 11.988 ( -6.707 0.000 -6.757) 9.521 11.988 ( 6.707 0.000 -6.757) 9.521 12.148 ( -3.899 0.000 -5.090) 6.412 12.148 ( 3.899 0.000 -5.090) 6.412 18.249 ( -0.325 0.000 -10.030) 10.035 18.249 ( 0.325 0.000 -10.030) 10.035 18.572 ( -9.489 0.000 25.044) 26.781 18.572 ( 9.489 0.000 25.044) 26.781 20.079 ( -9.411 0.000 0.435) 9.421 20.079 ( 9.411 0.000 0.435) 9.421 20.544 ( -0.276 0.000 -10.619) 10.623 20.544 ( 0.276 0.000 -10.619) 10.623 ======================= Grid point 172 (36/75) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.897 8.897 21.558) 24.961 1.385 ( 12.059 12.059 19.744) 26.089 2.275 ( 8.943 8.943 26.883) 29.709 2.324 ( -3.257 -3.257 -5.209) 6.953 2.447 ( 0.015 0.015 -1.316) 1.316 2.644 ( 5.272 5.272 -0.072) 7.456 2.699 ( 3.868 3.868 -3.688) 6.598 2.878 ( 4.616 4.616 -5.156) 8.318 2.888 ( 5.084 5.084 -4.021) 8.237 3.238 ( -6.988 -6.988 13.242) 16.523 3.404 ( -2.908 -2.908 -4.754) 6.286 3.447 ( 0.295 0.295 5.946) 5.960 3.599 ( 1.223 1.223 2.581) 3.107 3.955 ( 1.251 1.251 0.797) 1.941 4.121 ( 7.241 7.241 -5.007) 11.399 4.220 ( -1.045 -1.045 -0.249) 1.499 4.296 ( -7.763 -7.763 -2.262) 11.209 4.516 ( -2.833 -2.833 3.522) 5.335 4.834 ( 1.518 1.518 -0.175) 2.154 5.090 ( -5.562 -5.562 7.084) 10.586 5.245 ( 0.258 0.258 2.523) 2.549 5.364 ( 0.119 0.119 -2.195) 2.201 5.573 ( 9.024 9.024 3.348) 13.194 5.807 ( -1.807 -1.807 -1.759) 3.102 5.993 ( 1.219 1.219 11.616) 11.743 6.095 ( -6.055 -6.055 6.030) 10.473 6.223 ( -4.752 -4.752 6.126) 9.093 6.496 ( 2.069 2.069 -11.447) 11.815 6.850 ( -3.199 -3.199 1.375) 4.728 7.049 ( 19.140 19.140 -24.195) 36.305 7.234 ( -7.038 -7.038 6.282) 11.769 7.615 ( -11.242 -11.242 13.312) 20.736 7.861 ( -8.369 -8.369 13.350) 17.841 8.506 ( 5.132 5.132 -2.853) 7.799 9.075 ( 9.492 9.492 -3.285) 13.820 9.500 ( 4.268 4.268 -14.733) 15.922 9.518 ( 4.689 4.689 -13.926) 15.424 10.139 ( -0.212 -0.212 -11.898) 11.902 10.163 ( 9.012 9.012 2.112) 12.919 10.328 ( 10.945 10.945 -7.522) 17.210 10.612 ( -3.421 -3.421 14.135) 14.940 11.024 ( -2.212 -2.212 1.538) 3.486 11.614 ( -8.194 -8.194 10.358) 15.542 11.928 ( 5.986 5.986 -2.688) 8.882 12.509 ( -10.031 -10.031 0.408) 14.192 12.726 ( 1.045 1.045 -2.291) 2.726 18.233 ( 0.359 0.359 -2.840) 2.886 18.234 ( -0.073 -0.073 -10.323) 10.323 18.286 ( 2.115 2.115 13.640) 13.965 19.363 ( -13.667 -13.667 18.922) 27.048 19.703 ( 0.014 0.014 0.675) 0.675 20.499 ( -4.460 -4.460 -4.762) 7.903 20.546 ( 1.216 1.216 -7.784) 7.972 20.639 ( -2.852 -2.852 -2.982) 5.016 ======================= Grid point 173 (37/75) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 17.044 4.076 15.995) 23.727 1.614 ( 11.462 6.480 16.700) 21.266 2.262 ( -3.358 -1.612 -2.963) 4.760 2.420 ( -0.416 3.418 -0.607) 3.496 2.476 ( 9.021 2.193 6.485) 11.325 2.756 ( 4.723 0.786 0.635) 4.830 2.772 ( 3.781 0.879 -2.684) 4.719 2.938 ( 4.314 11.651 -3.607) 12.937 3.109 ( 7.454 2.792 2.159) 8.248 3.169 ( 7.976 1.218 11.556) 14.094 3.334 ( -2.930 1.521 -2.334) 4.043 3.505 ( 4.248 -0.416 4.793) 6.418 3.593 ( -0.980 0.374 3.251) 3.416 3.964 ( -0.026 -0.951 2.948) 3.098 4.073 ( -8.767 -4.830 0.945) 10.054 4.241 ( -2.774 -0.094 1.010) 2.954 4.242 ( -0.569 -0.852 -3.334) 3.487 4.499 ( 6.794 1.999 0.076) 7.082 4.841 ( -0.473 1.183 0.542) 1.384 4.955 ( -8.620 -4.986 5.764) 11.506 5.171 ( -7.644 4.835 -0.509) 9.059 5.436 ( 6.025 -5.810 -1.048) 8.435 5.754 ( 7.194 2.114 9.861) 12.388 5.769 ( -4.800 -2.386 8.412) 9.975 5.930 ( -5.077 -2.188 10.135) 11.544 6.076 ( 5.113 -7.502 4.379) 10.080 6.131 ( -4.818 -5.131 8.330) 10.906 6.471 ( -2.772 0.074 -5.365) 6.039 6.761 ( -6.068 -3.990 0.480) 7.278 6.992 ( -8.348 5.037 0.071) 9.750 7.225 ( -9.117 -16.227 7.641) 20.120 7.622 ( -10.130 -0.744 8.602) 13.310 7.798 ( 22.134 10.743 -17.068) 29.944 8.580 ( 2.379 8.474 -4.667) 9.962 9.249 ( 8.547 6.919 -0.109) 10.997 9.611 ( 6.117 4.011 -15.213) 16.880 9.619 ( 6.224 4.272 -15.165) 16.940 10.095 ( -3.133 -0.553 -12.870) 13.258 10.359 ( 7.417 4.806 3.054) 9.351 10.550 ( 1.737 -2.385 10.312) 10.726 10.592 ( 12.235 0.673 -1.002) 12.295 10.946 ( -6.052 -2.944 4.771) 8.249 11.474 ( -4.974 -12.893 4.632) 14.575 12.059 ( 7.425 15.788 -6.313) 18.554 12.287 ( -12.928 -14.391 -1.237) 19.385 12.700 ( -3.700 6.792 -5.297) 9.375 18.233 ( 0.138 -0.024 -8.977) 8.978 18.244 ( 0.445 -0.245 -8.556) 8.571 18.343 ( 3.946 1.882 19.108) 19.601 19.057 ( -16.513 -5.128 26.088) 31.298 19.747 ( 4.301 -3.962 0.375) 5.860 20.364 ( -8.974 -7.926 -0.045) 11.973 20.569 ( 0.810 1.994 -8.000) 8.284 20.602 ( -1.235 2.586 -9.425) 9.851 ======================= Grid point 174 (38/75) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 11.280 2.934 10.876) 15.942 1.809 ( 10.496 2.954 9.066) 14.180 2.209 ( -1.206 0.822 2.955) 3.296 2.374 ( -4.103 3.703 3.081) 6.327 2.647 ( 8.345 -2.871 -4.283) 9.810 2.811 ( 0.927 -1.606 -5.472) 5.778 2.841 ( 3.887 -0.652 -1.033) 4.074 2.992 ( -0.496 7.214 -3.469) 8.020 3.117 ( 1.519 3.400 7.052) 7.975 3.263 ( -3.476 2.258 2.082) 4.639 3.536 ( 15.360 -0.409 5.351) 16.271 3.579 ( 4.833 2.605 0.583) 5.521 3.619 ( 6.100 2.120 7.652) 10.013 3.927 ( -4.059 0.813 7.082) 8.204 3.981 ( -1.035 -0.602 1.281) 1.753 4.093 ( -8.941 0.908 0.712) 9.015 4.230 ( 1.642 -0.740 -4.957) 5.274 4.684 ( -1.253 1.597 5.037) 5.431 4.763 ( -3.295 -3.454 1.252) 4.935 4.854 ( 1.726 1.103 3.042) 3.667 5.022 ( -4.395 2.839 1.409) 5.419 5.472 ( -11.430 -7.334 5.804) 14.769 5.617 ( 1.357 -0.368 9.822) 9.922 5.809 ( 0.500 -5.732 18.782) 19.644 5.931 ( -1.557 -2.091 2.735) 3.778 6.046 ( -2.218 -1.171 11.469) 11.740 6.224 ( 8.894 -8.758 -0.600) 12.496 6.471 ( 4.502 -5.993 3.734) 8.374 6.628 ( -7.174 -4.484 -2.106) 8.718 6.922 ( -3.930 -12.161 15.616) 20.179 7.028 ( -5.684 6.049 -8.579) 11.937 7.373 ( -13.685 1.015 9.102) 16.467 8.231 ( 19.266 12.230 -18.894) 29.627 8.589 ( -1.753 10.926 -7.647) 13.451 9.411 ( 8.966 3.315 -0.503) 9.572 9.663 ( -0.563 1.417 -13.621) 13.706 9.766 ( 7.886 4.495 -15.076) 17.597 10.018 ( -5.161 0.108 -13.402) 14.362 10.390 ( 0.698 0.443 12.292) 12.320 10.663 ( -6.913 -3.699 6.026) 9.888 10.703 ( 10.074 -0.079 2.299) 10.333 10.890 ( 1.835 -1.233 4.553) 5.061 11.478 ( 6.120 -17.156 -1.196) 18.255 11.984 ( -15.395 -15.747 -1.204) 22.055 12.249 ( 9.002 17.067 -10.550) 21.991 12.592 ( -7.439 12.445 -8.360) 16.736 18.238 ( 0.373 -0.351 -9.762) 9.775 18.248 ( -0.001 -0.376 -9.859) 9.866 18.438 ( 6.160 1.433 22.823) 23.683 18.780 ( -12.621 -1.124 27.122) 29.935 19.855 ( 7.005 -5.658 0.117) 9.006 20.184 ( -9.714 -7.522 0.480) 12.296 20.577 ( 0.150 2.563 -9.281) 9.630 20.586 ( -0.567 3.140 -10.423) 10.901 ======================= Grid point 175 (39/75) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.004 1.892 5.218) 5.901 1.909 ( 2.004 1.892 5.218) 5.901 2.266 ( -6.472 3.593 7.077) 10.241 2.266 ( 6.472 3.593 7.077) 10.241 2.778 ( -4.746 -2.860 -5.957) 8.136 2.778 ( 4.746 -2.860 -5.957) 8.136 2.923 ( -4.877 -0.355 -2.582) 5.529 2.923 ( 4.877 -0.355 -2.582) 5.529 3.184 ( -4.495 4.318 4.482) 7.677 3.184 ( 4.495 4.318 4.482) 7.677 3.625 ( -1.634 1.382 1.155) 2.432 3.625 ( 1.634 1.382 1.155) 2.432 3.826 ( -7.649 -2.546 6.938) 10.636 3.826 ( 7.649 -2.546 6.938) 10.636 3.991 ( -2.751 3.444 2.822) 5.233 3.991 ( 2.751 3.444 2.822) 5.233 4.395 ( -16.207 4.136 -2.814) 16.962 4.395 ( 16.207 4.136 -2.814) 16.962 4.832 ( -3.481 -1.311 6.141) 7.179 4.832 ( 3.481 -1.311 6.141) 7.179 5.170 ( -15.904 -2.441 6.614) 17.397 5.170 ( 15.904 -2.441 6.614) 17.397 5.732 ( -7.268 -3.975 9.995) 12.982 5.732 ( 7.268 -3.975 9.995) 12.982 5.967 ( -5.369 -3.828 10.033) 12.005 5.967 ( 5.369 -3.828 10.033) 12.005 6.413 ( -10.050 -5.137 0.995) 11.330 6.413 ( 10.050 -5.137 0.995) 11.330 6.707 ( -13.017 -11.480 5.735) 18.279 6.707 ( 13.017 -11.480 5.735) 18.279 7.134 ( -10.956 6.264 2.094) 12.793 7.134 ( 10.956 6.264 2.094) 12.793 8.494 ( -8.906 12.159 -12.650) 19.677 8.494 ( 8.906 12.159 -12.650) 19.677 9.578 ( -7.842 0.493 -6.574) 10.244 9.578 ( 7.842 0.493 -6.574) 10.244 9.904 ( -6.714 2.872 -13.681) 15.508 9.904 ( 6.714 2.872 -13.681) 15.508 10.480 ( -8.730 -1.707 8.811) 12.521 10.480 ( 8.730 -1.707 8.811) 12.521 10.866 ( -5.432 -0.666 4.021) 6.791 10.866 ( 5.432 -0.666 4.021) 6.791 11.688 ( -14.735 -19.062 -2.374) 24.209 11.688 ( 14.735 -19.062 -2.374) 24.209 12.430 ( -9.501 16.925 -10.450) 22.043 12.430 ( 9.501 16.925 -10.450) 22.043 18.245 ( -0.323 -0.449 -10.067) 10.083 18.245 ( 0.323 -0.449 -10.067) 10.083 18.579 ( -8.925 0.610 25.414) 26.942 18.579 ( 8.925 0.610 25.414) 26.942 20.007 ( -8.882 -6.704 0.168) 11.129 20.007 ( 8.882 -6.704 0.168) 11.129 20.579 ( -0.174 2.943 -10.112) 10.533 20.579 ( 0.174 2.943 -10.112) 10.533 ======================= Grid point 182 (40/75) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 12.256 12.256 13.287) 21.839 1.748 ( 7.297 7.297 13.654) 17.115 2.237 ( -0.972 -0.972 -0.900) 1.642 2.469 ( 1.181 1.181 1.871) 2.508 2.536 ( 4.315 4.315 -4.242) 7.432 2.762 ( 0.103 0.103 -2.633) 2.637 2.798 ( 1.972 1.972 -1.285) 3.070 3.141 ( 0.962 0.962 9.045) 9.147 3.152 ( 7.774 7.774 -3.143) 11.435 3.279 ( 7.633 7.633 6.954) 12.841 3.340 ( -0.607 -0.607 -7.845) 7.892 3.561 ( 6.538 6.538 5.766) 10.896 3.587 ( 1.714 1.714 9.621) 9.922 3.941 ( -1.218 -1.218 1.506) 2.289 4.018 ( -0.788 -0.788 7.762) 7.842 4.201 ( -5.455 -5.455 2.900) 8.242 4.218 ( -1.045 -1.045 -3.140) 3.471 4.554 ( 5.155 5.155 1.726) 7.491 4.829 ( -7.802 -7.802 5.070) 12.143 4.855 ( 0.170 0.170 0.458) 0.517 5.261 ( 0.504 0.504 -1.195) 1.391 5.324 ( -2.272 -2.272 1.593) 3.586 5.714 ( -6.145 -6.145 4.076) 9.599 5.834 ( -4.865 -4.865 16.711) 18.072 5.846 ( 3.510 3.510 6.132) 7.889 5.925 ( -3.629 -3.629 16.341) 17.128 6.087 ( -0.885 -0.885 8.325) 8.419 6.385 ( -6.766 -6.766 -0.164) 9.570 6.652 ( -7.490 -7.490 0.657) 10.613 6.832 ( -14.600 -14.600 16.422) 26.382 7.160 ( 3.208 3.208 -4.634) 6.485 7.574 ( -4.796 -4.796 2.697) 7.300 8.100 ( 20.142 20.142 -21.862) 35.908 8.722 ( 5.962 5.962 -7.137) 11.046 9.385 ( 6.494 6.494 -1.360) 9.284 9.689 ( 2.830 2.830 -14.273) 14.824 9.728 ( 7.132 7.132 -15.372) 18.385 10.068 ( -2.222 -2.222 -15.076) 15.400 10.434 ( -0.427 -0.427 12.992) 13.006 10.555 ( 6.304 6.304 4.810) 10.130 10.616 ( 1.474 1.474 0.091) 2.086 10.869 ( -4.343 -4.343 4.882) 7.845 11.276 ( -7.718 -7.718 5.284) 12.127 11.982 ( -17.060 -17.060 -0.370) 24.129 12.344 ( 13.395 13.395 -13.609) 23.325 12.786 ( 2.318 2.318 -9.020) 9.597 18.230 ( -0.161 -0.161 -10.277) 10.279 18.242 ( -0.031 -0.031 -8.694) 8.694 18.394 ( 3.509 3.509 21.558) 22.122 18.919 ( -8.958 -8.958 28.549) 31.234 19.704 ( 0.090 0.090 0.011) 0.128 20.199 ( -9.242 -9.242 -0.124) 13.070 20.603 ( 1.436 1.436 -8.477) 8.717 20.631 ( 0.684 0.684 -9.791) 9.839 ======================= Grid point 183 (41/75) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 6.362 4.705 8.701) 11.761 1.889 ( 9.705 5.797 6.037) 12.816 2.244 ( 2.924 3.153 5.187) 6.738 2.458 ( -2.699 4.614 3.657) 6.477 2.626 ( 5.286 0.416 -6.764) 8.595 2.769 ( 0.204 -2.510 -5.259) 5.831 2.843 ( 2.854 1.023 0.194) 3.038 3.094 ( -8.083 4.418 4.579) 10.287 3.211 ( 2.169 4.942 -0.217) 5.401 3.308 ( -1.756 2.016 -5.477) 6.095 3.446 ( 10.949 -5.821 0.925) 12.434 3.661 ( 4.274 4.312 15.535) 16.679 3.715 ( 5.712 6.244 2.889) 8.942 3.920 ( -2.662 -2.690 2.807) 4.712 3.999 ( -3.965 0.419 10.578) 11.304 4.064 ( -5.355 -4.112 4.425) 8.073 4.279 ( 10.171 8.858 -6.577) 15.006 4.680 ( -7.688 -4.424 5.071) 10.218 4.685 ( 7.513 -1.526 7.512) 10.734 4.877 ( 3.199 0.325 2.336) 3.974 5.119 ( -10.356 7.909 -0.877) 13.060 5.308 ( -8.931 -9.024 8.261) 15.147 5.579 ( -0.395 -4.574 9.963) 10.970 5.738 ( -4.576 -2.250 18.282) 18.980 5.880 ( -1.077 -4.121 3.980) 5.830 5.932 ( -0.070 -8.955 10.692) 13.947 6.131 ( 6.331 -0.566 6.587) 9.154 6.310 ( 0.822 -9.218 10.044) 13.658 6.495 ( -8.436 -10.267 1.599) 13.384 6.608 ( -9.649 -13.971 17.667) 24.503 7.220 ( 3.699 9.452 -8.223) 13.063 7.452 ( -7.520 5.860 -5.365) 10.939 8.477 ( 17.930 13.213 -17.858) 28.548 8.791 ( 0.922 9.445 -10.128) 13.880 9.489 ( 5.048 4.445 -2.091) 7.044 9.688 ( -3.129 0.634 -10.477) 10.953 9.863 ( 6.543 4.845 -14.746) 16.844 10.019 ( -2.713 0.040 -15.074) 15.316 10.409 ( -0.144 1.894 11.129) 11.290 10.579 ( -5.971 -4.479 5.720) 9.404 10.720 ( 8.744 2.284 2.466) 9.367 10.855 ( 2.694 -2.452 3.834) 5.289 11.197 ( 0.358 -12.431 3.076) 12.811 11.649 ( -17.807 -18.351 -0.521) 25.576 12.564 ( 9.809 14.703 -15.957) 23.812 12.788 ( -1.982 8.136 -12.612) 15.139 18.229 ( 0.143 -0.457 -10.193) 10.205 18.240 ( -0.238 -0.483 -9.806) 9.820 18.476 ( 5.256 2.603 24.121) 24.823 18.745 ( -8.904 -2.625 28.183) 29.672 19.751 ( 4.585 -4.417 -0.012) 6.367 20.024 ( -9.007 -8.783 0.040) 12.581 20.622 ( 0.623 1.964 -9.071) 9.302 20.635 ( -0.145 1.844 -9.850) 10.022 ======================= Grid point 184 (42/75) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -1.811 2.874 3.419) 4.820 1.956 ( 1.811 2.874 3.419) 4.820 2.361 ( -7.305 6.255 7.235) 12.035 2.361 ( 7.305 6.255 7.235) 12.035 2.731 ( -4.735 -2.002 -6.270) 8.108 2.731 ( 4.735 -2.002 -6.270) 8.108 2.928 ( -7.040 1.286 1.164) 7.251 2.928 ( 7.040 1.286 1.164) 7.251 3.263 ( -2.836 3.662 -1.768) 4.958 3.263 ( 2.836 3.662 -1.768) 4.958 3.657 ( -8.036 0.864 3.850) 8.952 3.657 ( 8.036 0.864 3.850) 8.952 3.785 ( -5.163 -1.360 7.872) 9.512 3.785 ( 5.163 -1.360 7.872) 9.512 3.996 ( -2.774 -2.868 5.285) 6.622 3.996 ( 2.774 -2.868 5.285) 6.622 4.517 ( -10.981 6.684 -0.138) 12.855 4.517 ( 10.981 6.684 -0.138) 12.855 4.844 ( -9.781 4.472 4.506) 11.661 4.844 ( 9.781 4.472 4.506) 11.661 5.079 ( -10.325 -6.747 8.932) 15.229 5.079 ( 10.325 -6.747 8.932) 15.229 5.652 ( -4.973 -4.209 14.201) 15.624 5.652 ( 4.973 -4.209 14.201) 15.624 5.886 ( -2.767 -5.299 5.885) 8.389 5.886 ( 2.767 -5.299 5.885) 8.389 6.287 ( -8.187 -7.757 6.337) 12.937 6.287 ( 8.187 -7.757 6.337) 12.937 6.449 ( -6.663 -12.362 14.038) 19.856 6.449 ( 6.663 -12.362 14.038) 19.856 7.315 ( -6.435 10.694 -9.202) 15.507 7.315 ( 6.435 10.694 -9.202) 15.507 8.729 ( -8.194 11.452 -13.902) 19.787 8.729 ( 8.194 11.452 -13.902) 19.787 9.592 ( -5.926 0.995 -4.723) 7.643 9.592 ( 5.926 0.995 -4.723) 7.643 9.961 ( -3.855 2.324 -14.735) 15.407 9.961 ( 3.855 2.324 -14.735) 15.407 10.457 ( -5.269 0.204 7.487) 9.158 10.457 ( 5.269 0.204 7.487) 9.158 10.850 ( -4.306 -0.955 3.786) 5.813 10.850 ( 4.306 -0.955 3.786) 5.813 11.338 ( -13.829 -17.623 0.270) 22.403 11.338 ( 13.829 -17.623 0.270) 22.403 12.713 ( -5.984 12.648 -15.218) 20.673 12.713 ( 5.984 12.648 -15.218) 20.673 18.234 ( -0.323 -0.612 -10.141) 10.165 18.234 ( 0.323 -0.612 -10.141) 10.165 18.593 ( -7.155 0.820 26.344) 27.311 18.593 ( 7.155 0.820 26.344) 27.311 19.867 ( -7.460 -7.263 0.067) 10.412 19.867 ( 7.460 -7.263 0.067) 10.412 20.630 ( -0.324 2.168 -9.559) 9.808 20.630 ( 0.324 2.168 -9.560) 9.808 ======================= Grid point 192 (43/75) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 3.736 3.736 4.664) 7.047 1.990 ( 3.459 3.459 1.170) 5.030 2.346 ( 7.733 7.733 8.796) 14.035 2.521 ( 1.259 1.259 4.388) 4.735 2.652 ( 2.204 2.204 -7.252) 7.894 2.731 ( -1.220 -1.220 -6.182) 6.418 2.879 ( 2.871 2.871 2.425) 4.729 3.118 ( -5.034 -5.034 8.140) 10.814 3.274 ( 3.195 3.195 -3.328) 5.612 3.331 ( 0.647 0.647 -9.237) 9.282 3.420 ( 5.056 5.056 -1.589) 7.324 3.744 ( 3.892 3.892 21.435) 22.131 3.794 ( 1.887 1.887 6.028) 6.592 3.842 ( -8.161 -8.161 2.247) 11.758 3.913 ( -4.619 -4.619 -0.001) 6.532 3.986 ( -3.863 -3.863 12.185) 13.354 4.550 ( 15.406 15.406 -3.716) 22.103 4.603 ( -2.228 -2.228 8.091) 8.683 4.676 ( 0.813 0.813 15.983) 16.024 4.899 ( 4.374 4.374 2.808) 6.793 5.103 ( -10.169 -10.169 13.412) 19.665 5.297 ( 1.819 1.819 -3.362) 4.234 5.447 ( -3.813 -3.813 5.035) 7.378 5.715 ( -3.645 -3.645 12.810) 13.808 5.720 ( -5.711 -5.711 12.454) 14.843 5.836 ( -4.757 -4.757 2.843) 7.303 6.157 ( 2.121 2.121 14.396) 14.705 6.186 ( -2.559 -2.559 17.088) 17.467 6.295 ( -7.778 -7.778 11.872) 16.184 6.419 ( -8.089 -8.089 12.390) 16.863 7.375 ( 7.190 7.190 -12.446) 16.071 7.525 ( 0.984 0.984 -15.859) 15.920 8.721 ( 12.202 12.202 -13.987) 22.212 8.921 ( 3.630 3.630 -12.008) 13.059 9.561 ( 3.026 3.026 -3.664) 5.633 9.670 ( -2.548 -2.548 -5.431) 6.517 9.924 ( 2.033 2.033 -13.329) 13.635 10.013 ( -1.232 -1.232 -15.365) 15.463 10.464 ( 3.517 3.517 6.706) 8.349 10.526 ( -0.691 -0.691 4.254) 4.364 10.794 ( 4.575 4.575 3.700) 7.453 10.814 ( -0.371 -0.371 2.801) 2.850 11.011 ( -6.949 -6.949 3.960) 10.595 11.311 ( -16.975 -16.975 0.366) 24.009 12.787 ( 8.831 8.831 -18.582) 22.389 12.894 ( 2.942 2.942 -16.285) 16.808 18.223 ( -0.156 -0.156 -10.228) 10.230 18.231 ( -0.454 -0.454 -10.063) 10.083 18.534 ( 3.513 3.513 25.761) 26.236 18.683 ( -3.856 -3.856 28.359) 28.878 19.709 ( 0.144 0.144 -0.141) 0.248 19.869 ( -7.426 -7.426 0.090) 10.502 20.648 ( 0.888 0.888 -9.094) 9.181 20.656 ( 0.503 0.503 -9.480) 9.507 ======================= Grid point 193 (44/75) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -1.363 2.109 1.138) 2.757 2.006 ( 1.363 2.109 1.138) 2.757 2.485 ( -5.231 5.966 6.621) 10.334 2.485 ( 5.231 5.966 6.621) 10.334 2.703 ( -2.505 -0.741 -6.816) 7.300 2.703 ( 2.505 -0.741 -6.816) 7.300 2.971 ( -7.420 2.665 5.259) 9.477 2.971 ( 7.420 2.665 5.259) 9.477 3.324 ( -1.443 3.175 -6.867) 7.701 3.324 ( 1.443 3.175 -6.867) 7.701 3.607 ( -13.018 -5.777 2.036) 14.387 3.607 ( 13.018 -5.777 2.036) 14.387 3.797 ( -1.350 2.042 13.061) 13.289 3.797 ( 1.350 2.042 13.061) 13.289 3.916 ( -3.017 -4.549 6.639) 8.595 3.916 ( 3.017 -4.549 6.639) 8.595 4.604 ( -1.811 3.892 10.874) 11.690 4.604 ( 1.811 3.892 10.874) 11.690 4.882 ( -12.896 -7.041 11.388) 18.589 4.882 ( 12.896 -7.041 11.388) 18.589 5.091 ( -14.331 13.654 -2.109) 19.906 5.091 ( 14.331 13.654 -2.109) 19.906 5.565 ( -8.242 -5.519 11.266) 15.011 5.565 ( 8.242 -5.519 11.266) 15.011 5.741 ( -3.741 -9.602 2.240) 10.545 5.741 ( 3.741 -9.602 2.240) 10.545 6.172 ( -1.886 -3.233 20.120) 20.465 6.172 ( 1.886 -3.233 20.120) 20.465 6.285 ( -5.697 -5.450 12.808) 15.040 6.285 ( 5.697 -5.450 12.808) 15.040 7.488 ( -4.465 6.893 -17.305) 19.155 7.488 ( 4.465 6.893 -17.305) 19.155 8.902 ( -5.880 6.578 -12.533) 15.328 8.902 ( 5.880 6.578 -12.533) 15.328 9.613 ( -2.892 0.989 -3.514) 4.657 9.613 ( 2.892 0.989 -3.514) 4.657 9.969 ( -2.860 -1.246 -13.495) 13.851 9.969 ( 2.860 -1.246 -13.495) 13.851 10.516 ( -1.616 5.996 3.640) 7.198 10.516 ( 1.616 5.996 3.640) 7.198 10.832 ( -2.920 -1.021 3.525) 4.690 10.832 ( 2.920 -1.021 3.525) 4.690 11.036 ( -10.884 -13.926 1.977) 17.785 11.036 ( 10.884 -13.926 1.977) 17.785 12.896 ( -2.781 6.613 -18.496) 19.839 12.896 ( 2.781 6.613 -18.496) 19.839 18.224 ( -0.228 -0.415 -10.191) 10.202 18.224 ( 0.228 -0.415 -10.191) 10.202 18.606 ( -4.072 0.548 27.335) 27.642 18.606 ( 4.072 0.548 27.335) 27.642 19.754 ( -4.441 -4.318 0.006) 6.194 19.754 ( 4.441 -4.318 0.006) 6.194 20.658 ( -0.204 0.863 -9.223) 9.266 20.658 ( 0.204 0.863 -9.223) 9.266 ======================= Grid point 206 (45/75) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 0.000 0.084) 0.084 2.027 ( 0.000 0.000 0.084) 0.084 2.547 ( -0.000 -0.000 5.650) 5.650 2.547 ( 0.000 0.000 5.650) 5.650 2.701 ( -0.000 -0.000 -7.186) 7.186 2.701 ( 0.000 0.000 -7.186) 7.186 3.001 ( 0.000 0.000 7.186) 7.186 3.001 ( 0.000 0.000 7.186) 7.186 3.374 ( -0.000 -0.000 -7.389) 7.389 3.374 ( 0.000 0.000 -7.389) 7.389 3.517 ( 0.000 0.000 -0.129) 0.129 3.517 ( 0.000 0.000 -0.129) 0.129 3.830 ( -0.000 -0.000 23.796) 23.796 3.830 ( 0.000 0.000 23.796) 23.796 3.859 ( -0.000 -0.000 -0.766) 0.766 3.859 ( 0.000 0.000 -0.766) 0.766 4.677 ( -0.000 -0.000 23.147) 23.147 4.677 ( 0.000 0.000 23.147) 23.147 4.765 ( 0.000 0.000 4.523) 4.523 4.765 ( 0.000 0.000 4.523) 4.523 5.376 ( -0.000 -0.000 -8.464) 8.464 5.376 ( 0.000 0.000 -8.464) 8.464 5.387 ( 0.000 0.000 4.232) 4.232 5.387 ( 0.000 0.000 4.232) 4.232 5.629 ( 0.000 0.000 10.082) 10.082 5.629 ( 0.000 0.000 10.082) 10.082 6.150 ( 0.000 0.000 26.236) 26.236 6.150 ( 0.000 0.000 26.236) 26.236 6.233 ( -0.000 -0.000 11.615) 11.615 6.233 ( 0.000 0.000 11.615) 11.615 7.556 ( 0.000 0.000 -20.825) 20.825 7.556 ( 0.000 0.000 -20.825) 20.825 8.967 ( -0.000 -0.000 -11.055) 11.055 8.967 ( 0.000 0.000 -11.055) 11.055 9.623 ( 0.000 0.000 -3.253) 3.253 9.623 ( 0.000 0.000 -3.253) 3.253 9.949 ( 0.000 0.000 -12.805) 12.805 9.949 ( 0.000 0.000 -12.805) 12.805 10.617 ( -0.000 -0.000 0.824) 0.824 10.617 ( -0.000 -0.000 0.824) 0.824 10.804 ( -0.000 -0.000 3.023) 3.023 10.804 ( 0.000 0.000 3.023) 3.023 10.881 ( 0.000 0.000 3.838) 3.838 10.881 ( 0.000 0.000 3.838) 3.838 12.959 ( 0.000 0.000 -19.649) 19.649 12.959 ( 0.000 0.000 -19.649) 19.649 18.220 ( 0.000 0.000 -10.205) 10.205 18.220 ( 0.000 0.000 -10.205) 10.205 18.612 ( 0.000 0.000 27.765) 27.765 18.612 ( 0.000 0.000 27.765) 27.765 19.713 ( 0.000 0.000 -0.054) 0.054 19.713 ( 0.000 0.000 -0.054) 0.054 20.666 ( 0.000 0.000 -9.100) 9.100 20.666 ( 0.000 0.000 -9.100) 9.100 ======================= Grid point 243 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 0.000 23.395) 23.395 1.522 ( 0.000 0.000 23.395) 23.395 2.289 ( 0.000 0.000 -6.730) 6.730 2.400 ( 0.000 0.000 -8.346) 8.346 2.400 ( 0.000 -0.000 -8.346) 8.346 2.469 ( 0.000 0.000 0.128) 0.128 2.707 ( 0.000 -0.000 -6.123) 6.123 2.707 ( 0.000 0.000 -6.123) 6.123 2.798 ( -0.000 -0.000 26.184) 26.184 3.511 ( 0.000 0.000 0.346) 0.346 3.511 ( 0.000 0.000 0.346) 0.346 3.529 ( 0.000 0.000 2.326) 2.326 3.618 ( 0.000 0.000 -8.646) 8.646 3.816 ( 0.000 0.000 13.359) 13.359 4.059 ( -0.000 -0.000 1.754) 1.754 4.059 ( 0.000 0.000 1.754) 1.754 4.690 ( 0.000 0.000 6.128) 6.128 4.690 ( -0.000 0.000 6.128) 6.128 4.738 ( 0.000 0.000 0.071) 0.071 5.246 ( 0.000 0.000 -4.947) 4.947 5.246 ( 0.000 0.000 -4.947) 4.947 5.340 ( 0.000 0.000 3.128) 3.128 5.351 ( 0.000 0.000 5.172) 5.172 5.691 ( 0.000 0.000 -12.071) 12.071 5.691 ( -0.000 -0.000 -12.071) 12.071 6.009 ( -0.000 -0.000 -10.842) 10.842 6.502 ( -0.000 -0.000 -2.057) 2.057 6.600 ( 0.000 0.000 19.208) 19.208 6.600 ( 0.000 -0.000 19.208) 19.208 6.957 ( -0.000 -0.000 3.261) 3.261 7.583 ( 0.000 0.000 5.828) 5.828 8.287 ( 0.000 0.000 8.475) 8.475 8.287 ( -0.000 -0.000 8.475) 8.475 8.339 ( 0.000 0.000 -2.542) 2.542 8.602 ( -0.000 -0.000 -8.713) 8.713 9.142 ( 0.000 0.000 -14.229) 14.229 9.142 ( 0.000 0.000 -14.229) 14.229 9.969 ( -0.000 -0.000 -11.406) 11.406 9.987 ( 0.000 0.000 1.385) 1.385 9.987 ( 0.000 0.000 1.385) 1.385 10.929 ( 0.000 0.000 11.389) 11.389 11.013 ( 0.000 0.000 -2.420) 2.420 11.902 ( 0.000 0.000 9.052) 9.052 11.998 ( 0.000 0.000 3.049) 3.049 12.720 ( 0.000 -0.000 0.951) 0.951 12.720 ( 0.000 0.000 0.951) 0.951 18.054 ( 0.000 0.000 -8.151) 8.151 18.054 ( 0.000 0.000 -8.151) 8.151 18.676 ( 0.000 0.000 25.481) 25.481 19.713 ( 0.000 0.000 0.049) 0.049 19.713 ( 0.000 0.000 0.049) 0.049 20.230 ( -0.000 -0.000 -19.644) 19.644 20.467 ( 0.000 0.000 -1.418) 1.418 20.798 ( 0.000 0.000 0.498) 0.498 ======================= Grid point 244 (47/75) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 7.609 0.000 21.464) 22.773 1.643 ( 11.399 0.000 21.060) 23.947 2.264 ( -1.636 0.000 -4.599) 4.882 2.354 ( -1.657 0.000 -4.223) 4.537 2.464 ( 5.688 0.000 -9.119) 10.747 2.538 ( 2.677 0.000 0.655) 2.756 2.713 ( 0.552 0.000 -5.972) 5.998 2.752 ( 3.733 0.000 -6.675) 7.649 2.843 ( 7.087 0.000 18.270) 19.596 3.373 ( -5.716 0.000 -2.794) 6.362 3.498 ( -1.900 0.000 2.656) 3.265 3.538 ( 0.302 0.000 0.737) 0.796 3.687 ( -6.434 0.000 16.890) 18.074 3.870 ( 16.794 0.000 -1.124) 16.831 4.082 ( 3.484 0.000 1.303) 3.720 4.148 ( 4.040 0.000 -1.551) 4.327 4.392 ( -16.193 0.000 -2.568) 16.396 4.600 ( -9.122 0.000 4.324) 10.095 4.913 ( 4.552 0.000 8.577) 9.710 5.211 ( -3.549 0.000 -0.548) 3.591 5.284 ( -6.978 0.000 3.507) 7.809 5.352 ( 2.522 0.000 -2.924) 3.862 5.419 ( 15.016 0.000 -5.087) 15.855 5.795 ( 9.395 0.000 -7.128) 11.793 5.850 ( 14.019 0.000 -9.323) 16.836 6.054 ( 2.719 0.000 -8.811) 9.221 6.550 ( 0.956 0.000 11.084) 11.125 6.554 ( -4.309 0.000 18.385) 18.883 6.588 ( 4.921 0.000 0.558) 4.952 6.927 ( -3.268 0.000 3.291) 4.638 7.452 ( -11.662 0.000 5.436) 12.867 8.010 ( -18.534 0.000 5.260) 19.266 8.175 ( -8.883 0.000 10.322) 13.618 8.384 ( 1.949 0.000 -2.677) 3.311 8.869 ( 17.562 0.000 -4.353) 18.093 9.169 ( 2.807 0.000 -14.818) 15.082 9.179 ( 3.545 0.000 -15.479) 15.879 9.939 ( -2.296 0.000 -10.154) 10.411 10.083 ( 9.030 0.000 -0.250) 9.033 10.160 ( 17.040 0.000 0.197) 17.041 10.897 ( -3.268 0.000 11.513) 11.968 11.030 ( 1.445 0.000 -1.128) 1.833 11.875 ( -12.162 0.000 2.009) 12.327 11.923 ( 2.168 0.000 9.073) 9.328 12.649 ( -7.449 0.000 -0.186) 7.451 12.674 ( -4.863 0.000 0.677) 4.910 18.054 ( 0.035 0.000 -8.197) 8.197 18.059 ( 0.514 0.000 -8.090) 8.106 18.701 ( 2.603 0.000 25.463) 25.595 19.636 ( -7.731 0.000 4.437) 8.914 19.732 ( 2.136 0.000 -0.136) 2.140 20.234 ( 0.429 0.000 -19.228) 19.232 20.449 ( -1.786 0.000 -3.519) 3.946 20.716 ( -8.076 0.000 1.588) 8.231 ======================= Grid point 245 (48/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 10.722 0.000 16.327) 19.533 1.878 ( 11.572 0.000 17.419) 20.912 2.248 ( 0.174 0.000 -0.021) 0.175 2.345 ( 0.299 0.000 -2.060) 2.082 2.588 ( 7.042 0.000 -9.389) 11.737 2.595 ( 5.015 0.000 2.069) 5.425 2.724 ( 0.571 0.000 -5.744) 5.772 2.759 ( -1.354 0.000 -4.181) 4.394 3.110 ( 16.842 0.000 5.188) 17.623 3.319 ( -0.468 0.000 -0.806) 0.932 3.448 ( -1.094 0.000 9.689) 9.750 3.549 ( 0.989 0.000 -0.504) 1.110 3.658 ( 2.227 0.000 11.790) 11.999 4.040 ( 2.465 0.000 3.870) 4.589 4.118 ( -12.426 0.000 -4.717) 13.291 4.175 ( -0.470 0.000 -1.519) 1.590 4.257 ( 0.107 0.000 3.471) 3.472 4.449 ( 6.919 0.000 -0.960) 6.985 4.955 ( 1.061 0.000 9.657) 9.715 5.081 ( -14.236 0.000 1.781) 14.347 5.141 ( -3.811 0.000 2.336) 4.470 5.442 ( 6.751 0.000 -5.040) 8.425 5.707 ( 14.286 0.000 -6.856) 15.846 5.963 ( -7.370 0.000 -1.374) 7.497 6.000 ( 11.593 0.000 -1.059) 11.641 6.127 ( 6.930 0.000 -0.546) 6.952 6.470 ( -3.470 0.000 14.785) 15.187 6.501 ( -1.654 0.000 19.698) 19.767 6.772 ( 3.370 0.000 -10.290) 10.828 6.830 ( -6.955 0.000 2.910) 7.539 7.327 ( 3.643 0.000 -4.354) 5.677 7.710 ( -10.277 0.000 5.651) 11.728 7.970 ( -12.748 0.000 15.025) 19.704 8.398 ( -0.734 0.000 -4.341) 4.402 9.157 ( 11.371 0.000 -1.494) 11.469 9.256 ( 7.701 0.000 -16.753) 18.439 9.258 ( 4.468 0.000 -17.632) 18.189 9.879 ( -4.135 0.000 -10.814) 11.577 10.310 ( 14.264 0.000 0.263) 14.267 10.554 ( 22.354 0.000 -0.646) 22.364 10.821 ( -4.096 0.000 11.441) 12.152 11.042 ( -1.319 0.000 2.734) 3.036 11.603 ( -14.184 0.000 -3.081) 14.515 11.981 ( 3.890 0.000 8.838) 9.656 12.444 ( -14.066 0.000 -3.388) 14.468 12.542 ( -8.735 0.000 0.540) 8.752 18.056 ( 0.177 0.000 -8.290) 8.292 18.069 ( 0.432 0.000 -8.007) 8.019 18.773 ( 4.977 0.000 25.346) 25.830 19.448 ( -11.333 0.000 13.072) 17.301 19.796 ( 4.664 0.000 -0.530) 4.694 20.247 ( 0.954 0.000 -18.049) 18.074 20.402 ( -3.173 0.000 -7.875) 8.490 20.525 ( -11.236 0.000 2.468) 11.504 ======================= Grid point 246 (49/75) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 7.337 0.000 10.325) 12.667 2.029 ( 4.022 0.000 14.328) 14.882 2.278 ( 3.060 0.000 4.976) 5.842 2.356 ( 0.527 0.000 -0.586) 0.788 2.680 ( 0.772 0.000 -2.155) 2.289 2.691 ( 1.593 0.000 -8.244) 8.396 2.754 ( 4.454 0.000 -5.766) 7.286 2.784 ( 5.951 0.000 -4.597) 7.520 3.262 ( 0.418 0.000 9.610) 9.619 3.330 ( 0.627 0.000 4.255) 4.301 3.564 ( 7.318 0.000 0.822) 7.364 3.576 ( 1.721 0.000 -1.451) 2.251 3.785 ( 14.196 0.000 10.656) 17.750 3.930 ( -6.799 0.000 -4.242) 8.014 4.026 ( -13.857 0.000 -2.409) 14.065 4.066 ( 0.576 0.000 5.286) 5.318 4.168 ( 0.736 0.000 -1.577) 1.741 4.722 ( -15.302 0.000 2.277) 15.471 4.853 ( 17.032 0.000 3.441) 17.376 4.974 ( 1.173 0.000 9.821) 9.890 5.083 ( -1.648 0.000 5.507) 5.748 5.599 ( 9.539 0.000 -4.615) 10.597 5.703 ( -17.893 0.000 6.523) 19.045 5.895 ( 1.403 0.000 -7.156) 7.292 6.199 ( 8.297 0.000 8.966) 12.216 6.199 ( 4.782 0.000 4.323) 6.446 6.470 ( 4.560 0.000 2.106) 5.023 6.485 ( -2.872 0.000 12.787) 13.106 6.669 ( -9.748 0.000 2.226) 9.999 6.744 ( -1.486 0.000 -4.637) 4.869 7.330 ( -3.042 0.000 7.137) 7.759 7.702 ( -15.297 0.000 17.940) 23.577 7.839 ( 18.912 0.000 -8.317) 20.660 8.342 ( -5.667 0.000 -6.123) 8.343 9.287 ( 4.669 0.000 -9.807) 10.862 9.332 ( 2.850 0.000 -17.938) 18.163 9.460 ( 11.352 0.000 -10.036) 15.152 9.783 ( -6.000 0.000 -10.980) 12.513 10.565 ( 10.489 0.000 5.632) 11.905 10.792 ( 3.253 0.000 7.038) 7.753 10.855 ( 0.223 0.000 8.848) 8.851 10.976 ( 0.021 0.000 3.284) 3.284 11.477 ( 4.517 0.000 -13.679) 14.405 12.064 ( 3.329 0.000 7.159) 7.895 12.133 ( -16.836 0.000 -7.602) 18.472 12.362 ( -9.732 0.000 1.718) 9.882 18.061 ( 0.366 0.000 -8.315) 8.323 18.073 ( -0.046 0.000 -8.052) 8.052 18.887 ( 7.135 0.000 24.856) 25.859 19.233 ( -11.028 0.000 19.790) 22.655 19.911 ( 7.528 0.000 -0.755) 7.566 20.271 ( 1.631 0.000 -16.218) 16.300 20.283 ( -10.796 0.000 -1.829) 10.950 20.365 ( -3.922 0.000 -8.273) 9.155 ======================= Grid point 247 (50/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -1.831 0.000 10.076) 10.241 2.045 ( 1.831 0.000 10.076) 10.241 2.341 ( -2.522 0.000 4.281) 4.969 2.341 ( 2.522 0.000 4.281) 4.969 2.684 ( -0.698 0.000 -7.904) 7.935 2.684 ( 0.698 0.000 -7.904) 7.935 2.840 ( -2.076 0.000 -3.540) 4.104 2.840 ( 2.076 0.000 -3.540) 4.104 3.300 ( -3.701 0.000 9.568) 10.259 3.300 ( 3.701 0.000 9.568) 10.259 3.603 ( -0.718 0.000 -1.422) 1.593 3.603 ( 0.718 0.000 -1.422) 1.593 3.861 ( -2.204 0.000 -5.584) 6.004 3.861 ( 2.204 0.000 -5.584) 6.004 4.047 ( -4.623 0.000 9.072) 10.183 4.047 ( 4.623 0.000 9.072) 10.183 4.327 ( -19.453 0.000 -1.996) 19.555 4.327 ( 19.453 0.000 -1.996) 19.555 5.002 ( -1.543 0.000 9.062) 9.193 5.002 ( 1.543 0.000 9.062) 9.193 5.316 ( -21.964 0.000 7.815) 23.313 5.316 ( 21.964 0.000 7.815) 23.313 5.786 ( -9.609 0.000 -4.461) 10.594 5.786 ( 9.609 0.000 -4.461) 10.594 6.292 ( -0.682 0.000 12.812) 12.831 6.292 ( 0.682 0.000 12.812) 12.831 6.477 ( -6.403 0.000 1.715) 6.628 6.477 ( 6.403 0.000 1.715) 6.628 6.642 ( -9.299 0.000 -6.879) 11.566 6.642 ( 9.299 0.000 -6.879) 11.566 7.425 ( -12.354 0.000 18.065) 21.886 7.425 ( 12.354 0.000 18.065) 21.886 8.164 ( -13.633 0.000 -8.878) 16.269 8.164 ( 13.633 0.000 -8.878) 16.269 9.348 ( -1.361 0.000 -14.746) 14.809 9.348 ( 1.361 0.000 -14.746) 14.809 9.648 ( -8.451 0.000 -10.143) 13.202 9.648 ( 8.451 0.000 -10.143) 13.202 10.708 ( -7.843 0.000 11.508) 13.926 10.708 ( 7.843 0.000 11.508) 13.926 10.933 ( -7.596 0.000 2.341) 7.949 10.933 ( 7.596 0.000 2.341) 7.949 11.749 ( -19.860 0.000 -12.797) 23.626 11.749 ( 19.860 0.000 -12.797) 23.626 12.195 ( -7.713 0.000 4.435) 8.897 12.195 ( 7.713 0.000 4.435) 8.897 18.069 ( -0.379 0.000 -8.206) 8.214 18.069 ( 0.379 0.000 -8.206) 8.214 19.041 ( -9.209 0.000 23.355) 25.105 19.041 ( 9.209 0.000 23.355) 25.105 20.078 ( -10.126 0.000 -0.575) 10.142 20.078 ( 10.126 0.000 -0.575) 10.142 20.309 ( -2.425 0.000 -13.611) 13.825 20.309 ( 2.425 0.000 -13.611) 13.825 ======================= Grid point 253 (51/75) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.890 5.890 20.964) 22.558 1.751 ( 8.824 8.824 18.318) 22.165 2.243 ( -1.038 -1.038 -2.712) 3.084 2.396 ( 1.232 1.232 -4.916) 5.216 2.415 ( 0.245 0.245 -3.341) 3.359 2.629 ( 4.339 4.339 -2.878) 6.778 2.734 ( 0.241 0.241 -6.251) 6.260 2.790 ( 5.376 5.376 -6.155) 9.782 2.900 ( 8.219 8.219 13.706) 17.971 3.300 ( -4.754 -4.754 -5.608) 8.755 3.428 ( -3.463 -3.463 5.143) 7.102 3.626 ( 1.547 1.547 7.082) 7.412 3.694 ( 1.862 1.862 13.809) 14.058 3.976 ( 8.243 8.243 1.721) 11.784 4.061 ( 3.605 3.605 -1.566) 5.333 4.207 ( 2.886 2.886 -1.189) 4.251 4.235 ( -11.271 -11.271 -3.402) 16.299 4.615 ( -3.574 -3.574 6.033) 7.870 4.906 ( 0.509 0.509 6.612) 6.651 5.186 ( -5.493 -5.493 2.576) 8.184 5.253 ( -1.399 -1.399 -1.338) 2.389 5.286 ( -0.538 -0.538 -4.819) 4.879 5.592 ( 11.081 11.081 -0.463) 15.677 5.697 ( 0.889 0.889 -6.490) 6.610 6.075 ( 9.753 9.753 -2.993) 14.113 6.099 ( 3.110 3.110 -8.598) 9.658 6.490 ( -5.151 -5.151 17.530) 18.983 6.557 ( -2.291 -2.291 16.893) 17.201 6.694 ( 14.692 14.692 -10.601) 23.326 6.896 ( -3.097 -3.097 3.234) 5.445 7.332 ( -11.003 -11.003 3.977) 16.061 7.826 ( -14.174 -14.174 7.192) 21.296 8.105 ( -7.273 -7.273 11.836) 15.681 8.435 ( 3.173 3.173 -4.560) 6.398 9.008 ( 11.962 11.962 -3.323) 17.240 9.192 ( 2.872 2.872 -15.952) 16.460 9.221 ( 3.685 3.685 -16.283) 17.096 9.919 ( -2.211 -2.211 -10.715) 11.162 10.207 ( 9.798 9.798 2.187) 14.028 10.241 ( 10.951 10.951 -2.391) 15.671 10.866 ( -3.147 -3.147 11.654) 12.475 11.040 ( 0.743 0.743 0.176) 1.065 11.741 ( -11.467 -11.467 3.688) 16.631 11.977 ( 3.659 3.659 5.675) 7.680 12.519 ( -10.413 -10.413 0.584) 14.738 12.690 ( -1.500 -1.500 -1.426) 2.557 18.053 ( -0.047 -0.047 -8.122) 8.122 18.063 ( 0.334 0.334 -8.131) 8.144 18.725 ( 2.562 2.562 25.471) 25.728 19.607 ( -5.091 -5.091 8.385) 11.052 19.705 ( -0.355 -0.355 -0.343) 0.608 20.233 ( -0.217 -0.217 -18.415) 18.418 20.439 ( -1.087 -1.087 -5.473) 5.684 20.649 ( -6.536 -6.536 1.735) 9.405 ======================= Grid point 254 (52/75) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 10.546 3.327 16.558) 19.911 1.923 ( 8.444 3.996 15.351) 17.970 2.244 ( 1.324 0.283 1.367) 1.924 2.385 ( 0.013 3.512 -2.457) 4.287 2.482 ( 4.375 -3.191 -3.563) 6.482 2.693 ( 1.902 2.167 -3.961) 4.900 2.728 ( 0.651 -0.944 -5.366) 5.487 2.873 ( 3.708 12.152 -3.936) 13.301 3.165 ( 13.996 5.290 5.065) 15.796 3.247 ( -0.580 -4.924 -5.172) 7.165 3.396 ( 3.226 -1.788 6.282) 7.285 3.608 ( -2.343 0.384 5.857) 6.320 3.743 ( 2.928 7.636 11.457) 14.077 4.017 ( -0.009 -2.362 1.316) 2.704 4.052 ( -6.110 -3.297 -1.607) 7.126 4.192 ( -0.014 4.113 0.222) 4.119 4.310 ( 1.881 2.412 5.542) 6.330 4.518 ( 5.130 5.045 0.887) 7.249 4.923 ( 0.057 -2.364 6.762) 7.163 5.037 ( -10.216 -4.528 3.172) 11.615 5.163 ( -5.303 2.582 0.327) 5.907 5.375 ( 7.041 -5.420 -5.182) 10.286 5.751 ( 7.739 1.789 -5.662) 9.754 5.852 ( 10.275 -2.431 2.062) 10.758 6.069 ( -5.716 4.411 -0.569) 7.243 6.184 ( 2.252 1.698 2.946) 4.078 6.397 ( -4.119 -6.520 14.758) 16.651 6.506 ( -1.716 -1.975 12.809) 13.073 6.790 ( -6.395 -3.621 2.750) 7.847 6.924 ( -2.822 12.584 -3.843) 13.457 7.242 ( 5.399 -8.012 -3.877) 10.410 7.629 ( -0.271 -3.929 2.133) 4.479 7.924 ( -11.527 -4.974 15.421) 19.885 8.472 ( 0.473 5.953 -6.197) 8.606 9.210 ( 7.050 4.319 -4.246) 9.294 9.293 ( 5.110 3.979 -17.240) 18.417 9.304 ( 8.578 4.952 -15.815) 18.660 9.861 ( -3.819 -1.821 -10.955) 11.744 10.391 ( 11.129 8.180 0.816) 13.836 10.563 ( 19.239 1.119 -0.497) 19.278 10.793 ( -3.859 -2.822 11.576) 12.524 11.033 ( -2.528 -1.219 3.915) 4.817 11.495 ( -12.511 -9.566 -0.703) 15.765 12.060 ( 5.098 6.865 3.774) 9.346 12.272 ( -15.495 -13.460 -0.628) 20.534 12.614 ( -6.235 3.021 -3.490) 7.758 18.054 ( 0.112 -0.208 -8.156) 8.159 18.069 ( 0.214 -0.041 -8.071) 8.074 18.796 ( 4.861 2.404 25.436) 26.008 19.445 ( -10.613 -0.774 15.307) 18.642 19.747 ( 4.137 -4.237 -0.122) 5.923 20.221 ( -1.383 -2.844 -14.983) 15.313 20.409 ( -2.106 0.453 -9.397) 9.640 20.500 ( -8.265 -2.379 -0.186) 8.603 ======================= Grid point 255 (53/75) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 6.692 1.883 10.041) 12.213 2.040 ( 3.452 1.166 13.373) 13.861 2.299 ( 4.303 2.437 5.797) 7.620 2.397 ( 0.666 3.998 -0.624) 4.101 2.573 ( 5.166 -4.785 -3.299) 7.776 2.689 ( -0.601 -0.816 -7.271) 7.342 2.773 ( 2.857 0.889 -5.640) 6.384 2.926 ( 0.386 10.000 -2.775) 10.385 3.248 ( 0.973 -4.830 -0.016) 4.927 3.254 ( -0.183 -2.696 3.977) 4.808 3.564 ( 2.389 0.929 -0.860) 2.704 3.644 ( 9.180 3.358 6.268) 11.612 3.806 ( 4.787 3.264 5.999) 8.340 3.996 ( 4.111 8.816 0.059) 9.728 4.039 ( -2.271 -1.749 2.943) 4.108 4.126 ( -8.080 5.119 2.158) 9.806 4.170 ( -1.740 1.450 2.861) 3.649 4.728 ( -18.273 0.403 -0.358) 18.281 4.860 ( 19.809 1.419 7.553) 21.248 4.963 ( 1.006 -1.256 8.801) 8.947 5.091 ( -1.120 1.074 4.959) 5.196 5.511 ( 4.802 -6.383 -1.789) 8.186 5.759 ( -9.630 2.263 4.812) 11.001 5.900 ( -2.365 0.720 -4.752) 5.357 6.109 ( 8.790 -5.474 5.112) 11.548 6.206 ( 3.672 0.047 7.515) 8.364 6.340 ( -2.642 -8.835 10.371) 13.878 6.504 ( 2.650 -2.592 4.576) 5.890 6.630 ( -10.438 -3.562 1.884) 11.189 6.836 ( -5.529 5.545 -8.403) 11.486 7.222 ( 0.095 -9.311 14.695) 17.397 7.658 ( -14.005 -3.563 17.937) 23.034 7.936 ( 20.759 9.634 -11.745) 25.723 8.438 ( -4.669 8.542 -7.595) 12.347 9.307 ( 4.122 1.940 -10.521) 11.465 9.353 ( 2.012 2.265 -17.984) 18.238 9.503 ( 10.018 4.233 -10.347) 15.011 9.777 ( -5.098 -0.650 -11.207) 12.329 10.587 ( 7.230 2.090 6.542) 9.972 10.773 ( 4.211 -1.768 6.323) 7.800 10.821 ( -0.320 -3.325 8.977) 9.579 10.961 ( 0.702 -1.666 3.102) 3.590 11.373 ( 2.313 -9.082 -8.363) 12.560 11.944 ( -18.528 -14.632 -2.871) 23.783 12.172 ( 6.553 8.730 0.705) 10.938 12.470 ( -8.511 7.043 -4.252) 11.837 18.058 ( 0.318 -0.335 -8.200) 8.213 18.070 ( -0.145 -0.325 -8.066) 8.074 18.907 ( 6.922 2.071 25.086) 26.106 19.240 ( -10.550 0.672 20.847) 23.375 19.852 ( 6.842 -5.470 -0.230) 8.763 20.152 ( -6.524 -7.400 -5.487) 11.289 20.361 ( -2.172 3.319 -12.218) 12.846 20.389 ( -3.007 1.995 -9.185) 9.868 ======================= Grid point 256 (54/75) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -1.653 0.905 9.747) 9.927 2.054 ( 1.653 0.905 9.747) 9.927 2.377 ( -3.072 3.654 4.091) 6.287 2.377 ( 3.072 3.654 4.091) 6.287 2.660 ( -3.250 -2.065 -6.499) 7.554 2.660 ( 3.250 -2.065 -6.499) 7.554 2.858 ( -5.968 2.144 -3.368) 7.180 2.858 ( 5.968 2.144 -3.368) 7.180 3.259 ( -0.455 -4.194 2.648) 4.981 3.259 ( 0.455 -4.194 2.648) 4.981 3.645 ( -5.467 4.937 1.901) 7.608 3.645 ( 5.467 4.937 1.901) 7.608 3.894 ( -5.632 0.952 -0.510) 5.734 3.894 ( 5.632 0.952 -0.510) 5.734 4.108 ( -1.779 5.765 8.604) 10.509 4.108 ( 1.779 5.765 8.604) 10.509 4.337 ( -20.985 2.810 -2.835) 21.361 4.337 ( 20.985 2.810 -2.835) 21.361 4.990 ( -1.589 -1.100 9.392) 9.589 4.990 ( 1.589 -1.100 9.392) 9.589 5.323 ( -19.532 0.109 9.420) 21.685 5.323 ( 19.532 0.109 9.420) 21.685 5.778 ( -8.358 -0.751 -4.165) 9.368 5.778 ( 8.358 -0.751 -4.165) 9.368 6.234 ( -4.753 -5.753 14.400) 16.219 6.234 ( 4.753 -5.753 14.400) 16.219 6.407 ( -11.815 -4.360 -0.999) 12.633 6.407 ( 11.815 -4.360 -0.999) 12.633 6.655 ( -11.264 -1.221 -5.894) 12.771 6.655 ( 11.264 -1.221 -5.894) 12.771 7.381 ( -13.851 -3.704 18.820) 23.660 7.381 ( 13.851 -3.704 18.820) 23.660 8.272 ( -13.400 10.272 -10.279) 19.767 8.272 ( 13.400 10.272 -10.279) 19.767 9.362 ( -1.324 1.382 -14.757) 14.881 9.362 ( 1.324 1.382 -14.757) 14.881 9.664 ( -7.058 1.589 -10.683) 12.902 9.664 ( 7.058 1.589 -10.683) 12.902 10.689 ( -6.566 -1.975 11.584) 13.461 10.689 ( 6.566 -1.975 11.584) 13.461 10.923 ( -7.403 -0.946 2.080) 7.747 10.923 ( 7.403 -0.946 2.080) 7.747 11.593 ( -17.594 -13.316 -6.891) 23.116 11.593 ( 17.594 -13.316 -6.891) 23.116 12.311 ( -8.082 9.190 -2.489) 12.489 12.311 ( 8.082 9.190 -2.489) 12.489 18.065 ( -0.376 -0.399 -8.150) 8.168 18.065 ( 0.376 -0.399 -8.150) 8.168 19.056 ( -8.884 1.523 23.847) 25.493 19.056 ( 8.884 1.523 23.847) 25.493 20.000 ( -8.574 -6.839 -0.827) 10.998 20.000 ( 8.574 -6.839 -0.827) 10.998 20.354 ( -0.981 3.356 -13.242) 13.695 20.354 ( 0.981 3.356 -13.242) 13.695 ======================= Grid point 263 (55/75) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 7.014 7.014 13.606) 16.838 2.005 ( 4.202 4.202 12.890) 14.194 2.278 ( 3.656 3.656 5.279) 7.389 2.443 ( 1.594 1.594 -4.102) 4.681 2.477 ( 2.863 2.863 -1.920) 4.481 2.687 ( -1.922 -1.922 -5.372) 6.020 2.748 ( 2.874 2.874 -3.622) 5.444 3.087 ( 8.771 8.771 -3.560) 12.904 3.173 ( -2.145 -2.145 -8.893) 9.396 3.223 ( -0.838 -0.838 2.197) 2.496 3.475 ( 2.689 2.689 9.298) 10.046 3.563 ( 4.796 4.796 0.156) 6.784 3.884 ( 5.779 5.779 10.854) 13.587 3.963 ( -2.128 -2.128 0.833) 3.123 4.058 ( 3.576 3.576 1.017) 5.159 4.281 ( 1.831 1.831 8.940) 9.307 4.301 ( -4.938 -4.938 7.279) 10.087 4.626 ( 9.475 9.475 4.702) 14.201 4.907 ( 0.244 0.244 3.758) 3.773 4.937 ( -5.210 -5.210 6.423) 9.774 5.214 ( -0.792 -0.792 -2.649) 2.876 5.290 ( 0.087 0.087 -4.605) 4.607 5.764 ( 1.806 1.806 0.463) 2.596 5.898 ( 3.345 3.345 -0.368) 4.744 6.096 ( -3.851 -3.851 5.873) 8.010 6.189 ( -0.530 -0.530 7.611) 7.648 6.279 ( -3.949 -3.949 11.366) 12.664 6.431 ( -4.713 -4.713 10.010) 12.026 6.693 ( -6.291 -6.291 3.897) 9.713 6.989 ( -4.004 -4.004 -10.831) 12.222 7.109 ( -7.560 -7.560 13.502) 17.223 7.775 ( 19.635 19.635 -12.000) 30.250 7.784 ( -9.482 -9.482 15.771) 20.701 8.572 ( 4.109 4.109 -7.478) 9.471 9.286 ( 3.811 3.811 -9.805) 11.189 9.369 ( 3.504 3.504 -18.765) 19.408 9.447 ( 8.805 8.805 -11.135) 16.705 9.815 ( -2.801 -2.801 -11.285) 11.960 10.585 ( 8.763 8.763 3.728) 12.941 10.612 ( 6.609 6.609 -0.772) 9.378 10.728 ( -3.219 -3.219 11.329) 12.209 10.977 ( -5.155 -5.155 6.181) 9.558 11.307 ( -8.919 -8.919 -1.164) 12.667 11.977 ( -17.349 -17.349 -0.214) 24.535 12.203 ( 7.853 7.853 -2.489) 11.381 12.630 ( -1.254 -1.254 -6.911) 7.135 18.050 ( -0.106 -0.106 -8.017) 8.018 18.067 ( -0.192 -0.192 -8.082) 8.086 18.861 ( 4.475 4.475 25.639) 26.408 19.390 ( -5.641 -5.641 21.091) 22.550 19.693 ( -0.181 -0.181 -1.031) 1.062 20.137 ( -5.958 -5.958 -7.751) 11.448 20.412 ( -0.125 -0.125 -12.052) 12.053 20.453 ( -2.218 -2.218 -6.674) 7.374 ======================= Grid point 264 (56/75) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.279 2.644 8.606) 9.968 2.067 ( 1.993 1.447 11.201) 11.469 2.380 ( 6.094 6.303 7.725) 11.685 2.486 ( 2.681 4.341 -1.967) 5.468 2.530 ( 2.897 0.488 -1.679) 3.383 2.659 ( -0.751 -2.229 -6.310) 6.734 2.811 ( 3.880 3.189 -3.314) 6.017 3.108 ( -7.351 8.412 -1.596) 11.285 3.157 ( 0.516 -3.396 -8.727) 9.379 3.204 ( -1.392 -1.778 -1.912) 2.959 3.500 ( 8.577 -6.689 4.418) 11.740 3.767 ( 6.925 7.496 3.881) 10.918 3.894 ( -1.897 2.721 2.912) 4.414 4.009 ( -0.323 0.945 7.675) 7.740 4.122 ( -3.036 -1.765 1.108) 3.682 4.176 ( 3.633 4.536 3.306) 6.686 4.294 ( 2.987 11.575 13.936) 18.361 4.742 ( -7.788 1.627 3.109) 8.542 4.932 ( 9.265 3.805 4.927) 11.163 4.938 ( 4.098 1.463 13.448) 14.134 5.124 ( -3.186 2.595 2.542) 4.832 5.388 ( 5.093 -6.573 -1.501) 8.450 5.740 ( -6.009 -4.642 8.809) 11.630 5.889 ( -5.839 -3.010 -2.688) 7.098 6.054 ( 2.648 -0.821 8.019) 8.485 6.146 ( -0.779 -7.468 9.866) 12.398 6.251 ( -1.295 1.760 8.632) 8.904 6.407 ( 4.928 -6.146 3.846) 8.766 6.554 ( -8.750 -3.922 4.257) 10.492 6.847 ( -13.569 -3.410 -5.683) 15.101 7.072 ( 8.170 -5.833 6.863) 12.161 7.566 ( -13.238 -6.682 13.503) 20.056 8.193 ( 20.992 16.727 -11.098) 29.046 8.607 ( -1.068 8.429 -7.823) 11.549 9.352 ( 3.018 2.596 -11.735) 12.391 9.409 ( 0.585 3.190 -17.739) 18.033 9.600 ( 6.910 5.376 -11.214) 14.227 9.762 ( -2.832 -0.826 -11.616) 11.985 10.626 ( -0.787 1.343 9.735) 9.859 10.724 ( 0.224 -4.145 7.819) 8.853 10.776 ( 4.317 1.015 4.484) 6.306 10.910 ( 3.216 -3.605 2.262) 5.335 11.193 ( -2.083 -9.192 -3.084) 9.917 11.636 ( -18.199 -17.305 -0.856) 25.128 12.347 ( 7.298 8.964 -6.926) 13.475 12.575 ( -4.311 3.810 -9.184) 10.837 18.051 ( 0.152 -0.358 -7.990) 8.000 18.062 ( -0.332 -0.477 -8.032) 8.053 18.962 ( 6.225 3.714 25.720) 26.722 19.249 ( -8.388 -0.166 24.074) 25.494 19.743 ( 4.890 -5.024 -0.439) 7.025 20.005 ( -7.714 -7.984 -2.317) 11.341 20.407 ( -0.267 1.655 -13.817) 13.919 20.422 ( -1.119 1.231 -11.662) 11.780 ======================= Grid point 265 (57/75) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -1.157 1.007 8.750) 8.883 2.074 ( 1.157 1.007 8.750) 8.883 2.468 ( -3.310 5.656 2.876) 7.157 2.468 ( 3.310 5.656 2.876) 7.157 2.626 ( -4.170 -1.275 -4.064) 5.961 2.626 ( 4.170 -1.275 -4.064) 5.961 2.926 ( -9.079 4.943 -1.124) 10.398 2.926 ( 9.079 4.943 -1.124) 10.398 3.177 ( -1.345 -3.325 -6.116) 7.090 3.177 ( 1.345 -3.325 -6.116) 7.090 3.729 ( -12.189 1.196 4.151) 12.932 3.729 ( 12.189 1.196 4.151) 12.932 3.880 ( -2.122 -1.538 1.711) 3.130 3.880 ( 2.122 -1.538 1.711) 3.130 4.181 ( -2.981 2.783 12.258) 12.919 4.181 ( 2.981 2.783 12.258) 12.919 4.505 ( -15.064 13.643 -0.845) 20.342 4.505 ( 15.064 13.643 -0.845) 20.342 4.977 ( -2.841 0.441 8.282) 8.767 4.977 ( 2.841 0.441 8.282) 8.767 5.298 ( -14.070 -2.772 13.759) 19.874 5.298 ( 14.070 -2.772 13.759) 19.874 5.740 ( -7.396 -4.644 -3.377) 9.364 5.740 ( 7.396 -4.644 -3.377) 9.364 6.107 ( -3.340 -6.937 15.254) 17.087 6.107 ( 3.340 -6.937 15.254) 17.087 6.363 ( -10.798 0.307 1.355) 10.887 6.363 ( 10.798 0.307 1.355) 10.887 6.585 ( -12.643 -4.644 -2.422) 13.685 6.585 ( 12.643 -4.644 -2.422) 13.685 7.301 ( -14.167 -5.085 9.208) 17.645 7.301 ( 14.167 -5.085 9.208) 17.645 8.501 ( -10.928 12.816 -8.956) 19.075 8.501 ( 10.928 12.816 -8.956) 19.075 9.396 ( -1.643 2.196 -14.583) 14.838 9.396 ( 1.643 2.196 -14.583) 14.838 9.701 ( -3.933 2.041 -11.663) 12.476 9.701 ( 3.933 2.041 -11.663) 12.476 10.645 ( -3.643 -2.069 10.869) 11.649 10.645 ( 3.643 -2.069 10.869) 11.649 10.902 ( -6.214 -1.240 1.654) 6.548 10.902 ( 6.214 -1.240 1.654) 6.548 11.319 ( -14.232 -14.870 -2.284) 20.709 11.319 ( 14.232 -14.870 -2.284) 20.709 12.475 ( -6.142 7.554 -9.278) 13.449 12.475 ( 6.142 7.554 -9.278) 13.449 18.055 ( -0.337 -0.515 -8.001) 8.025 18.055 ( 0.337 -0.515 -8.001) 8.025 19.094 ( -7.726 2.378 25.322) 26.581 19.094 ( 7.726 2.378 25.322) 26.581 19.861 ( -7.254 -7.278 -0.394) 10.283 19.861 ( 7.254 -7.278 -0.394) 10.283 20.408 ( -0.384 2.174 -13.760) 13.936 20.408 ( 0.384 2.174 -13.760) 13.936 ======================= Grid point 273 (58/75) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 1.688 1.688 6.992) 7.388 2.088 ( 0.657 0.657 9.226) 9.273 2.522 ( 6.882 6.882 9.011) 13.263 2.526 ( 2.416 2.416 -5.650) 6.603 2.591 ( 2.756 2.756 2.210) 4.480 2.616 ( -1.618 -1.618 -5.789) 6.225 2.890 ( 5.047 5.047 -1.417) 7.277 3.099 ( -4.467 -4.467 -8.351) 10.471 3.129 ( 0.677 0.677 -10.991) 11.033 3.326 ( -1.290 -1.290 7.179) 7.407 3.383 ( 5.943 5.943 -2.173) 8.681 3.841 ( 1.043 1.043 1.362) 2.008 3.873 ( -3.479 -3.479 0.592) 4.955 3.933 ( -11.147 -11.147 2.487) 15.959 4.154 ( 7.082 7.082 17.808) 20.432 4.258 ( 2.112 2.112 13.513) 13.839 4.549 ( 14.645 14.645 5.218) 21.358 4.781 ( 1.478 1.478 10.434) 10.642 4.952 ( 2.534 2.534 1.854) 4.035 5.056 ( 6.888 6.888 22.853) 24.842 5.196 ( 0.014 0.014 -5.661) 5.661 5.277 ( -0.960 -0.960 0.454) 1.432 5.580 ( -10.120 -10.120 15.352) 20.988 5.775 ( -9.386 -9.386 -7.146) 15.075 6.013 ( -4.505 -4.505 15.808) 17.044 6.042 ( -2.988 -2.988 17.126) 17.640 6.332 ( 5.716 5.716 -3.057) 8.642 6.352 ( 3.205 3.205 7.242) 8.543 6.485 ( -3.834 -3.834 7.192) 9.007 6.761 ( -7.618 -7.618 19.084) 21.915 7.023 ( 3.137 3.137 -24.046) 24.451 7.400 ( -10.676 -10.676 3.267) 15.448 8.510 ( 15.213 15.213 -6.796) 22.563 8.728 ( 3.649 3.649 -6.575) 8.358 9.399 ( 2.283 2.283 -12.645) 13.051 9.453 ( 0.929 0.929 -16.122) 16.176 9.682 ( 3.039 3.039 -11.255) 12.048 9.749 ( -0.607 -0.607 -11.747) 11.778 10.634 ( -0.301 -0.301 9.534) 9.544 10.657 ( -1.980 -1.980 8.348) 8.805 10.842 ( -0.337 -0.337 0.424) 0.638 10.861 ( 4.669 4.669 3.025) 7.263 11.039 ( -6.899 -6.899 -0.845) 9.793 11.316 ( -15.876 -15.876 0.108) 22.452 12.494 ( 6.377 6.377 -11.624) 14.712 12.613 ( 0.216 0.216 -12.390) 12.394 18.046 ( -0.099 -0.099 -7.853) 7.854 18.053 ( -0.422 -0.422 -7.923) 7.945 19.044 ( 4.791 4.791 26.613) 27.462 19.219 ( -3.176 -3.176 27.316) 27.683 19.693 ( 0.128 0.128 -1.359) 1.371 19.860 ( -7.192 -7.192 -0.733) 10.197 20.428 ( 0.661 0.661 -14.396) 14.426 20.435 ( 0.281 0.281 -13.454) 13.460 ======================= Grid point 274 (59/75) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -0.622 0.504 7.448) 7.491 2.088 ( 0.622 0.504 7.448) 7.491 2.563 ( -2.316 3.164 -2.757) 4.793 2.563 ( 2.316 3.164 -2.757) 4.793 2.621 ( -1.857 1.269 2.308) 3.223 2.621 ( 1.857 1.269 2.308) 3.223 2.998 ( -6.064 1.070 -4.616) 7.696 2.998 ( 6.064 1.070 -4.616) 7.696 3.192 ( -6.064 6.274 -4.054) 9.621 3.192 ( 6.064 6.274 -4.054) 9.621 3.645 ( -15.353 -8.830 2.244) 17.852 3.645 ( 15.353 -8.830 2.244) 17.852 3.856 ( -0.947 -1.186 -0.219) 1.534 3.856 ( 0.947 -1.186 -0.219) 1.534 4.250 ( -2.760 3.646 20.170) 20.681 4.250 ( 2.760 3.646 20.170) 20.681 4.762 ( -5.311 11.597 5.320) 13.820 4.762 ( 5.311 11.597 5.320) 13.820 5.043 ( -8.345 7.503 -0.455) 11.231 5.043 ( 8.345 7.503 -0.455) 11.231 5.235 ( -9.263 -3.402 21.476) 23.635 5.235 ( 9.263 -3.402 21.476) 23.635 5.571 ( -9.990 -12.627 -4.836) 16.811 5.571 ( 9.990 -12.627 -4.836) 16.811 5.984 ( -1.555 -5.807 17.637) 18.634 5.984 ( 1.555 -5.807 17.637) 18.634 6.406 ( -4.243 2.059 7.020) 8.457 6.406 ( 4.243 2.059 7.020) 8.457 6.550 ( -12.877 2.429 5.709) 14.294 6.550 ( 12.877 2.429 5.709) 14.294 7.183 ( -11.509 -6.979 -10.638) 17.156 7.183 ( 11.509 -6.979 -10.638) 17.156 8.715 ( -5.724 8.907 -5.575) 11.966 8.715 ( 5.724 8.907 -5.575) 11.966 9.439 ( -1.910 2.158 -13.836) 14.133 9.439 ( 1.910 2.158 -13.836) 14.133 9.726 ( -1.890 0.377 -11.204) 11.368 9.726 ( 1.890 0.377 -11.204) 11.368 10.635 ( -0.940 1.385 7.683) 7.863 10.635 ( 0.940 1.385 7.683) 7.863 10.876 ( -4.569 -1.683 1.106) 4.993 10.876 ( 4.569 -1.683 1.106) 4.993 11.062 ( -10.403 -11.366 0.738) 15.426 11.062 ( 10.403 -11.366 0.738) 15.426 12.584 ( -3.181 3.942 -13.353) 14.281 12.584 ( 3.181 3.942 -13.353) 14.281 18.047 ( -0.211 -0.329 -7.837) 7.847 18.047 ( 0.211 -0.329 -7.837) 7.847 19.138 ( -4.995 1.963 27.523) 28.042 19.138 ( 4.995 1.963 27.523) 28.042 19.743 ( -4.810 -4.716 -0.765) 6.780 19.743 ( 4.810 -4.716 -0.765) 6.780 20.435 ( -0.197 0.853 -14.302) 14.329 20.435 ( 0.197 0.853 -14.302) 14.329 ======================= Grid point 287 (60/75) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.000 0.000 6.830) 6.830 2.093 ( 0.000 0.000 6.830) 6.830 2.582 ( 0.000 0.000 -4.996) 4.996 2.582 ( 0.000 0.000 -4.996) 4.996 2.649 ( -0.000 -0.000 4.821) 4.821 2.649 ( 0.000 0.000 4.821) 4.821 2.997 ( -0.000 -0.000 -9.413) 9.413 2.997 ( 0.000 0.000 -9.413) 9.413 3.321 ( 0.000 0.000 3.613) 3.613 3.321 ( 0.000 0.000 3.613) 3.613 3.498 ( 0.000 0.000 -1.600) 1.600 3.498 ( 0.000 0.000 -1.600) 1.600 3.842 ( 0.000 0.000 -0.868) 0.868 3.842 ( 0.000 0.000 -0.868) 0.868 4.287 ( 0.000 0.000 23.443) 23.443 4.287 ( 0.000 0.000 23.443) 23.443 4.880 ( -0.000 -0.000 7.191) 7.191 4.880 ( -0.000 -0.000 7.191) 7.191 5.194 ( 0.000 0.000 30.249) 30.249 5.194 ( 0.000 0.000 30.249) 30.249 5.207 ( -0.000 -0.000 -9.703) 9.703 5.207 ( 0.000 0.000 -9.703) 9.703 5.360 ( -0.000 -0.000 -5.033) 5.033 5.360 ( 0.000 0.000 -5.033) 5.033 5.921 ( 0.000 0.000 17.657) 17.657 5.921 ( 0.000 0.000 17.657) 17.657 6.417 ( 0.000 0.000 7.457) 7.457 6.417 ( 0.000 0.000 7.457) 7.457 6.609 ( -0.000 -0.000 19.693) 19.693 6.609 ( 0.000 0.000 19.693) 19.693 7.096 ( 0.000 0.000 -27.058) 27.058 7.096 ( 0.000 0.000 -27.058) 27.058 8.804 ( -0.000 -0.000 -4.302) 4.302 8.804 ( 0.000 0.000 -4.302) 4.302 9.464 ( 0.000 0.000 -13.154) 13.154 9.464 ( 0.000 0.000 -13.154) 13.154 9.725 ( 0.000 0.000 -10.136) 10.136 9.725 ( 0.000 0.000 -10.136) 10.136 10.672 ( -0.000 -0.000 4.245) 4.245 10.672 ( -0.000 -0.000 4.245) 4.245 10.838 ( -0.000 -0.000 0.773) 0.773 10.838 ( 0.000 0.000 0.773) 0.773 10.949 ( 0.000 0.000 3.062) 3.062 10.949 ( 0.000 0.000 3.062) 3.062 12.622 ( 0.000 0.000 -14.731) 14.731 12.622 ( 0.000 0.000 -14.731) 14.731 18.044 ( 0.000 0.000 -7.764) 7.764 18.044 ( 0.000 0.000 -7.764) 7.764 19.158 ( 0.000 0.000 28.850) 28.850 19.158 ( 0.000 0.000 28.850) 28.850 19.697 ( 0.000 0.000 -1.393) 1.393 19.697 ( 0.000 0.000 -1.393) 1.393 20.443 ( 0.000 0.000 -14.495) 14.495 20.443 ( 0.000 0.000 -14.495) 14.495 ======================= Grid point 324 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 0.000 17.754) 17.754 1.920 ( 0.000 0.000 17.754) 17.754 2.197 ( 0.000 0.000 -2.626) 2.626 2.221 ( -0.000 0.000 -10.996) 10.996 2.221 ( 0.000 -0.000 -10.996) 10.996 2.471 ( 0.000 0.000 0.055) 0.055 2.599 ( 0.000 0.000 -3.961) 3.961 2.599 ( 0.000 0.000 -3.961) 3.961 3.082 ( -0.000 -0.000 5.968) 5.968 3.504 ( -0.000 -0.000 -3.134) 3.134 3.516 ( 0.000 0.000 0.163) 0.163 3.516 ( 0.000 0.000 0.163) 0.163 3.560 ( 0.000 0.000 0.874) 0.874 4.083 ( 0.000 0.000 10.370) 10.370 4.089 ( 0.000 0.000 1.091) 1.091 4.089 ( 0.000 0.000 1.091) 1.091 4.734 ( -0.000 -0.000 -0.416) 0.416 4.769 ( 0.000 0.000 1.740) 1.740 4.769 ( 0.000 0.000 1.740) 1.740 5.195 ( 0.000 0.000 -0.062) 0.062 5.195 ( 0.000 0.000 -0.062) 0.062 5.374 ( 0.000 0.000 0.715) 0.715 5.417 ( 0.000 0.000 1.726) 1.726 5.500 ( 0.000 0.000 -6.617) 6.617 5.500 ( -0.000 -0.000 -6.617) 6.617 5.866 ( -0.000 -0.000 -3.960) 3.960 6.443 ( 0.000 0.000 -2.720) 2.720 6.922 ( -0.000 -0.000 11.183) 11.183 6.922 ( -0.000 -0.000 11.183) 11.183 7.014 ( -0.000 -0.000 1.998) 1.998 7.657 ( 0.000 0.000 1.951) 1.951 8.306 ( 0.000 0.000 -0.924) 0.924 8.342 ( 0.000 0.000 -1.119) 1.119 8.342 ( 0.000 0.000 -1.119) 1.119 8.487 ( 0.000 0.000 -3.136) 3.136 8.953 ( 0.000 -0.000 -4.660) 4.660 8.953 ( -0.000 0.000 -4.660) 4.660 9.810 ( 0.000 0.000 -4.626) 4.626 10.006 ( -0.000 -0.000 0.546) 0.546 10.006 ( -0.000 -0.000 0.546) 0.546 10.977 ( -0.000 -0.000 -1.141) 1.141 11.084 ( 0.000 0.000 4.363) 4.363 12.022 ( -0.000 -0.000 3.313) 3.313 12.043 ( 0.000 0.000 1.342) 1.342 12.734 ( 0.000 -0.000 0.437) 0.437 12.734 ( 0.000 0.000 0.437) 0.437 17.945 ( -0.000 -0.000 -3.034) 3.034 17.945 ( -0.000 -0.000 -3.034) 3.034 19.147 ( -0.000 -0.000 21.224) 21.224 19.710 ( 0.000 0.000 -0.160) 0.160 19.710 ( 0.000 0.000 -0.160) 0.160 19.840 ( -0.000 -0.000 -18.875) 18.875 20.447 ( 0.000 0.000 -0.551) 0.551 20.804 ( 0.000 0.000 0.185) 0.185 ======================= Grid point 325 (62/75) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.342 0.000 16.101) 16.676 1.992 ( 6.780 0.000 14.195) 15.731 2.210 ( 1.636 0.000 -1.396) 2.151 2.256 ( 4.156 0.000 -5.813) 7.146 2.278 ( 5.696 0.000 -10.267) 11.741 2.544 ( 3.427 0.000 0.915) 3.547 2.605 ( 0.673 0.000 -4.055) 4.111 2.608 ( 3.217 0.000 -6.561) 7.307 3.061 ( 0.091 0.000 5.012) 5.013 3.322 ( -5.373 0.000 -1.807) 5.668 3.520 ( 0.360 0.000 0.419) 0.553 3.551 ( -0.553 0.000 0.430) 0.701 3.869 ( 21.945 0.000 0.343) 21.948 3.978 ( -5.798 0.000 8.405) 10.211 4.106 ( 2.378 0.000 0.959) 2.564 4.166 ( 2.211 0.000 4.163) 4.714 4.326 ( -18.728 0.000 -3.834) 19.117 4.656 ( -11.821 0.000 1.262) 11.888 5.100 ( 6.583 0.000 10.414) 12.320 5.195 ( -0.268 0.000 -0.192) 0.329 5.288 ( 12.632 0.000 -8.624) 15.295 5.289 ( -3.906 0.000 -2.230) 4.498 5.336 ( -6.087 0.000 1.004) 6.170 5.696 ( 13.402 0.000 -2.724) 13.676 5.722 ( 21.766 0.000 -3.504) 22.046 5.912 ( 4.315 0.000 -4.500) 6.234 6.463 ( 2.828 0.000 -3.613) 4.588 6.856 ( -6.148 0.000 9.752) 11.528 6.893 ( -2.868 0.000 11.345) 11.702 6.991 ( -2.966 0.000 2.795) 4.076 7.523 ( -12.516 0.000 1.906) 12.660 8.043 ( -17.828 0.000 -0.387) 17.832 8.298 ( -1.972 0.000 2.915) 3.520 8.334 ( -0.305 0.000 -2.266) 2.287 8.774 ( 16.481 0.000 -4.882) 17.189 8.952 ( 0.128 0.000 -6.709) 6.711 8.987 ( 3.862 0.000 -3.541) 5.239 9.788 ( -2.223 0.000 -4.493) 5.013 10.089 ( 8.603 0.000 0.338) 8.610 10.166 ( 15.799 0.000 0.237) 15.801 11.011 ( 3.268 0.000 -0.643) 3.331 11.053 ( -3.114 0.000 4.410) 5.399 11.909 ( -13.561 0.000 1.097) 13.606 12.043 ( 2.128 0.000 3.300) 3.927 12.648 ( -9.030 0.000 0.018) 9.030 12.684 ( -5.133 0.000 0.341) 5.144 17.944 ( -0.050 0.000 -3.064) 3.065 17.951 ( 0.597 0.000 -3.004) 3.063 19.168 ( 2.178 0.000 20.867) 20.981 19.686 ( -2.519 0.000 1.185) 2.784 19.727 ( 1.895 0.000 -0.226) 1.908 19.853 ( 1.367 0.000 -18.391) 18.441 20.399 ( -4.813 0.000 -1.458) 5.028 20.736 ( -6.974 0.000 0.555) 6.996 ======================= Grid point 326 (63/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 5.259 0.000 11.915) 13.024 2.137 ( 7.981 0.000 7.101) 10.683 2.258 ( 3.372 0.000 -1.277) 3.606 2.356 ( 3.971 0.000 5.402) 6.704 2.429 ( 9.901 0.000 -5.273) 11.218 2.563 ( 2.166 0.000 -7.235) 7.552 2.617 ( 0.274 0.000 -4.510) 4.518 2.662 ( 0.001 0.000 -2.039) 2.039 3.209 ( 15.683 0.000 3.527) 16.075 3.298 ( 2.401 0.000 -0.901) 2.565 3.527 ( 0.319 0.000 1.323) 1.361 3.541 ( -0.248 0.000 -0.239) 0.344 3.869 ( -5.417 0.000 6.675) 8.597 4.003 ( -12.564 0.000 -5.166) 13.584 4.104 ( 2.759 0.000 2.181) 3.516 4.218 ( 0.469 0.000 3.408) 3.440 4.331 ( -7.034 0.000 3.692) 7.944 4.416 ( 15.466 0.000 -2.435) 15.656 5.095 ( -15.448 0.000 0.181) 15.449 5.135 ( 0.218 0.000 7.310) 7.313 5.183 ( -0.838 0.000 1.473) 1.695 5.350 ( 5.702 0.000 -3.283) 6.580 5.557 ( 13.613 0.000 -6.626) 15.140 5.946 ( -0.381 0.000 -0.136) 0.405 5.954 ( 13.647 0.000 -1.919) 13.781 6.109 ( 11.400 0.000 -0.887) 11.435 6.591 ( 8.756 0.000 -5.471) 10.325 6.723 ( -7.174 0.000 8.002) 10.747 6.832 ( -3.267 0.000 10.118) 10.632 6.893 ( -7.249 0.000 2.919) 7.815 7.309 ( -4.592 0.000 0.944) 4.688 7.764 ( -10.259 0.000 0.556) 10.274 8.206 ( -7.705 0.000 8.523) 11.490 8.323 ( -1.880 0.000 -2.999) 3.539 8.971 ( 2.202 0.000 -10.152) 10.388 8.994 ( 6.382 0.000 -8.537) 10.658 9.140 ( 12.198 0.000 -0.430) 12.206 9.727 ( -4.282 0.000 -4.442) 6.170 10.316 ( 14.813 0.000 0.195) 14.814 10.547 ( 23.224 0.000 -0.165) 23.225 10.978 ( -4.360 0.000 4.485) 6.255 11.074 ( 2.490 0.000 0.770) 2.606 11.577 ( -19.895 0.000 -0.286) 19.897 12.097 ( 3.468 0.000 3.174) 4.701 12.400 ( -16.937 0.000 -1.149) 16.976 12.552 ( -8.431 0.000 0.327) 8.437 17.944 ( 0.106 0.000 -3.120) 3.122 17.962 ( 0.459 0.000 -2.964) 2.999 19.227 ( 3.988 0.000 19.746) 20.145 19.619 ( -4.453 0.000 4.826) 6.566 19.786 ( 4.391 0.000 -0.358) 4.405 19.892 ( 2.749 0.000 -16.964) 17.186 20.282 ( -7.144 0.000 -3.910) 8.144 20.557 ( -11.502 0.000 0.858) 11.534 ======================= Grid point 327 (64/75) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 5.054 0.000 9.648) 10.891 2.277 ( 5.600 0.000 8.332) 10.039 2.330 ( 4.028 0.000 -2.117) 4.551 2.354 ( -1.765 0.000 4.091) 4.455 2.553 ( -3.788 0.000 -10.321) 10.994 2.567 ( -0.747 0.000 -2.465) 2.576 2.661 ( 8.738 0.000 -3.802) 9.529 2.755 ( 8.338 0.000 0.393) 8.347 3.390 ( 6.479 0.000 1.775) 6.718 3.449 ( 3.744 0.000 9.247) 9.976 3.548 ( 1.126 0.000 -1.016) 1.517 3.560 ( 3.433 0.000 -1.605) 3.790 3.803 ( -7.412 0.000 -6.729) 10.010 3.895 ( 11.992 0.000 1.693) 12.111 3.985 ( -18.829 0.000 -1.447) 18.884 4.145 ( 1.974 0.000 2.492) 3.179 4.213 ( -0.939 0.000 3.523) 3.646 4.739 ( -21.575 0.000 0.149) 21.575 4.931 ( 27.578 0.000 3.093) 27.751 5.138 ( 0.281 0.000 5.807) 5.814 5.171 ( 0.080 0.000 3.053) 3.054 5.499 ( 9.378 0.000 -4.083) 10.228 5.734 ( 2.557 0.000 -4.913) 5.539 5.820 ( -12.834 0.000 2.747) 13.125 6.207 ( 13.146 0.000 -2.285) 13.343 6.241 ( 6.827 0.000 0.683) 6.861 6.598 ( -6.564 0.000 5.071) 8.295 6.625 ( -4.066 0.000 1.257) 4.256 6.714 ( -8.610 0.000 0.700) 8.639 6.732 ( -8.721 0.000 3.346) 9.341 7.480 ( 16.170 0.000 8.364) 18.205 7.729 ( 8.365 0.000 -4.762) 9.625 8.012 ( -12.602 0.000 12.876) 18.017 8.233 ( -8.210 0.000 -5.438) 9.847 9.035 ( 4.187 0.000 -10.575) 11.373 9.080 ( 3.120 0.000 -7.916) 8.508 9.358 ( 9.909 0.000 -2.202) 10.151 9.631 ( -5.761 0.000 -4.421) 7.261 10.618 ( 16.229 0.000 0.974) 16.259 10.915 ( -1.456 0.000 4.081) 4.333 10.978 ( 16.794 0.000 2.437) 16.970 11.062 ( -4.716 0.000 6.871) 8.334 11.260 ( -6.796 0.000 -9.154) 11.401 12.022 ( -22.658 0.000 -2.998) 22.856 12.170 ( 4.112 0.000 2.829) 4.991 12.389 ( -8.156 0.000 0.846) 8.200 17.949 ( 0.410 0.000 -3.130) 3.157 17.966 ( -0.146 0.000 -2.986) 2.989 19.315 ( 5.161 0.000 17.615) 18.356 19.524 ( -5.472 0.000 9.619) 11.067 19.895 ( 7.025 0.000 -1.155) 7.119 19.960 ( 4.799 0.000 -13.791) 14.603 20.146 ( -6.971 0.000 -6.971) 9.858 20.324 ( -12.654 0.000 0.043) 12.654 ======================= Grid point 328 (65/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -4.654 0.000 10.532) 11.514 2.250 ( 4.654 0.000 10.532) 11.514 2.387 ( -0.250 0.000 0.613) 0.662 2.387 ( 0.250 0.000 0.613) 0.662 2.512 ( -1.692 0.000 -9.244) 9.397 2.512 ( 1.692 0.000 -9.244) 9.397 2.810 ( -3.970 0.000 -0.174) 3.974 2.810 ( 3.970 0.000 -0.174) 3.974 3.478 ( -0.750 0.000 7.626) 7.663 3.478 ( 0.750 0.000 7.626) 7.663 3.586 ( -1.257 0.000 1.010) 1.612 3.586 ( 1.257 0.000 1.010) 1.612 3.720 ( -4.569 0.000 -8.541) 9.687 3.720 ( 4.569 0.000 -8.541) 9.687 4.178 ( -0.801 0.000 4.045) 4.124 4.178 ( 0.801 0.000 4.045) 4.124 4.298 ( -23.472 0.000 -0.872) 23.489 4.298 ( 23.472 0.000 -0.872) 23.489 5.145 ( -0.198 0.000 4.733) 4.737 5.145 ( 0.198 0.000 4.733) 4.737 5.451 ( -23.697 0.000 4.897) 24.197 5.451 ( 23.697 0.000 4.897) 24.197 5.675 ( -8.225 0.000 -4.790) 9.518 5.675 ( 8.225 0.000 -4.790) 9.518 6.418 ( -6.302 0.000 1.924) 6.589 6.418 ( 6.302 0.000 1.924) 6.589 6.458 ( -7.312 0.000 -2.883) 7.860 6.458 ( 7.312 0.000 -2.883) 7.860 6.639 ( -0.505 0.000 3.611) 3.647 6.639 ( 0.505 0.000 3.611) 3.647 7.754 ( -14.024 0.000 15.369) 20.805 7.754 ( 14.024 0.000 15.369) 20.805 8.004 ( -15.712 0.000 -8.906) 18.061 8.004 ( 15.712 0.000 -8.906) 18.061 9.098 ( -1.561 0.000 -8.831) 8.968 9.098 ( 1.561 0.000 -8.831) 8.968 9.512 ( -6.886 0.000 -3.812) 7.871 9.512 ( 6.886 0.000 -3.812) 7.871 10.881 ( -10.846 0.000 5.295) 12.069 10.881 ( 10.846 0.000 5.295) 12.069 10.966 ( -7.226 0.000 1.207) 7.327 10.966 ( 7.226 0.000 1.207) 7.327 11.565 ( -24.891 0.000 -5.665) 25.528 11.565 ( 24.891 0.000 -5.665) 25.528 12.259 ( -5.604 0.000 1.899) 5.916 12.259 ( 5.604 0.000 1.899) 5.916 17.959 ( -0.518 0.000 -3.066) 3.110 17.959 ( 0.518 0.000 -3.066) 3.110 19.418 ( -5.649 0.000 14.179) 15.263 19.418 ( 5.649 0.000 14.179) 15.263 20.023 ( -6.218 0.000 -7.906) 10.059 20.023 ( 6.218 0.000 -7.906) 10.059 20.101 ( -10.359 0.000 -3.413) 10.907 20.101 ( 10.359 0.000 -3.413) 10.907 ======================= Grid point 334 (66/75) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 3.871 3.871 16.067) 16.974 2.038 ( 4.209 4.209 9.847) 11.506 2.224 ( 2.105 2.105 0.178) 2.983 2.255 ( 2.121 2.121 -9.669) 10.123 2.365 ( 5.370 5.370 -0.635) 7.621 2.586 ( -0.044 -0.044 -7.084) 7.085 2.598 ( 2.171 2.171 -0.722) 3.154 2.676 ( 7.272 7.272 -4.446) 11.204 3.072 ( 3.185 3.185 4.231) 6.179 3.218 ( -5.769 -5.769 -2.494) 8.531 3.478 ( -2.811 -2.811 1.016) 4.103 3.689 ( 5.358 5.358 1.704) 7.766 3.977 ( -1.910 -1.910 9.959) 10.319 4.002 ( 15.885 15.885 0.506) 22.471 4.057 ( -1.625 -1.625 0.742) 2.415 4.133 ( -11.271 -11.271 -4.705) 16.619 4.245 ( 3.378 3.378 2.563) 5.421 4.707 ( -3.613 -3.613 2.845) 5.848 5.031 ( -1.350 -1.350 4.960) 5.315 5.179 ( -1.113 -1.113 -1.704) 2.320 5.214 ( -0.618 -0.618 -2.122) 2.295 5.234 ( -5.471 -5.471 -0.783) 7.777 5.574 ( 11.558 11.558 -0.947) 16.372 5.610 ( 2.945 2.945 -2.380) 4.796 5.958 ( 4.337 4.337 -4.361) 7.526 5.997 ( 16.228 16.228 -3.088) 23.156 6.492 ( 3.119 3.119 -4.330) 6.182 6.850 ( 1.270 1.270 10.058) 10.217 6.856 ( -3.532 -3.532 10.430) 11.564 6.958 ( -3.510 -3.510 2.826) 5.712 7.383 ( -13.028 -13.028 1.341) 18.473 7.892 ( -12.994 -12.994 0.759) 18.392 8.275 ( -3.276 -3.276 4.313) 6.330 8.357 ( 2.455 2.455 -1.862) 3.940 8.892 ( 8.781 8.781 -7.204) 14.357 8.964 ( 0.807 0.807 -8.660) 8.735 9.026 ( 5.548 5.548 -1.534) 7.995 9.768 ( -2.184 -2.184 -4.426) 5.397 10.215 ( 9.707 9.707 -0.585) 13.740 10.237 ( 10.223 10.223 0.878) 14.484 11.024 ( -2.975 -2.975 4.462) 6.133 11.038 ( 2.550 2.550 -0.173) 3.610 11.786 ( -12.356 -12.356 1.200) 17.515 12.067 ( 2.333 2.333 2.748) 4.294 12.528 ( -10.675 -10.675 0.287) 15.100 12.672 ( -3.063 -3.063 -0.448) 4.354 17.945 ( -0.020 -0.020 -3.018) 3.018 17.954 ( 0.341 0.341 -3.038) 3.076 19.190 ( 2.211 2.211 20.561) 20.798 19.697 ( -0.611 -0.611 -0.320) 0.922 19.710 ( 0.055 0.055 2.717) 2.718 19.864 ( 1.138 1.138 -17.868) 17.941 20.358 ( -4.196 -4.196 -2.508) 6.443 20.674 ( -6.384 -6.384 0.705) 9.056 ======================= Grid point 335 (67/75) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.763 2.800 11.972) 13.185 2.147 ( 7.115 1.117 6.735) 9.861 2.285 ( 3.932 2.788 -2.158) 5.281 2.346 ( 7.070 1.089 -0.556) 7.175 2.428 ( 1.380 0.424 3.080) 3.401 2.582 ( -0.879 -0.275 -9.118) 9.165 2.628 ( 1.080 1.848 -3.201) 3.851 2.807 ( 5.877 12.392 -2.037) 13.865 3.162 ( -0.077 -8.433 -2.460) 8.785 3.271 ( 16.198 6.551 4.029) 17.930 3.423 ( -1.596 -6.590 -1.011) 6.856 3.723 ( -0.963 7.184 5.082) 8.852 3.849 ( -7.591 -4.146 -0.875) 8.694 3.972 ( -4.713 2.397 -1.815) 5.590 4.096 ( 3.357 -0.526 2.346) 4.129 4.269 ( 3.143 8.098 5.374) 10.214 4.424 ( 2.884 6.008 5.581) 8.693 4.504 ( 4.674 7.547 -2.653) 9.265 5.015 ( -9.322 -6.580 1.645) 11.528 5.118 ( -0.826 -2.214 5.821) 6.283 5.185 ( -0.661 0.111 1.457) 1.604 5.259 ( 6.589 -5.826 -6.294) 10.816 5.648 ( 5.720 5.562 -3.810) 8.841 5.859 ( 12.866 -3.506 -0.594) 13.348 6.018 ( 0.157 6.113 -2.079) 6.458 6.201 ( 5.687 4.884 -0.009) 7.497 6.521 ( -1.439 -5.908 -0.133) 6.082 6.755 ( -6.192 -2.544 8.660) 10.946 6.855 ( -7.577 -3.479 2.166) 8.615 6.942 ( -4.151 10.184 3.816) 11.641 7.223 ( 9.623 -3.442 1.882) 10.392 7.662 ( -8.692 -9.583 0.351) 12.942 8.167 ( -8.314 -4.841 7.174) 12.001 8.391 ( 0.223 6.592 -0.546) 6.618 8.987 ( 2.127 1.636 -11.602) 11.908 9.017 ( 4.964 2.201 -8.536) 10.116 9.203 ( 11.097 6.162 -0.927) 12.727 9.708 ( -4.033 -1.911 -4.444) 6.299 10.397 ( 11.706 8.291 0.033) 14.345 10.561 ( 20.555 1.613 0.081) 20.618 10.952 ( -4.164 -2.634 4.542) 6.701 11.083 ( 1.364 0.714 1.325) 2.031 11.485 ( -17.883 -9.183 -0.170) 20.104 12.125 ( 3.674 2.748 2.106) 5.048 12.263 ( -17.104 -12.375 -0.259) 21.113 12.571 ( -7.188 0.132 -1.096) 7.272 17.944 ( 0.044 -0.028 -3.048) 3.048 17.961 ( 0.278 -0.110 -2.997) 3.011 19.249 ( 4.000 2.253 19.561) 20.093 19.636 ( -4.354 1.843 4.388) 6.450 19.763 ( 4.251 -2.371 1.987) 5.258 19.896 ( 2.246 0.434 -16.220) 16.381 20.256 ( -6.173 -2.645 -5.423) 8.632 20.510 ( -10.549 -4.856 0.483) 11.623 ======================= Grid point 336 (68/75) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 4.559 1.666 9.787) 10.925 2.270 ( 4.515 -0.524 7.949) 9.156 2.366 ( 2.789 2.943 -0.924) 4.159 2.378 ( 0.608 2.772 0.870) 2.969 2.524 ( -0.684 -1.886 -5.230) 5.601 2.557 ( 3.018 -0.153 -1.053) 3.200 2.650 ( 4.393 2.267 -6.565) 8.218 2.901 ( 2.178 10.281 -0.158) 10.511 3.201 ( 3.733 -11.547 -1.792) 12.267 3.339 ( -2.837 -10.726 2.107) 11.293 3.572 ( 4.907 5.497 1.623) 7.545 3.764 ( 7.361 8.020 4.624) 11.827 3.809 ( 3.091 0.760 -1.237) 3.415 3.918 ( 2.616 4.578 -5.510) 7.626 4.099 ( -15.150 6.691 1.738) 16.652 4.175 ( 2.827 5.064 2.276) 6.230 4.288 ( -1.297 8.638 5.135) 10.132 4.718 ( -19.911 -1.409 -0.360) 19.964 4.977 ( 24.670 4.043 3.902) 25.302 5.139 ( 2.615 0.612 7.218) 7.701 5.173 ( 0.732 0.334 2.809) 2.922 5.431 ( 10.408 -6.338 -4.529) 13.000 5.732 ( 0.235 -0.289 -4.834) 4.849 5.897 ( -12.802 7.332 3.132) 15.081 6.083 ( 11.302 -8.054 -2.574) 14.115 6.301 ( 6.590 2.734 1.419) 7.274 6.474 ( -2.689 -7.739 3.609) 8.952 6.640 ( -14.618 -3.486 -0.481) 15.035 6.649 ( -4.688 -3.995 4.724) 7.762 6.751 ( -9.337 -1.977 -0.121) 9.544 7.503 ( 8.873 -3.015 14.057) 16.894 7.743 ( 19.728 7.938 -8.889) 23.048 7.964 ( -12.791 -6.000 9.967) 17.291 8.336 ( -6.762 10.400 -2.210) 12.600 9.045 ( 3.686 1.020 -11.583) 12.198 9.093 ( 2.779 1.309 -8.152) 8.711 9.391 ( 8.425 3.277 -2.521) 9.385 9.621 ( -5.006 -0.915 -4.507) 6.798 10.646 ( 13.813 2.838 0.983) 14.136 10.891 ( -1.356 -2.384 4.101) 4.933 10.950 ( 16.531 -2.823 2.786) 17.000 11.043 ( -7.274 -2.201 6.822) 10.212 11.209 ( -5.547 -4.993 -8.379) 11.221 11.895 ( -21.388 -11.927 -1.666) 24.546 12.202 ( 4.431 3.157 1.293) 5.592 12.424 ( -7.698 2.515 -0.968) 8.156 17.948 ( 0.325 -0.158 -3.069) 3.090 17.962 ( -0.186 -0.325 -2.985) 3.009 19.336 ( 5.126 2.225 17.553) 18.421 19.543 ( -5.392 2.007 9.502) 11.108 19.867 ( 6.572 -2.982 2.124) 7.523 19.948 ( 3.261 -1.140 -12.313) 12.788 20.142 ( -5.386 -0.480 -9.551) 10.975 20.297 ( -11.387 -2.723 -1.447) 11.797 ======================= Grid point 337 (69/75) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -3.981 0.631 10.744) 11.475 2.257 ( 3.981 0.631 10.744) 11.475 2.407 ( -2.766 1.699 -1.574) 3.608 2.407 ( 2.766 1.699 -1.574) 3.608 2.522 ( -3.731 1.269 -6.890) 7.937 2.522 ( 3.731 1.269 -6.890) 7.937 2.828 ( -9.179 2.717 -0.037) 9.573 2.828 ( 9.179 2.717 -0.037) 9.573 3.277 ( -3.783 -12.711 -0.153) 13.263 3.277 ( 3.783 -12.711 -0.153) 13.263 3.712 ( -10.615 7.910 4.546) 13.997 3.712 ( 10.615 7.910 4.546) 13.997 3.840 ( -4.593 6.654 -4.137) 9.083 3.840 ( 4.593 6.654 -4.137) 9.083 4.243 ( -3.309 7.319 4.361) 9.140 4.243 ( 3.309 7.319 4.361) 9.140 4.300 ( -23.321 1.592 -1.094) 23.400 4.300 ( 23.321 1.592 -1.094) 23.400 5.136 ( -1.665 -0.924 4.738) 5.106 5.136 ( 1.665 -0.924 4.738) 5.106 5.502 ( -19.434 4.055 8.218) 21.486 5.502 ( 19.434 4.055 8.218) 21.486 5.654 ( -6.042 -0.919 -6.857) 9.185 5.654 ( 6.042 -0.919 -6.857) 9.185 6.332 ( -14.367 -8.522 -3.241) 17.016 6.332 ( 14.367 -8.522 -3.241) 17.016 6.432 ( -5.749 -1.175 3.575) 6.871 6.432 ( 5.749 -1.175 3.575) 6.871 6.621 ( -2.939 -2.756 1.440) 4.279 6.621 ( 2.939 -2.756 1.440) 4.279 7.706 ( -13.222 -6.849 12.316) 19.324 7.706 ( 13.222 -6.849 12.316) 19.324 8.118 ( -16.447 12.727 -5.479) 21.506 8.118 ( 16.447 12.727 -5.479) 21.506 9.104 ( -1.780 0.606 -9.385) 9.572 9.104 ( 1.780 0.606 -9.385) 9.572 9.521 ( -5.733 0.953 -3.976) 7.042 9.521 ( 5.733 0.953 -3.976) 7.042 10.870 ( -9.068 -1.350 6.317) 11.133 10.870 ( 9.068 -1.350 6.317) 11.133 10.944 ( -7.350 -1.986 0.053) 7.613 10.944 ( 7.350 -1.986 0.053) 7.613 11.475 ( -22.471 -8.821 -4.210) 24.504 11.475 ( 22.471 -8.821 -4.210) 24.504 12.296 ( -5.765 3.368 0.082) 6.677 12.296 ( 5.765 3.368 0.082) 6.677 17.956 ( -0.459 -0.298 -3.032) 3.081 17.956 ( 0.459 -0.298 -3.032) 3.081 19.438 ( -5.583 2.130 14.168) 15.376 19.438 ( 5.583 2.130 14.168) 15.376 19.977 ( -3.113 -4.084 -1.720) 5.416 19.977 ( 3.113 -4.084 -1.720) 5.416 20.116 ( -5.779 0.848 -9.334) 11.011 20.116 ( 5.779 0.848 -9.334) 11.011 ======================= Grid point 344 (70/75) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 3.280 3.280 11.587) 12.481 2.190 ( 3.890 3.890 5.006) 7.438 2.356 ( 4.620 4.620 -6.130) 8.959 2.430 ( -0.515 -0.515 3.907) 3.974 2.433 ( 7.707 7.707 5.004) 11.993 2.563 ( -1.610 -1.610 -7.361) 7.705 2.669 ( 2.409 2.409 -4.567) 5.698 3.029 ( 9.128 9.128 -1.908) 13.050 3.045 ( -3.041 -3.041 -3.748) 5.705 3.248 ( -7.295 -7.295 0.530) 10.331 3.546 ( 17.858 17.858 0.461) 25.259 3.624 ( -8.275 -8.275 3.658) 12.261 3.887 ( 1.665 1.665 -2.883) 3.722 3.973 ( -2.655 -2.655 0.267) 3.765 4.180 ( 8.495 8.495 4.970) 13.002 4.435 ( -8.780 -8.780 5.037) 13.400 4.456 ( 6.914 6.914 6.851) 11.939 4.698 ( 17.077 17.077 2.313) 24.261 4.949 ( -2.074 -2.074 0.505) 2.977 5.058 ( -0.982 -0.982 5.323) 5.501 5.185 ( 0.476 0.476 -5.131) 5.174 5.194 ( -0.728 -0.728 0.317) 1.077 5.721 ( 3.422 3.422 -3.155) 5.777 5.854 ( 1.135 1.135 -2.584) 3.042 6.134 ( 3.707 3.707 0.967) 5.330 6.268 ( 2.966 2.966 1.697) 4.525 6.412 ( -4.516 -4.516 2.849) 6.993 6.656 ( -6.880 -6.880 7.572) 12.329 6.765 ( -5.973 -5.973 2.380) 8.776 6.832 ( -13.990 -13.990 -3.886) 20.163 7.365 ( -3.878 -3.878 12.173) 13.351 7.610 ( 19.507 19.507 -6.967) 28.454 8.022 ( -10.454 -10.454 6.078) 15.985 8.518 ( 5.568 5.568 3.075) 8.453 9.026 ( 2.420 2.420 -14.505) 14.903 9.072 ( 3.372 3.372 -8.277) 9.553 9.340 ( 7.532 7.532 -2.087) 10.854 9.659 ( -3.036 -3.036 -4.516) 6.231 10.595 ( 8.627 8.627 -0.700) 12.220 10.630 ( 9.383 9.383 1.207) 13.324 10.889 ( -3.712 -3.712 4.635) 7.003 11.080 ( -1.979 -1.979 3.800) 4.720 11.268 ( -12.283 -12.283 -1.981) 17.483 11.974 ( -17.638 -17.638 -0.083) 24.943 12.192 ( 4.129 4.129 0.227) 5.844 12.538 ( -3.404 -3.404 -2.522) 5.435 17.943 ( -0.042 -0.042 -2.962) 2.962 17.959 ( -0.146 -0.146 -3.005) 3.012 19.309 ( 3.989 3.989 18.864) 19.689 19.675 ( -0.404 -0.404 -0.617) 0.840 19.714 ( -0.016 -0.016 11.949) 11.949 19.907 ( 0.761 0.761 -13.540) 13.582 20.192 ( -3.756 -3.756 -9.407) 10.804 20.385 ( -7.951 -7.951 -1.250) 11.314 ======================= Grid point 345 (71/75) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.086 1.570 9.892) 10.480 2.269 ( 2.997 0.729 8.042) 8.613 2.406 ( -0.632 1.378 -1.396) 2.061 2.458 ( 5.515 4.871 -4.331) 8.538 2.513 ( -2.771 0.282 -6.432) 7.009 2.595 ( 5.039 4.296 6.570) 9.328 2.731 ( 6.333 6.294 -5.106) 10.286 3.018 ( 0.794 -7.387 -4.471) 8.671 3.095 ( -5.041 4.144 0.799) 6.574 3.144 ( -3.470 -2.935 -3.630) 5.816 3.575 ( 5.917 -6.119 2.517) 8.876 3.850 ( 4.500 3.756 4.169) 7.193 3.908 ( -1.630 1.050 0.429) 1.986 3.983 ( 14.184 9.789 -5.210) 18.005 4.161 ( -15.389 -2.819 2.344) 15.820 4.339 ( 7.048 11.147 6.970) 14.917 4.516 ( 0.218 13.410 7.313) 15.276 4.754 ( -15.086 6.839 -1.351) 16.619 5.019 ( 9.247 -0.546 5.068) 10.559 5.151 ( -0.578 -0.483 4.677) 4.738 5.248 ( 17.303 6.458 7.380) 19.889 5.298 ( 10.994 -3.987 -3.389) 12.176 5.732 ( -5.110 0.221 -6.624) 8.369 5.920 ( 7.644 -6.878 -2.192) 10.513 6.068 ( -10.275 6.592 7.698) 14.432 6.307 ( 0.215 -3.534 4.272) 5.549 6.389 ( 2.058 1.113 3.243) 3.999 6.519 ( -9.664 -5.770 -7.140) 13.329 6.564 ( -9.697 -6.502 3.770) 12.269 6.662 ( -6.253 -5.498 -1.096) 8.398 7.296 ( 3.266 -15.844 8.008) 18.051 7.779 ( -14.830 -13.018 5.893) 20.594 8.076 ( 23.654 22.554 -1.716) 32.729 8.564 ( -1.527 11.990 3.441) 12.568 9.075 ( 2.627 2.229 -14.302) 14.711 9.124 ( 1.540 1.656 -8.857) 9.141 9.465 ( 5.426 4.047 -3.393) 7.572 9.602 ( -2.863 -0.856 -4.553) 5.446 10.720 ( 7.246 4.741 1.246) 8.748 10.834 ( -1.219 -3.361 3.838) 5.245 10.888 ( 12.171 -2.919 3.379) 12.964 10.968 ( -7.724 -5.729 5.316) 10.988 11.102 ( -4.199 -5.665 -5.935) 9.216 11.620 ( -19.225 -16.262 -0.571) 25.187 12.275 ( 4.550 4.190 -1.493) 6.363 12.456 ( -4.905 0.641 -3.178) 5.879 17.944 ( 0.151 -0.186 -2.949) 2.959 17.955 ( -0.282 -0.404 -2.963) 3.003 19.395 ( 5.030 3.900 17.213) 18.352 19.598 ( -5.265 3.734 8.807) 10.919 19.789 ( 5.423 -4.987 8.480) 11.234 19.919 ( 0.068 -2.071 -6.733) 7.044 20.128 ( -2.544 -0.895 -14.385) 14.635 20.230 ( -7.817 -4.066 -6.362) 10.868 ======================= Grid point 346 (72/75) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -2.557 0.081 10.524) 10.831 2.266 ( 2.557 0.081 10.524) 10.831 2.440 ( -3.581 1.949 -5.509) 6.853 2.440 ( 3.581 1.949 -5.509) 6.853 2.572 ( -4.984 3.966 -2.121) 6.713 2.572 ( 4.984 3.966 -2.121) 6.713 2.928 ( -11.543 6.876 1.907) 13.571 2.928 ( 11.543 6.876 1.907) 13.571 3.064 ( -3.556 -8.521 -4.968) 10.485 3.064 ( 3.556 -8.521 -4.968) 10.485 3.804 ( -14.684 -0.507 3.010) 14.998 3.804 ( 14.684 -0.507 3.010) 14.998 3.883 ( -1.686 -1.091 -0.840) 2.177 3.883 ( 1.686 -1.091 -0.840) 2.177 4.363 ( -14.282 8.928 5.185) 17.624 4.363 ( 14.282 8.928 5.185) 17.624 4.498 ( -1.872 15.196 0.314) 15.314 4.498 ( 1.872 15.196 0.314) 15.314 5.111 ( -2.960 -1.706 4.677) 5.792 5.111 ( 2.960 -1.706 4.677) 5.792 5.495 ( -7.322 -4.641 2.240) 8.953 5.495 ( 7.322 -4.641 2.240) 8.953 5.732 ( -17.007 7.318 7.106) 19.831 5.732 ( 17.007 7.318 7.106) 19.831 6.184 ( -14.227 -4.419 -9.739) 17.798 6.184 ( 14.227 -4.419 -9.739) 17.798 6.392 ( -1.174 -3.847 5.331) 6.678 6.392 ( 1.174 -3.847 5.331) 6.678 6.548 ( -4.974 -3.580 0.359) 6.139 6.548 ( 4.974 -3.580 0.359) 6.139 7.489 ( -14.739 -15.543 6.173) 22.292 7.489 ( 14.739 -15.543 6.173) 22.292 8.430 ( -13.091 18.232 0.934) 22.464 8.430 ( 13.091 18.232 0.934) 22.464 9.120 ( -1.751 1.075 -11.150) 11.338 9.120 ( 1.751 1.075 -11.150) 11.338 9.546 ( -3.405 1.589 -4.289) 5.702 9.546 ( 3.405 1.589 -4.289) 5.702 10.824 ( -4.404 -3.392 7.006) 8.943 10.824 ( 4.404 -3.392 7.006) 8.943 10.908 ( -7.433 -1.685 -1.305) 7.733 10.908 ( 7.433 -1.685 -1.305) 7.733 11.270 ( -17.340 -11.889 -2.036) 21.123 11.270 ( 17.340 -11.889 -2.036) 21.123 12.363 ( -4.828 3.276 -2.754) 6.452 12.363 ( 4.828 3.276 -2.754) 6.452 17.949 ( -0.329 -0.362 -2.948) 2.988 17.949 ( 0.329 -0.362 -2.948) 2.988 19.495 ( -5.476 3.795 14.032) 15.534 19.495 ( 5.476 3.795 14.032) 15.534 19.886 ( -3.970 -5.347 4.892) 8.264 19.886 ( 3.970 -5.347 4.892) 8.264 20.123 ( -2.722 -0.050 -15.230) 15.471 20.123 ( 2.722 -0.050 -15.230) 15.471 ======================= Grid point 354 (73/75) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.215 1.215 8.506) 8.678 2.282 ( -0.219 -0.219 10.172) 10.177 2.433 ( 2.135 2.135 -5.105) 5.931 2.520 ( -0.369 -0.369 -3.683) 3.719 2.553 ( 5.387 5.387 -4.934) 9.077 2.674 ( 2.665 2.665 5.001) 6.262 2.865 ( 3.080 3.080 0.786) 4.426 2.949 ( -7.368 -7.368 -5.416) 11.743 2.953 ( 5.201 5.201 -7.140) 10.251 3.349 ( 6.295 6.295 -1.102) 8.970 3.430 ( -2.121 -2.121 3.039) 4.270 3.857 ( -0.936 -0.936 0.424) 1.389 3.875 ( -2.271 -2.271 -0.053) 3.213 3.981 ( -13.747 -13.747 1.668) 19.513 4.295 ( 17.919 17.919 1.230) 25.371 4.537 ( 8.440 8.440 12.384) 17.200 4.712 ( 6.184 6.184 7.587) 11.578 4.910 ( 0.567 0.567 -5.945) 5.998 4.980 ( 1.708 1.708 9.926) 10.215 5.144 ( -2.103 -2.103 0.176) 2.979 5.178 ( 1.828 1.828 -7.799) 8.216 5.514 ( 14.079 14.079 23.636) 30.905 5.633 ( -10.930 -10.930 -5.699) 16.475 5.922 ( 5.230 5.230 0.914) 7.452 6.066 ( -2.714 -2.714 4.786) 6.135 6.244 ( -2.148 -2.148 6.986) 7.618 6.398 ( -7.580 -7.580 8.438) 13.643 6.446 ( 3.231 3.231 2.590) 5.252 6.534 ( 0.279 0.279 -26.087) 26.090 6.574 ( -3.494 -3.494 2.318) 5.458 7.015 ( -8.396 -8.396 6.605) 13.587 7.485 ( -17.688 -17.688 2.439) 25.133 8.487 ( 18.924 18.924 2.723) 26.901 8.737 ( 5.319 5.319 7.118) 10.356 9.122 ( 2.239 2.239 -16.153) 16.460 9.146 ( 0.524 0.524 -10.662) 10.688 9.532 ( 2.929 2.929 -4.125) 5.846 9.592 ( -0.394 -0.394 -4.345) 4.381 10.774 ( -1.994 -1.994 4.276) 5.122 10.790 ( 0.816 0.816 3.778) 3.951 10.853 ( -4.153 -4.153 1.811) 6.147 10.901 ( 4.729 4.729 1.115) 6.780 10.995 ( -5.748 -5.748 -3.006) 8.666 11.315 ( -15.253 -15.253 -0.140) 21.572 12.351 ( 3.721 3.721 -3.626) 6.391 12.449 ( -1.263 -1.263 -4.461) 4.805 17.942 ( -0.032 -0.032 -2.873) 2.874 17.948 ( -0.321 -0.321 -2.904) 2.939 19.479 ( 4.912 4.912 16.122) 17.555 19.670 ( 0.066 0.066 -0.787) 0.793 19.698 ( -0.761 -0.761 22.649) 22.675 19.865 ( -3.687 -3.687 2.403) 5.741 20.113 ( -0.471 -0.471 -18.262) 18.274 20.158 ( -3.172 -3.172 -14.054) 14.753 ======================= Grid point 355 (74/75) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.650 -0.525 8.745) 8.915 2.260 ( 1.650 -0.525 8.745) 8.915 2.486 ( -2.864 2.714 -3.908) 5.553 2.486 ( 2.864 2.714 -3.908) 5.553 2.655 ( -4.514 4.337 -0.822) 6.314 2.655 ( 4.514 4.337 -0.822) 6.314 2.869 ( -1.311 -7.285 -4.591) 8.710 2.869 ( 1.311 -7.285 -4.591) 8.710 3.167 ( -12.935 13.057 -0.308) 18.381 3.167 ( 12.935 13.057 -0.308) 18.381 3.684 ( -16.442 -10.730 1.426) 19.685 3.684 ( 16.442 -10.730 1.426) 19.685 3.849 ( -0.409 -1.804 -0.248) 1.867 3.849 ( 0.409 -1.804 -0.248) 1.867 4.575 ( -8.137 10.961 12.710) 18.653 4.575 ( 8.137 10.961 12.710) 18.653 4.781 ( -4.783 14.281 -3.367) 15.432 4.781 ( 4.783 14.281 -3.367) 15.432 5.073 ( -4.217 -2.211 3.350) 5.822 5.073 ( 4.217 -2.211 3.350) 5.822 5.371 ( -14.137 -8.295 -5.125) 17.173 5.371 ( 14.137 -8.295 -5.125) 17.173 5.785 ( -13.011 -1.365 25.198) 28.392 5.785 ( 13.011 -1.365 25.198) 28.392 6.243 ( -3.264 1.525 2.472) 4.369 6.243 ( 3.264 1.525 2.472) 4.369 6.330 ( -11.600 7.181 -14.974) 20.257 6.330 ( 11.600 7.181 -14.974) 20.257 6.514 ( -3.583 -0.521 1.559) 3.942 6.514 ( 3.583 -0.521 1.559) 3.942 7.145 ( -16.727 -20.134 1.416) 26.214 7.145 ( 16.727 -20.134 1.416) 26.214 8.734 ( -6.447 12.244 6.382) 15.239 8.734 ( 6.447 12.244 6.382) 15.239 9.146 ( -0.441 1.708 -14.157) 14.267 9.146 ( 0.441 1.708 -14.157) 14.267 9.575 ( -1.631 1.252 -4.228) 4.702 9.575 ( 1.631 1.252 -4.228) 4.702 10.763 ( -1.324 -2.440 4.731) 5.486 10.763 ( 1.324 -2.440 4.731) 5.486 10.875 ( -4.965 -2.089 -0.984) 5.476 10.875 ( 4.965 -2.089 -0.984) 5.476 11.067 ( -10.808 -8.308 0.017) 13.632 11.067 ( 10.808 -8.308 0.017) 13.632 12.412 ( -2.665 1.778 -4.626) 5.627 12.412 ( 2.665 1.778 -4.626) 5.627 17.943 ( -0.178 -0.215 -2.862) 2.875 17.943 ( 0.178 -0.215 -2.862) 2.875 19.578 ( -5.454 4.856 13.377) 15.241 19.578 ( 5.454 4.856 13.377) 15.241 19.781 ( -5.034 -5.663 9.800) 12.388 19.781 ( 5.034 -5.663 9.800) 12.388 20.118 ( -1.097 -0.353 -18.938) 18.973 20.118 ( 1.097 -0.353 -18.938) 18.973 ======================= Grid point 368 (75/75) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.000 0.000 7.904) 7.904 2.254 ( 0.000 0.000 7.904) 7.904 2.518 ( 0.000 0.000 -1.718) 1.718 2.518 ( 0.000 0.000 -1.718) 1.718 2.716 ( -0.000 -0.000 1.963) 1.963 2.716 ( 0.000 0.000 1.963) 1.963 2.775 ( 0.000 0.000 -10.015) 10.015 2.775 ( 0.000 0.000 -10.015) 10.015 3.403 ( 0.000 0.000 2.884) 2.884 3.403 ( 0.000 0.000 2.884) 2.884 3.470 ( 0.000 0.000 -0.931) 0.931 3.470 ( 0.000 0.000 -0.931) 0.931 3.830 ( 0.000 0.000 -0.358) 0.358 3.830 ( 0.000 0.000 -0.358) 0.358 4.691 ( -0.000 -0.000 18.663) 18.663 4.691 ( 0.000 0.000 18.663) 18.663 4.993 ( -0.000 -0.000 -13.220) 13.220 4.993 ( 0.000 0.000 -13.220) 13.220 5.020 ( 0.000 0.000 6.536) 6.536 5.020 ( 0.000 0.000 6.536) 6.536 5.243 ( 0.000 0.000 -6.047) 6.047 5.243 ( 0.000 0.000 -6.047) 6.047 5.766 ( -0.000 -0.000 26.717) 26.717 5.766 ( 0.000 0.000 26.717) 26.717 6.200 ( 0.000 0.000 9.329) 9.329 6.200 ( 0.000 0.000 9.329) 9.329 6.511 ( 0.000 0.000 2.454) 2.454 6.511 ( 0.000 0.000 2.454) 2.454 6.571 ( -0.000 -0.000 -25.322) 25.322 6.571 ( 0.000 0.000 -25.322) 25.322 6.839 ( 0.000 0.000 4.833) 4.833 6.839 ( 0.000 0.000 4.833) 4.833 8.852 ( 0.000 0.000 8.809) 8.809 8.852 ( 0.000 0.000 8.809) 8.809 9.169 ( 0.000 0.000 -15.812) 15.812 9.169 ( 0.000 0.000 -15.812) 15.812 9.588 ( 0.000 0.000 -3.881) 3.881 9.588 ( 0.000 0.000 -3.881) 3.881 10.742 ( 0.000 0.000 2.292) 2.292 10.742 ( 0.000 0.000 2.292) 2.292 10.842 ( -0.000 -0.000 -0.074) 0.074 10.842 ( 0.000 0.000 -0.074) 0.074 10.990 ( 0.000 0.000 1.142) 1.142 10.990 ( 0.000 0.000 1.142) 1.142 12.428 ( 0.000 0.000 -5.250) 5.250 12.428 ( 0.000 0.000 -5.250) 5.250 17.941 ( 0.000 0.000 -2.826) 2.826 17.941 ( 0.000 0.000 -2.826) 2.826 19.673 ( -0.000 -0.000 -0.823) 0.823 19.673 ( -0.000 -0.000 -0.823) 0.823 19.678 ( -0.000 -0.000 25.511) 25.511 19.678 ( 0.000 0.000 25.511) 25.511 20.114 ( 0.000 0.000 -20.235) 20.235 20.114 ( 0.000 0.000 -20.235) 20.235 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31104 10.0 1361.737 1361.737 1310.017 -0.000 -0.000 0.000 3/31104 20.0 291.158 291.158 244.777 -0.000 -0.000 0.000 3/31104 30.0 92.949 92.949 91.710 -0.000 -0.000 0.000 3/31104 40.0 45.143 45.143 48.622 -0.000 -0.000 0.000 3/31104 50.0 27.832 27.832 31.257 -0.000 -0.000 0.000 3/31104 60.0 19.720 19.720 22.578 -0.000 -0.000 0.000 3/31104 70.0 15.205 15.205 17.573 -0.000 -0.000 0.000 3/31104 80.0 12.376 12.376 14.376 -0.000 -0.000 0.000 3/31104 90.0 10.452 10.452 12.178 -0.000 -0.000 0.000 3/31104 100.0 9.061 9.061 10.583 -0.000 -0.000 0.000 3/31104 110.0 8.011 8.011 9.376 -0.000 -0.000 0.000 3/31104 120.0 7.190 7.190 8.434 -0.000 -0.000 0.000 3/31104 130.0 6.531 6.531 7.679 -0.000 -0.000 0.000 3/31104 140.0 5.989 5.989 7.061 -0.000 -0.000 0.000 3/31104 150.0 5.535 5.535 6.546 -0.000 -0.000 0.000 3/31104 160.0 5.149 5.149 6.111 -0.000 -0.000 0.000 3/31104 170.0 4.817 4.817 5.738 -0.000 -0.000 0.000 3/31104 180.0 4.527 4.527 5.414 -0.000 -0.000 0.000 3/31104 190.0 4.272 4.272 5.131 -0.000 -0.000 0.000 3/31104 200.0 4.046 4.046 4.880 -0.000 -0.000 0.000 3/31104 210.0 3.844 3.844 4.656 -0.000 -0.000 0.000 3/31104 220.0 3.662 3.662 4.455 -0.000 -0.000 0.000 3/31104 230.0 3.497 3.497 4.273 -0.000 -0.000 0.000 3/31104 240.0 3.347 3.347 4.107 -0.000 -0.000 0.000 3/31104 250.0 3.210 3.210 3.955 -0.000 -0.000 0.000 3/31104 260.0 3.084 3.084 3.816 -0.000 -0.000 0.000 3/31104 270.0 2.968 2.968 3.686 -0.000 -0.000 0.000 3/31104 280.0 2.860 2.860 3.566 -0.000 -0.000 0.000 3/31104 290.0 2.761 2.761 3.455 -0.000 -0.000 0.000 3/31104 300.0 2.668 2.668 3.350 -0.000 -0.000 0.000 3/31104 310.0 2.581 2.581 3.252 -0.000 -0.000 0.000 3/31104 320.0 2.500 2.500 3.160 -0.000 -0.000 0.000 3/31104 330.0 2.424 2.424 3.073 -0.000 -0.000 0.000 3/31104 340.0 2.353 2.353 2.991 -0.000 -0.000 0.000 3/31104 350.0 2.286 2.286 2.914 -0.000 -0.000 0.000 3/31104 360.0 2.222 2.222 2.840 -0.000 -0.000 0.000 3/31104 370.0 2.162 2.162 2.770 -0.000 -0.000 0.000 3/31104 380.0 2.105 2.105 2.704 -0.000 -0.000 0.000 3/31104 390.0 2.052 2.052 2.641 -0.000 -0.000 0.000 3/31104 400.0 2.000 2.000 2.580 -0.000 -0.000 0.000 3/31104 410.0 1.952 1.952 2.523 -0.000 -0.000 0.000 3/31104 420.0 1.906 1.906 2.468 -0.000 -0.000 0.000 3/31104 430.0 1.861 1.861 2.415 -0.000 -0.000 0.000 3/31104 440.0 1.819 1.819 2.365 -0.000 -0.000 0.000 3/31104 450.0 1.779 1.779 2.316 -0.000 -0.000 0.000 3/31104 460.0 1.741 1.741 2.270 -0.000 -0.000 0.000 3/31104 470.0 1.704 1.704 2.225 -0.000 -0.000 0.000 3/31104 480.0 1.669 1.669 2.182 -0.000 -0.000 0.000 3/31104 490.0 1.635 1.635 2.141 -0.000 -0.000 0.000 3/31104 500.0 1.602 1.602 2.101 -0.000 -0.000 0.000 3/31104 510.0 1.571 1.571 2.062 -0.000 -0.000 0.000 3/31104 520.0 1.541 1.541 2.025 -0.000 -0.000 0.000 3/31104 530.0 1.512 1.512 1.990 -0.000 -0.000 0.000 3/31104 540.0 1.484 1.484 1.955 -0.000 -0.000 0.000 3/31104 550.0 1.457 1.457 1.922 -0.000 -0.000 0.000 3/31104 560.0 1.432 1.432 1.889 -0.000 -0.000 0.000 3/31104 570.0 1.407 1.407 1.858 -0.000 -0.000 0.000 3/31104 580.0 1.383 1.383 1.828 -0.000 -0.000 0.000 3/31104 590.0 1.359 1.359 1.799 -0.000 -0.000 0.000 3/31104 600.0 1.337 1.337 1.770 -0.000 -0.000 0.000 3/31104 610.0 1.315 1.315 1.743 -0.000 -0.000 0.000 3/31104 620.0 1.294 1.294 1.716 -0.000 -0.000 0.000 3/31104 630.0 1.274 1.274 1.691 -0.000 -0.000 0.000 3/31104 640.0 1.254 1.254 1.665 -0.000 -0.000 0.000 3/31104 650.0 1.235 1.235 1.641 -0.000 -0.000 0.000 3/31104 660.0 1.216 1.216 1.617 -0.000 -0.000 0.000 3/31104 670.0 1.198 1.198 1.594 -0.000 -0.000 0.000 3/31104 680.0 1.180 1.180 1.572 -0.000 -0.000 0.000 3/31104 690.0 1.163 1.163 1.550 -0.000 -0.000 0.000 3/31104 700.0 1.147 1.147 1.529 -0.000 -0.000 0.000 3/31104 710.0 1.131 1.131 1.508 -0.000 -0.000 0.000 3/31104 720.0 1.115 1.115 1.488 -0.000 -0.000 0.000 3/31104 730.0 1.100 1.100 1.469 -0.000 -0.000 0.000 3/31104 740.0 1.085 1.085 1.450 -0.000 -0.000 0.000 3/31104 750.0 1.071 1.071 1.431 -0.000 -0.000 0.000 3/31104 760.0 1.057 1.057 1.413 -0.000 -0.000 0.000 3/31104 770.0 1.043 1.043 1.395 -0.000 -0.000 0.000 3/31104 780.0 1.030 1.030 1.378 -0.000 -0.000 0.000 3/31104 790.0 1.017 1.017 1.361 -0.000 -0.000 0.000 3/31104 800.0 1.004 1.004 1.345 -0.000 -0.000 0.000 3/31104 810.0 0.992 0.992 1.329 -0.000 -0.000 0.000 3/31104 820.0 0.980 0.980 1.313 -0.000 -0.000 0.000 3/31104 830.0 0.968 0.968 1.298 -0.000 -0.000 0.000 3/31104 840.0 0.957 0.957 1.283 -0.000 -0.000 0.000 3/31104 850.0 0.946 0.946 1.269 -0.000 -0.000 0.000 3/31104 860.0 0.935 0.935 1.254 -0.000 -0.000 0.000 3/31104 870.0 0.924 0.924 1.240 -0.000 -0.000 0.000 3/31104 880.0 0.913 0.913 1.227 -0.000 -0.000 0.000 3/31104 890.0 0.903 0.903 1.213 -0.000 -0.000 0.000 3/31104 900.0 0.893 0.893 1.200 -0.000 -0.000 0.000 3/31104 910.0 0.884 0.884 1.187 -0.000 -0.000 0.000 3/31104 920.0 0.874 0.874 1.175 -0.000 -0.000 0.000 3/31104 930.0 0.865 0.865 1.163 -0.000 -0.000 0.000 3/31104 940.0 0.855 0.855 1.151 -0.000 -0.000 0.000 3/31104 950.0 0.846 0.846 1.139 -0.000 -0.000 0.000 3/31104 960.0 0.838 0.838 1.127 -0.000 -0.000 0.000 3/31104 970.0 0.829 0.829 1.116 -0.000 -0.000 0.000 3/31104 980.0 0.821 0.821 1.105 -0.000 -0.000 0.000 3/31104 990.0 0.812 0.812 1.094 -0.000 -0.000 0.000 3/31104 1000.0 0.804 0.804 1.083 -0.000 -0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:57:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|