----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:55:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.077801620000000 -3.648591635000001 0.000000000000000 b 4.077801620000000 3.648591635000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.376700060000000 Atomic positions (fractional): *1 Li 0.15621588815453 0.15621588815453 0.00000000000000 6.941 2 Li 0.15621588815453 0.15621588815453 0.50000000000000 6.941 *3 Li 0.11325930736938 0.60017284587759 0.25000000000000 6.941 4 Li 0.60017284587759 0.11325930736938 0.75000000000000 6.941 5 Li 0.39982715412241 0.88674069263062 0.25000000000000 6.941 6 Li 0.88674069263062 0.39982715412241 0.75000000000000 6.941 7 Li 0.84378411184547 0.84378411184547 0.00000000000000 6.941 8 Li 0.84378411184547 0.84378411184547 0.50000000000000 6.941 *9 Zr 0.34828225038427 0.65171774961573 0.75000000000000 91.224 10 Zr 0.65171774961573 0.34828225038427 0.25000000000000 91.224 *11 O 0.30601330656805 0.27246986357582 0.25000000000000 15.999 12 O 0.27246986357582 0.30601330656805 0.75000000000000 15.999 *13 O 0.79584894380328 0.20415105619672 0.51110049015748 15.999 14 O 0.79584894380328 0.20415105619672 0.98889950984252 15.999 15 O 0.20415105619672 0.79584894380328 0.01110049015748 15.999 16 O 0.20415105619672 0.79584894380328 0.48889950984252 15.999 17 O 0.72753013642418 0.69398669343195 0.25000000000000 15.999 18 O 0.69398669343195 0.72753013642418 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.155603240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.297183270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.376700060000000 Atomic positions (fractional): *1 Li 0.15621588815453 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15621588815453 0.00000000000000 0.50000000000000 6.941 > 2 *3 Li 0.35671607662349 0.24345676925411 0.25000000000000 6.941 > 3 4 Li 0.35671607662349 0.75654323074590 0.75000000000000 6.941 > 4 5 Li 0.64328392337651 0.24345676925411 0.25000000000000 6.941 > 5 6 Li 0.64328392337651 0.75654323074590 0.75000000000000 6.941 > 6 7 Li 0.84378411184547 0.00000000000000 0.00000000000000 6.941 > 7 8 Li 0.84378411184547 0.00000000000000 0.50000000000000 6.941 > 8 9 Li 0.65621588815453 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.65621588815453 0.50000000000000 0.50000000000000 6.941 > 2 11 Li 0.85671607662349 0.74345676925410 0.25000000000000 6.941 > 3 12 Li 0.85671607662349 0.25654323074590 0.75000000000000 6.941 > 4 13 Li 0.14328392337651 0.74345676925410 0.25000000000000 6.941 > 5 14 Li 0.14328392337651 0.25654323074590 0.75000000000000 6.941 > 6 15 Li 0.34378411184547 0.50000000000000 0.00000000000000 6.941 > 7 16 Li 0.34378411184547 0.50000000000000 0.50000000000000 6.941 > 8 *17 Zr 0.50000000000000 0.15171774961573 0.75000000000000 91.224 > 9 18 Zr 0.50000000000000 0.84828225038427 0.25000000000000 91.224 > 10 19 Zr 0.00000000000000 0.65171774961573 0.75000000000000 91.224 > 9 20 Zr 0.00000000000000 0.34828225038427 0.25000000000000 91.224 > 10 *21 O 0.28924158507193 0.98322827850388 0.25000000000000 15.999 > 11 22 O 0.28924158507193 0.01677172149612 0.75000000000000 15.999 > 12 *23 O 0.50000000000000 0.70415105619672 0.51110049015748 15.999 > 13 24 O 0.50000000000000 0.70415105619672 0.98889950984252 15.999 > 14 25 O 0.50000000000000 0.29584894380328 0.01110049015748 15.999 > 15 26 O 0.50000000000000 0.29584894380328 0.48889950984252 15.999 > 16 27 O 0.71075841492807 0.98322827850388 0.25000000000000 15.999 > 17 28 O 0.71075841492807 0.01677172149612 0.75000000000000 15.999 > 18 29 O 0.78924158507193 0.48322827850388 0.25000000000000 15.999 > 11 30 O 0.78924158507193 0.51677172149612 0.75000000000000 15.999 > 12 31 O 0.00000000000000 0.20415105619672 0.51110049015748 15.999 > 13 32 O 0.00000000000000 0.20415105619672 0.98889950984252 15.999 > 14 33 O 0.00000000000000 0.79584894380328 0.01110049015748 15.999 > 15 34 O 0.00000000000000 0.79584894380328 0.48889950984252 15.999 > 16 35 O 0.21075841492807 0.48322827850388 0.25000000000000 15.999 > 17 36 O 0.21075841492807 0.51677172149612 0.75000000000000 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.155603240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594366540000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.753400120000000 Atomic positions (fractional): *1 Li 0.15621588815453 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15621588815453 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15621588815453 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15621588815453 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.15621588815453 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.15621588815453 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.15621588815453 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.15621588815453 0.50000000000000 0.75000000000000 6.941 > 2 *9 Li 0.35671607662349 0.12172838462705 0.12500000000000 6.941 > 3 10 Li 0.35671607662349 0.62172838462705 0.12500000000000 6.941 > 3 11 Li 0.35671607662349 0.12172838462705 0.62500000000000 6.941 > 3 12 Li 0.35671607662349 0.62172838462705 0.62500000000000 6.941 > 3 13 Li 0.35671607662349 0.37827161537295 0.37500000000000 6.941 > 4 14 Li 0.35671607662349 0.87827161537295 0.37500000000000 6.941 > 4 15 Li 0.35671607662349 0.37827161537295 0.87500000000000 6.941 > 4 16 Li 0.35671607662349 0.87827161537295 0.87500000000000 6.941 > 4 17 Li 0.64328392337651 0.12172838462705 0.12500000000000 6.941 > 5 18 Li 0.64328392337651 0.62172838462705 0.12500000000000 6.941 > 5 19 Li 0.64328392337651 0.12172838462705 0.62500000000000 6.941 > 5 20 Li 0.64328392337651 0.62172838462705 0.62500000000000 6.941 > 5 21 Li 0.64328392337651 0.37827161537295 0.37500000000000 6.941 > 6 22 Li 0.64328392337651 0.87827161537295 0.37500000000000 6.941 > 6 23 Li 0.64328392337651 0.37827161537295 0.87500000000000 6.941 > 6 24 Li 0.64328392337651 0.87827161537295 0.87500000000000 6.941 > 6 25 Li 0.84378411184547 0.00000000000000 0.00000000000000 6.941 > 7 26 Li 0.84378411184547 0.50000000000000 0.00000000000000 6.941 > 7 27 Li 0.84378411184547 0.00000000000000 0.50000000000000 6.941 > 7 28 Li 0.84378411184547 0.50000000000000 0.50000000000000 6.941 > 7 29 Li 0.84378411184547 0.00000000000000 0.25000000000000 6.941 > 8 30 Li 0.84378411184547 0.50000000000000 0.25000000000000 6.941 > 8 31 Li 0.84378411184547 0.00000000000000 0.75000000000000 6.941 > 8 32 Li 0.84378411184547 0.50000000000000 0.75000000000000 6.941 > 8 33 Li 0.65621588815453 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65621588815453 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65621588815453 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65621588815453 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.65621588815453 0.25000000000000 0.25000000000000 6.941 > 2 38 Li 0.65621588815453 0.75000000000000 0.25000000000000 6.941 > 2 39 Li 0.65621588815453 0.25000000000000 0.75000000000000 6.941 > 2 40 Li 0.65621588815453 0.75000000000000 0.75000000000000 6.941 > 2 41 Li 0.85671607662349 0.37172838462705 0.12500000000000 6.941 > 3 42 Li 0.85671607662349 0.87172838462705 0.12500000000000 6.941 > 3 43 Li 0.85671607662349 0.37172838462705 0.62500000000000 6.941 > 3 44 Li 0.85671607662349 0.87172838462705 0.62500000000000 6.941 > 3 45 Li 0.85671607662349 0.12827161537295 0.37500000000000 6.941 > 4 46 Li 0.85671607662349 0.62827161537295 0.37500000000000 6.941 > 4 47 Li 0.85671607662349 0.12827161537295 0.87500000000000 6.941 > 4 48 Li 0.85671607662349 0.62827161537295 0.87500000000000 6.941 > 4 49 Li 0.14328392337651 0.37172838462705 0.12500000000000 6.941 > 5 50 Li 0.14328392337651 0.87172838462705 0.12500000000000 6.941 > 5 51 Li 0.14328392337651 0.37172838462705 0.62500000000000 6.941 > 5 52 Li 0.14328392337651 0.87172838462705 0.62500000000000 6.941 > 5 53 Li 0.14328392337651 0.12827161537295 0.37500000000000 6.941 > 6 54 Li 0.14328392337651 0.62827161537295 0.37500000000000 6.941 > 6 55 Li 0.14328392337651 0.12827161537295 0.87500000000000 6.941 > 6 56 Li 0.14328392337651 0.62827161537295 0.87500000000000 6.941 > 6 57 Li 0.34378411184547 0.25000000000000 0.00000000000000 6.941 > 7 58 Li 0.34378411184547 0.75000000000000 0.00000000000000 6.941 > 7 59 Li 0.34378411184547 0.25000000000000 0.50000000000000 6.941 > 7 60 Li 0.34378411184547 0.75000000000000 0.50000000000000 6.941 > 7 61 Li 0.34378411184547 0.25000000000000 0.25000000000000 6.941 > 8 62 Li 0.34378411184547 0.75000000000000 0.25000000000000 6.941 > 8 63 Li 0.34378411184547 0.25000000000000 0.75000000000000 6.941 > 8 64 Li 0.34378411184547 0.75000000000000 0.75000000000000 6.941 > 8 *65 Zr 0.50000000000000 0.07585887480787 0.37500000000000 91.224 > 9 66 Zr 0.50000000000000 0.57585887480787 0.37500000000000 91.224 > 9 67 Zr 0.50000000000000 0.07585887480787 0.87500000000000 91.224 > 9 68 Zr 0.50000000000000 0.57585887480787 0.87500000000000 91.224 > 9 69 Zr 0.50000000000000 0.42414112519213 0.12500000000000 91.224 > 10 70 Zr 0.50000000000000 0.92414112519213 0.12500000000000 91.224 > 10 71 Zr 0.50000000000000 0.42414112519213 0.62500000000000 91.224 > 10 72 Zr 0.50000000000000 0.92414112519213 0.62500000000000 91.224 > 10 73 Zr 0.00000000000000 0.32585887480787 0.37500000000000 91.224 > 9 74 Zr 0.00000000000000 0.82585887480787 0.37500000000000 91.224 > 9 75 Zr 0.00000000000000 0.32585887480787 0.87500000000000 91.224 > 9 76 Zr 0.00000000000000 0.82585887480787 0.87500000000000 91.224 > 9 77 Zr 0.00000000000000 0.17414112519213 0.12500000000000 91.224 > 10 78 Zr 0.00000000000000 0.67414112519213 0.12500000000000 91.224 > 10 79 Zr 0.00000000000000 0.17414112519213 0.62500000000000 91.224 > 10 80 Zr 0.00000000000000 0.67414112519213 0.62500000000000 91.224 > 10 *81 O 0.28924158507193 0.49161413925194 0.12500000000000 15.999 > 11 82 O 0.28924158507193 0.99161413925194 0.12500000000000 15.999 > 11 83 O 0.28924158507193 0.49161413925194 0.62500000000000 15.999 > 11 84 O 0.28924158507193 0.99161413925194 0.62500000000000 15.999 > 11 85 O 0.28924158507193 0.00838586074806 0.37500000000000 15.999 > 12 86 O 0.28924158507193 0.50838586074806 0.37500000000000 15.999 > 12 87 O 0.28924158507193 0.00838586074806 0.87500000000000 15.999 > 12 88 O 0.28924158507193 0.50838586074806 0.87500000000000 15.999 > 12 *89 O 0.50000000000000 0.35207552809836 0.25555024507874 15.999 > 13 90 O 0.50000000000000 0.85207552809836 0.25555024507874 15.999 > 13 91 O 0.50000000000000 0.35207552809836 0.75555024507874 15.999 > 13 92 O 0.50000000000000 0.85207552809836 0.75555024507874 15.999 > 13 93 O 0.50000000000000 0.35207552809836 0.49444975492126 15.999 > 14 94 O 0.50000000000000 0.85207552809836 0.49444975492126 15.999 > 14 95 O 0.50000000000000 0.35207552809836 0.99444975492126 15.999 > 14 96 O 0.50000000000000 0.85207552809836 0.99444975492126 15.999 > 14 97 O 0.50000000000000 0.14792447190164 0.00555024507874 15.999 > 15 98 O 0.50000000000000 0.64792447190164 0.00555024507874 15.999 > 15 99 O 0.50000000000000 0.14792447190164 0.50555024507874 15.999 > 15 100 O 0.50000000000000 0.64792447190164 0.50555024507874 15.999 > 15 101 O 0.50000000000000 0.14792447190164 0.24444975492126 15.999 > 16 102 O 0.50000000000000 0.64792447190164 0.24444975492126 15.999 > 16 103 O 0.50000000000000 0.14792447190164 0.74444975492126 15.999 > 16 104 O 0.50000000000000 0.64792447190164 0.74444975492126 15.999 > 16 105 O 0.71075841492807 0.49161413925194 0.12500000000000 15.999 > 17 106 O 0.71075841492807 0.99161413925194 0.12500000000000 15.999 > 17 107 O 0.71075841492807 0.49161413925194 0.62500000000000 15.999 > 17 108 O 0.71075841492807 0.99161413925194 0.62500000000000 15.999 > 17 109 O 0.71075841492807 0.00838586074806 0.37500000000000 15.999 > 18 110 O 0.71075841492807 0.50838586074806 0.37500000000000 15.999 > 18 111 O 0.71075841492807 0.00838586074806 0.87500000000000 15.999 > 18 112 O 0.71075841492807 0.50838586074806 0.87500000000000 15.999 > 18 113 O 0.78924158507193 0.24161413925194 0.12500000000000 15.999 > 11 114 O 0.78924158507193 0.74161413925194 0.12500000000000 15.999 > 11 115 O 0.78924158507193 0.24161413925194 0.62500000000000 15.999 > 11 116 O 0.78924158507193 0.74161413925194 0.62500000000000 15.999 > 11 117 O 0.78924158507193 0.25838586074806 0.37500000000000 15.999 > 12 118 O 0.78924158507193 0.75838586074806 0.37500000000000 15.999 > 12 119 O 0.78924158507193 0.25838586074806 0.87500000000000 15.999 > 12 120 O 0.78924158507193 0.75838586074806 0.87500000000000 15.999 > 12 121 O 0.00000000000000 0.10207552809836 0.25555024507874 15.999 > 13 122 O 0.00000000000000 0.60207552809836 0.25555024507874 15.999 > 13 123 O 0.00000000000000 0.10207552809836 0.75555024507874 15.999 > 13 124 O 0.00000000000000 0.60207552809836 0.75555024507874 15.999 > 13 125 O 0.00000000000000 0.10207552809836 0.49444975492126 15.999 > 14 126 O 0.00000000000000 0.60207552809836 0.49444975492126 15.999 > 14 127 O 0.00000000000000 0.10207552809836 0.99444975492126 15.999 > 14 128 O 0.00000000000000 0.60207552809836 0.99444975492126 15.999 > 14 129 O 0.00000000000000 0.39792447190164 0.00555024507874 15.999 > 15 130 O 0.00000000000000 0.89792447190164 0.00555024507874 15.999 > 15 131 O 0.00000000000000 0.39792447190164 0.50555024507874 15.999 > 15 132 O 0.00000000000000 0.89792447190164 0.50555024507874 15.999 > 15 133 O 0.00000000000000 0.39792447190164 0.24444975492126 15.999 > 16 134 O 0.00000000000000 0.89792447190164 0.24444975492126 15.999 > 16 135 O 0.00000000000000 0.39792447190164 0.74444975492126 15.999 > 16 136 O 0.00000000000000 0.89792447190164 0.74444975492126 15.999 > 16 137 O 0.21075841492807 0.24161413925194 0.12500000000000 15.999 > 17 138 O 0.21075841492807 0.74161413925194 0.12500000000000 15.999 > 17 139 O 0.21075841492807 0.24161413925194 0.62500000000000 15.999 > 17 140 O 0.21075841492807 0.74161413925194 0.62500000000000 15.999 > 17 141 O 0.21075841492807 0.25838586074806 0.37500000000000 15.999 > 18 142 O 0.21075841492807 0.75838586074806 0.37500000000000 15.999 > 18 143 O 0.21075841492807 0.25838586074806 0.87500000000000 15.999 > 18 144 O 0.21075841492807 0.75838586074806 0.87500000000000 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4295832 0.0000000 0.0000000 0.0000000 3.2243263 0.0000000 0.0000000 0.0000000 3.4045380 -------------------------- Born effective charges -------------------------- 1 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 2 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 3 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 4 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 5 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 6 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 7 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 8 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 9 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 10 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 11 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 12 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 13 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 14 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 15 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 16 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 17 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 18 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 ---------------------------------------------------------------------------- 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: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1589), data: False |-- (236, 236), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (312, 308), data: True |-- (332, 328), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.900 Solver_block: 200 / 320 - Time: 2.946 Solver_block: 300 / 320 - Time: 2.947 Solver_block: 320 / 320 - Time: 0.685 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.516 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1589), data: False |-- (236, 236), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (312, 308), data: True |-- (332, 328), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:55:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:55:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.077801620000000 -3.648591635000001 0.000000000000000 b 4.077801620000000 3.648591635000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.376700060000000 Atomic positions (fractional): 1 Li 0.15621588815453 0.15621588815453 0.00000000000000 6.941 2 Li 0.15621588815453 0.15621588815453 0.50000000000000 6.941 3 Li 0.11325930736938 0.60017284587759 0.25000000000000 6.941 4 Li 0.60017284587759 0.11325930736938 0.75000000000000 6.941 5 Li 0.39982715412241 0.88674069263062 0.25000000000000 6.941 6 Li 0.88674069263062 0.39982715412241 0.75000000000000 6.941 7 Li 0.84378411184547 0.84378411184547 0.00000000000000 6.941 8 Li 0.84378411184547 0.84378411184547 0.50000000000000 6.941 9 Zr 0.34828225038427 0.65171774961573 0.75000000000000 91.224 10 Zr 0.65171774961573 0.34828225038427 0.25000000000000 91.224 11 O 0.30601330656805 0.27246986357582 0.25000000000000 15.999 12 O 0.27246986357582 0.30601330656805 0.75000000000000 15.999 13 O 0.79584894380328 0.20415105619672 0.51110049015748 15.999 14 O 0.79584894380328 0.20415105619672 0.98889950984252 15.999 15 O 0.20415105619672 0.79584894380328 0.01110049015748 15.999 16 O 0.20415105619672 0.79584894380328 0.48889950984252 15.999 17 O 0.72753013642418 0.69398669343195 0.25000000000000 15.999 18 O 0.69398669343195 0.72753013642418 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.155603240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594366540000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.753400120000000 Atomic positions (fractional): 1 Li 0.15621588815453 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15621588815453 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15621588815453 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15621588815453 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.15621588815453 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.15621588815453 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.15621588815453 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.15621588815453 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.35671607662349 0.12172838462705 0.12500000000000 6.941 > 9 10 Li 0.35671607662349 0.62172838462705 0.12500000000000 6.941 > 9 11 Li 0.35671607662349 0.12172838462705 0.62500000000000 6.941 > 9 12 Li 0.35671607662349 0.62172838462705 0.62500000000000 6.941 > 9 13 Li 0.35671607662349 0.37827161537295 0.37500000000000 6.941 > 13 14 Li 0.35671607662349 0.87827161537295 0.37500000000000 6.941 > 13 15 Li 0.35671607662349 0.37827161537295 0.87500000000000 6.941 > 13 16 Li 0.35671607662349 0.87827161537295 0.87500000000000 6.941 > 13 17 Li 0.64328392337651 0.12172838462705 0.12500000000000 6.941 > 17 18 Li 0.64328392337651 0.62172838462705 0.12500000000000 6.941 > 17 19 Li 0.64328392337651 0.12172838462705 0.62500000000000 6.941 > 17 20 Li 0.64328392337651 0.62172838462705 0.62500000000000 6.941 > 17 21 Li 0.64328392337651 0.37827161537295 0.37500000000000 6.941 > 21 22 Li 0.64328392337651 0.87827161537295 0.37500000000000 6.941 > 21 23 Li 0.64328392337651 0.37827161537295 0.87500000000000 6.941 > 21 24 Li 0.64328392337651 0.87827161537295 0.87500000000000 6.941 > 21 25 Li 0.84378411184547 0.00000000000000 0.00000000000000 6.941 > 25 26 Li 0.84378411184547 0.50000000000000 0.00000000000000 6.941 > 25 27 Li 0.84378411184547 0.00000000000000 0.50000000000000 6.941 > 25 28 Li 0.84378411184547 0.50000000000000 0.50000000000000 6.941 > 25 29 Li 0.84378411184547 0.00000000000000 0.25000000000000 6.941 > 29 30 Li 0.84378411184547 0.50000000000000 0.25000000000000 6.941 > 29 31 Li 0.84378411184547 0.00000000000000 0.75000000000000 6.941 > 29 32 Li 0.84378411184547 0.50000000000000 0.75000000000000 6.941 > 29 33 Li 0.65621588815453 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65621588815453 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65621588815453 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65621588815453 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.65621588815453 0.25000000000000 0.25000000000000 6.941 > 5 38 Li 0.65621588815453 0.75000000000000 0.25000000000000 6.941 > 5 39 Li 0.65621588815453 0.25000000000000 0.75000000000000 6.941 > 5 40 Li 0.65621588815453 0.75000000000000 0.75000000000000 6.941 > 5 41 Li 0.85671607662349 0.37172838462705 0.12500000000000 6.941 > 9 42 Li 0.85671607662349 0.87172838462705 0.12500000000000 6.941 > 9 43 Li 0.85671607662349 0.37172838462705 0.62500000000000 6.941 > 9 44 Li 0.85671607662349 0.87172838462705 0.62500000000000 6.941 > 9 45 Li 0.85671607662349 0.12827161537295 0.37500000000000 6.941 > 13 46 Li 0.85671607662349 0.62827161537295 0.37500000000000 6.941 > 13 47 Li 0.85671607662349 0.12827161537295 0.87500000000000 6.941 > 13 48 Li 0.85671607662349 0.62827161537295 0.87500000000000 6.941 > 13 49 Li 0.14328392337651 0.37172838462705 0.12500000000000 6.941 > 17 50 Li 0.14328392337651 0.87172838462705 0.12500000000000 6.941 > 17 51 Li 0.14328392337651 0.37172838462705 0.62500000000000 6.941 > 17 52 Li 0.14328392337651 0.87172838462705 0.62500000000000 6.941 > 17 53 Li 0.14328392337651 0.12827161537295 0.37500000000000 6.941 > 21 54 Li 0.14328392337651 0.62827161537295 0.37500000000000 6.941 > 21 55 Li 0.14328392337651 0.12827161537295 0.87500000000000 6.941 > 21 56 Li 0.14328392337651 0.62827161537295 0.87500000000000 6.941 > 21 57 Li 0.34378411184547 0.25000000000000 0.00000000000000 6.941 > 25 58 Li 0.34378411184547 0.75000000000000 0.00000000000000 6.941 > 25 59 Li 0.34378411184547 0.25000000000000 0.50000000000000 6.941 > 25 60 Li 0.34378411184547 0.75000000000000 0.50000000000000 6.941 > 25 61 Li 0.34378411184547 0.25000000000000 0.25000000000000 6.941 > 29 62 Li 0.34378411184547 0.75000000000000 0.25000000000000 6.941 > 29 63 Li 0.34378411184547 0.25000000000000 0.75000000000000 6.941 > 29 64 Li 0.34378411184547 0.75000000000000 0.75000000000000 6.941 > 29 65 Zr 0.50000000000000 0.07585887480787 0.37500000000000 91.224 > 65 66 Zr 0.50000000000000 0.57585887480787 0.37500000000000 91.224 > 65 67 Zr 0.50000000000000 0.07585887480787 0.87500000000000 91.224 > 65 68 Zr 0.50000000000000 0.57585887480787 0.87500000000000 91.224 > 65 69 Zr 0.50000000000000 0.42414112519213 0.12500000000000 91.224 > 69 70 Zr 0.50000000000000 0.92414112519213 0.12500000000000 91.224 > 69 71 Zr 0.50000000000000 0.42414112519213 0.62500000000000 91.224 > 69 72 Zr 0.50000000000000 0.92414112519213 0.62500000000000 91.224 > 69 73 Zr 0.00000000000000 0.32585887480787 0.37500000000000 91.224 > 65 74 Zr 0.00000000000000 0.82585887480787 0.37500000000000 91.224 > 65 75 Zr 0.00000000000000 0.32585887480787 0.87500000000000 91.224 > 65 76 Zr 0.00000000000000 0.82585887480787 0.87500000000000 91.224 > 65 77 Zr 0.00000000000000 0.17414112519213 0.12500000000000 91.224 > 69 78 Zr 0.00000000000000 0.67414112519213 0.12500000000000 91.224 > 69 79 Zr 0.00000000000000 0.17414112519213 0.62500000000000 91.224 > 69 80 Zr 0.00000000000000 0.67414112519213 0.62500000000000 91.224 > 69 81 O 0.28924158507193 0.49161413925194 0.12500000000000 15.999 > 81 82 O 0.28924158507193 0.99161413925194 0.12500000000000 15.999 > 81 83 O 0.28924158507193 0.49161413925194 0.62500000000000 15.999 > 81 84 O 0.28924158507193 0.99161413925194 0.62500000000000 15.999 > 81 85 O 0.28924158507193 0.00838586074806 0.37500000000000 15.999 > 85 86 O 0.28924158507193 0.50838586074806 0.37500000000000 15.999 > 85 87 O 0.28924158507193 0.00838586074806 0.87500000000000 15.999 > 85 88 O 0.28924158507193 0.50838586074806 0.87500000000000 15.999 > 85 89 O 0.50000000000000 0.35207552809836 0.25555024507874 15.999 > 89 90 O 0.50000000000000 0.85207552809836 0.25555024507874 15.999 > 89 91 O 0.50000000000000 0.35207552809836 0.75555024507874 15.999 > 89 92 O 0.50000000000000 0.85207552809836 0.75555024507874 15.999 > 89 93 O 0.50000000000000 0.35207552809836 0.49444975492126 15.999 > 93 94 O 0.50000000000000 0.85207552809836 0.49444975492126 15.999 > 93 95 O 0.50000000000000 0.35207552809836 0.99444975492126 15.999 > 93 96 O 0.50000000000000 0.85207552809836 0.99444975492126 15.999 > 93 97 O 0.50000000000000 0.14792447190164 0.00555024507874 15.999 > 97 98 O 0.50000000000000 0.64792447190164 0.00555024507874 15.999 > 97 99 O 0.50000000000000 0.14792447190164 0.50555024507874 15.999 > 97 100 O 0.50000000000000 0.64792447190164 0.50555024507874 15.999 > 97 101 O 0.50000000000000 0.14792447190164 0.24444975492126 15.999 > 101 102 O 0.50000000000000 0.64792447190164 0.24444975492126 15.999 > 101 103 O 0.50000000000000 0.14792447190164 0.74444975492126 15.999 > 101 104 O 0.50000000000000 0.64792447190164 0.74444975492126 15.999 > 101 105 O 0.71075841492807 0.49161413925194 0.12500000000000 15.999 > 105 106 O 0.71075841492807 0.99161413925194 0.12500000000000 15.999 > 105 107 O 0.71075841492807 0.49161413925194 0.62500000000000 15.999 > 105 108 O 0.71075841492807 0.99161413925194 0.62500000000000 15.999 > 105 109 O 0.71075841492807 0.00838586074806 0.37500000000000 15.999 > 109 110 O 0.71075841492807 0.50838586074806 0.37500000000000 15.999 > 109 111 O 0.71075841492807 0.00838586074806 0.87500000000000 15.999 > 109 112 O 0.71075841492807 0.50838586074806 0.87500000000000 15.999 > 109 113 O 0.78924158507193 0.24161413925194 0.12500000000000 15.999 > 81 114 O 0.78924158507193 0.74161413925194 0.12500000000000 15.999 > 81 115 O 0.78924158507193 0.24161413925194 0.62500000000000 15.999 > 81 116 O 0.78924158507193 0.74161413925194 0.62500000000000 15.999 > 81 117 O 0.78924158507193 0.25838586074806 0.37500000000000 15.999 > 85 118 O 0.78924158507193 0.75838586074806 0.37500000000000 15.999 > 85 119 O 0.78924158507193 0.25838586074806 0.87500000000000 15.999 > 85 120 O 0.78924158507193 0.75838586074806 0.87500000000000 15.999 > 85 121 O 0.00000000000000 0.10207552809836 0.25555024507874 15.999 > 89 122 O 0.00000000000000 0.60207552809836 0.25555024507874 15.999 > 89 123 O 0.00000000000000 0.10207552809836 0.75555024507874 15.999 > 89 124 O 0.00000000000000 0.60207552809836 0.75555024507874 15.999 > 89 125 O 0.00000000000000 0.10207552809836 0.49444975492126 15.999 > 93 126 O 0.00000000000000 0.60207552809836 0.49444975492126 15.999 > 93 127 O 0.00000000000000 0.10207552809836 0.99444975492126 15.999 > 93 128 O 0.00000000000000 0.60207552809836 0.99444975492126 15.999 > 93 129 O 0.00000000000000 0.39792447190164 0.00555024507874 15.999 > 97 130 O 0.00000000000000 0.89792447190164 0.00555024507874 15.999 > 97 131 O 0.00000000000000 0.39792447190164 0.50555024507874 15.999 > 97 132 O 0.00000000000000 0.89792447190164 0.50555024507874 15.999 > 97 133 O 0.00000000000000 0.39792447190164 0.24444975492126 15.999 > 101 134 O 0.00000000000000 0.89792447190164 0.24444975492126 15.999 > 101 135 O 0.00000000000000 0.39792447190164 0.74444975492126 15.999 > 101 136 O 0.00000000000000 0.89792447190164 0.74444975492126 15.999 > 101 137 O 0.21075841492807 0.24161413925194 0.12500000000000 15.999 > 105 138 O 0.21075841492807 0.74161413925194 0.12500000000000 15.999 > 105 139 O 0.21075841492807 0.24161413925194 0.62500000000000 15.999 > 105 140 O 0.21075841492807 0.74161413925194 0.62500000000000 15.999 > 105 141 O 0.21075841492807 0.25838586074806 0.37500000000000 15.999 > 109 142 O 0.21075841492807 0.75838586074806 0.37500000000000 15.999 > 109 143 O 0.21075841492807 0.25838586074806 0.87500000000000 15.999 > 109 144 O 0.21075841492807 0.75838586074806 0.87500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4295832 0.0000000 0.0000000 0.0000000 3.2243263 0.0000000 0.0000000 0.0000000 3.4045380 -------------------------- Born effective charges -------------------------- 1 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 2 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 3 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 4 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 5 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 6 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 7 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 8 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 9 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 10 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 11 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 12 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 13 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 14 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 15 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 16 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 17 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 18 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:56:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.077801620000000 -3.648591635000001 0.000000000000000 b 4.077801620000000 3.648591635000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.376700060000000 Atomic positions (fractional): 1 Li 0.15621588815453 0.15621588815453 0.00000000000000 6.941 2 Li 0.15621588815453 0.15621588815453 0.50000000000000 6.941 3 Li 0.11325930736938 0.60017284587759 0.25000000000000 6.941 4 Li 0.60017284587759 0.11325930736938 0.75000000000000 6.941 5 Li 0.39982715412241 0.88674069263062 0.25000000000000 6.941 6 Li 0.88674069263062 0.39982715412241 0.75000000000000 6.941 7 Li 0.84378411184547 0.84378411184547 0.00000000000000 6.941 8 Li 0.84378411184547 0.84378411184547 0.50000000000000 6.941 9 Zr 0.34828225038427 0.65171774961573 0.75000000000000 91.224 10 Zr 0.65171774961573 0.34828225038427 0.25000000000000 91.224 11 O 0.30601330656805 0.27246986357582 0.25000000000000 15.999 12 O 0.27246986357582 0.30601330656805 0.75000000000000 15.999 13 O 0.79584894380328 0.20415105619672 0.51110049015748 15.999 14 O 0.79584894380328 0.20415105619672 0.98889950984252 15.999 15 O 0.20415105619672 0.79584894380328 0.01110049015748 15.999 16 O 0.20415105619672 0.79584894380328 0.48889950984252 15.999 17 O 0.72753013642418 0.69398669343195 0.25000000000000 15.999 18 O 0.69398669343195 0.72753013642418 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.155603240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594366540000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.753400120000000 Atomic positions (fractional): 1 Li 0.15621588815453 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15621588815453 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15621588815453 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15621588815453 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.15621588815453 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.15621588815453 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.15621588815453 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.15621588815453 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.35671607662349 0.12172838462705 0.12500000000000 6.941 > 9 10 Li 0.35671607662349 0.62172838462705 0.12500000000000 6.941 > 9 11 Li 0.35671607662349 0.12172838462705 0.62500000000000 6.941 > 9 12 Li 0.35671607662349 0.62172838462705 0.62500000000000 6.941 > 9 13 Li 0.35671607662349 0.37827161537295 0.37500000000000 6.941 > 13 14 Li 0.35671607662349 0.87827161537295 0.37500000000000 6.941 > 13 15 Li 0.35671607662349 0.37827161537295 0.87500000000000 6.941 > 13 16 Li 0.35671607662349 0.87827161537295 0.87500000000000 6.941 > 13 17 Li 0.64328392337651 0.12172838462705 0.12500000000000 6.941 > 17 18 Li 0.64328392337651 0.62172838462705 0.12500000000000 6.941 > 17 19 Li 0.64328392337651 0.12172838462705 0.62500000000000 6.941 > 17 20 Li 0.64328392337651 0.62172838462705 0.62500000000000 6.941 > 17 21 Li 0.64328392337651 0.37827161537295 0.37500000000000 6.941 > 21 22 Li 0.64328392337651 0.87827161537295 0.37500000000000 6.941 > 21 23 Li 0.64328392337651 0.37827161537295 0.87500000000000 6.941 > 21 24 Li 0.64328392337651 0.87827161537295 0.87500000000000 6.941 > 21 25 Li 0.84378411184547 0.00000000000000 0.00000000000000 6.941 > 25 26 Li 0.84378411184547 0.50000000000000 0.00000000000000 6.941 > 25 27 Li 0.84378411184547 0.00000000000000 0.50000000000000 6.941 > 25 28 Li 0.84378411184547 0.50000000000000 0.50000000000000 6.941 > 25 29 Li 0.84378411184547 0.00000000000000 0.25000000000000 6.941 > 29 30 Li 0.84378411184547 0.50000000000000 0.25000000000000 6.941 > 29 31 Li 0.84378411184547 0.00000000000000 0.75000000000000 6.941 > 29 32 Li 0.84378411184547 0.50000000000000 0.75000000000000 6.941 > 29 33 Li 0.65621588815453 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65621588815453 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65621588815453 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65621588815453 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.65621588815453 0.25000000000000 0.25000000000000 6.941 > 5 38 Li 0.65621588815453 0.75000000000000 0.25000000000000 6.941 > 5 39 Li 0.65621588815453 0.25000000000000 0.75000000000000 6.941 > 5 40 Li 0.65621588815453 0.75000000000000 0.75000000000000 6.941 > 5 41 Li 0.85671607662349 0.37172838462705 0.12500000000000 6.941 > 9 42 Li 0.85671607662349 0.87172838462705 0.12500000000000 6.941 > 9 43 Li 0.85671607662349 0.37172838462705 0.62500000000000 6.941 > 9 44 Li 0.85671607662349 0.87172838462705 0.62500000000000 6.941 > 9 45 Li 0.85671607662349 0.12827161537295 0.37500000000000 6.941 > 13 46 Li 0.85671607662349 0.62827161537295 0.37500000000000 6.941 > 13 47 Li 0.85671607662349 0.12827161537295 0.87500000000000 6.941 > 13 48 Li 0.85671607662349 0.62827161537295 0.87500000000000 6.941 > 13 49 Li 0.14328392337651 0.37172838462705 0.12500000000000 6.941 > 17 50 Li 0.14328392337651 0.87172838462705 0.12500000000000 6.941 > 17 51 Li 0.14328392337651 0.37172838462705 0.62500000000000 6.941 > 17 52 Li 0.14328392337651 0.87172838462705 0.62500000000000 6.941 > 17 53 Li 0.14328392337651 0.12827161537295 0.37500000000000 6.941 > 21 54 Li 0.14328392337651 0.62827161537295 0.37500000000000 6.941 > 21 55 Li 0.14328392337651 0.12827161537295 0.87500000000000 6.941 > 21 56 Li 0.14328392337651 0.62827161537295 0.87500000000000 6.941 > 21 57 Li 0.34378411184547 0.25000000000000 0.00000000000000 6.941 > 25 58 Li 0.34378411184547 0.75000000000000 0.00000000000000 6.941 > 25 59 Li 0.34378411184547 0.25000000000000 0.50000000000000 6.941 > 25 60 Li 0.34378411184547 0.75000000000000 0.50000000000000 6.941 > 25 61 Li 0.34378411184547 0.25000000000000 0.25000000000000 6.941 > 29 62 Li 0.34378411184547 0.75000000000000 0.25000000000000 6.941 > 29 63 Li 0.34378411184547 0.25000000000000 0.75000000000000 6.941 > 29 64 Li 0.34378411184547 0.75000000000000 0.75000000000000 6.941 > 29 65 Zr 0.50000000000000 0.07585887480787 0.37500000000000 91.224 > 65 66 Zr 0.50000000000000 0.57585887480787 0.37500000000000 91.224 > 65 67 Zr 0.50000000000000 0.07585887480787 0.87500000000000 91.224 > 65 68 Zr 0.50000000000000 0.57585887480787 0.87500000000000 91.224 > 65 69 Zr 0.50000000000000 0.42414112519213 0.12500000000000 91.224 > 69 70 Zr 0.50000000000000 0.92414112519213 0.12500000000000 91.224 > 69 71 Zr 0.50000000000000 0.42414112519213 0.62500000000000 91.224 > 69 72 Zr 0.50000000000000 0.92414112519213 0.62500000000000 91.224 > 69 73 Zr 0.00000000000000 0.32585887480787 0.37500000000000 91.224 > 65 74 Zr 0.00000000000000 0.82585887480787 0.37500000000000 91.224 > 65 75 Zr 0.00000000000000 0.32585887480787 0.87500000000000 91.224 > 65 76 Zr 0.00000000000000 0.82585887480787 0.87500000000000 91.224 > 65 77 Zr 0.00000000000000 0.17414112519213 0.12500000000000 91.224 > 69 78 Zr 0.00000000000000 0.67414112519213 0.12500000000000 91.224 > 69 79 Zr 0.00000000000000 0.17414112519213 0.62500000000000 91.224 > 69 80 Zr 0.00000000000000 0.67414112519213 0.62500000000000 91.224 > 69 81 O 0.28924158507193 0.49161413925194 0.12500000000000 15.999 > 81 82 O 0.28924158507193 0.99161413925194 0.12500000000000 15.999 > 81 83 O 0.28924158507193 0.49161413925194 0.62500000000000 15.999 > 81 84 O 0.28924158507193 0.99161413925194 0.62500000000000 15.999 > 81 85 O 0.28924158507193 0.00838586074806 0.37500000000000 15.999 > 85 86 O 0.28924158507193 0.50838586074806 0.37500000000000 15.999 > 85 87 O 0.28924158507193 0.00838586074806 0.87500000000000 15.999 > 85 88 O 0.28924158507193 0.50838586074806 0.87500000000000 15.999 > 85 89 O 0.50000000000000 0.35207552809836 0.25555024507874 15.999 > 89 90 O 0.50000000000000 0.85207552809836 0.25555024507874 15.999 > 89 91 O 0.50000000000000 0.35207552809836 0.75555024507874 15.999 > 89 92 O 0.50000000000000 0.85207552809836 0.75555024507874 15.999 > 89 93 O 0.50000000000000 0.35207552809836 0.49444975492126 15.999 > 93 94 O 0.50000000000000 0.85207552809836 0.49444975492126 15.999 > 93 95 O 0.50000000000000 0.35207552809836 0.99444975492126 15.999 > 93 96 O 0.50000000000000 0.85207552809836 0.99444975492126 15.999 > 93 97 O 0.50000000000000 0.14792447190164 0.00555024507874 15.999 > 97 98 O 0.50000000000000 0.64792447190164 0.00555024507874 15.999 > 97 99 O 0.50000000000000 0.14792447190164 0.50555024507874 15.999 > 97 100 O 0.50000000000000 0.64792447190164 0.50555024507874 15.999 > 97 101 O 0.50000000000000 0.14792447190164 0.24444975492126 15.999 > 101 102 O 0.50000000000000 0.64792447190164 0.24444975492126 15.999 > 101 103 O 0.50000000000000 0.14792447190164 0.74444975492126 15.999 > 101 104 O 0.50000000000000 0.64792447190164 0.74444975492126 15.999 > 101 105 O 0.71075841492807 0.49161413925194 0.12500000000000 15.999 > 105 106 O 0.71075841492807 0.99161413925194 0.12500000000000 15.999 > 105 107 O 0.71075841492807 0.49161413925194 0.62500000000000 15.999 > 105 108 O 0.71075841492807 0.99161413925194 0.62500000000000 15.999 > 105 109 O 0.71075841492807 0.00838586074806 0.37500000000000 15.999 > 109 110 O 0.71075841492807 0.50838586074806 0.37500000000000 15.999 > 109 111 O 0.71075841492807 0.00838586074806 0.87500000000000 15.999 > 109 112 O 0.71075841492807 0.50838586074806 0.87500000000000 15.999 > 109 113 O 0.78924158507193 0.24161413925194 0.12500000000000 15.999 > 81 114 O 0.78924158507193 0.74161413925194 0.12500000000000 15.999 > 81 115 O 0.78924158507193 0.24161413925194 0.62500000000000 15.999 > 81 116 O 0.78924158507193 0.74161413925194 0.62500000000000 15.999 > 81 117 O 0.78924158507193 0.25838586074806 0.37500000000000 15.999 > 85 118 O 0.78924158507193 0.75838586074806 0.37500000000000 15.999 > 85 119 O 0.78924158507193 0.25838586074806 0.87500000000000 15.999 > 85 120 O 0.78924158507193 0.75838586074806 0.87500000000000 15.999 > 85 121 O 0.00000000000000 0.10207552809836 0.25555024507874 15.999 > 89 122 O 0.00000000000000 0.60207552809836 0.25555024507874 15.999 > 89 123 O 0.00000000000000 0.10207552809836 0.75555024507874 15.999 > 89 124 O 0.00000000000000 0.60207552809836 0.75555024507874 15.999 > 89 125 O 0.00000000000000 0.10207552809836 0.49444975492126 15.999 > 93 126 O 0.00000000000000 0.60207552809836 0.49444975492126 15.999 > 93 127 O 0.00000000000000 0.10207552809836 0.99444975492126 15.999 > 93 128 O 0.00000000000000 0.60207552809836 0.99444975492126 15.999 > 93 129 O 0.00000000000000 0.39792447190164 0.00555024507874 15.999 > 97 130 O 0.00000000000000 0.89792447190164 0.00555024507874 15.999 > 97 131 O 0.00000000000000 0.39792447190164 0.50555024507874 15.999 > 97 132 O 0.00000000000000 0.89792447190164 0.50555024507874 15.999 > 97 133 O 0.00000000000000 0.39792447190164 0.24444975492126 15.999 > 101 134 O 0.00000000000000 0.89792447190164 0.24444975492126 15.999 > 101 135 O 0.00000000000000 0.39792447190164 0.74444975492126 15.999 > 101 136 O 0.00000000000000 0.89792447190164 0.74444975492126 15.999 > 101 137 O 0.21075841492807 0.24161413925194 0.12500000000000 15.999 > 105 138 O 0.21075841492807 0.74161413925194 0.12500000000000 15.999 > 105 139 O 0.21075841492807 0.24161413925194 0.62500000000000 15.999 > 105 140 O 0.21075841492807 0.74161413925194 0.62500000000000 15.999 > 105 141 O 0.21075841492807 0.25838586074806 0.37500000000000 15.999 > 109 142 O 0.21075841492807 0.75838586074806 0.37500000000000 15.999 > 109 143 O 0.21075841492807 0.25838586074806 0.87500000000000 15.999 > 109 144 O 0.21075841492807 0.75838586074806 0.87500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4295832 0.0000000 0.0000000 0.0000000 3.2243263 0.0000000 0.0000000 0.0000000 3.4045380 -------------------------- Born effective charges -------------------------- 1 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 2 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 3 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 4 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 5 Li 0.9992272 0.2547182 0.0000000 0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 6 Li 0.9992272 -0.2547182 0.0000000 -0.1383852 0.9730466 0.0000000 0.0000000 0.0000000 1.1285516 7 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 -0.1408482 0.0000000 0.1269051 0.9045173 8 Li 1.1403026 0.0000000 0.0000000 0.0000000 1.0546056 0.1408482 0.0000000 -0.1269051 0.9045173 9 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 10 Zr 3.5933605 0.0000000 0.0000000 0.0000000 3.1282333 0.0000000 0.0000000 0.0000000 3.8968189 11 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 12 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 13 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 14 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 15 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 -0.4064229 0.0000000 -0.6550679 -2.5506936 16 O -1.4732183 0.0000000 0.0000000 0.0000000 -1.8179638 0.4064229 0.0000000 0.6550679 -2.5506936 17 O -2.4629918 -0.6430693 0.0000000 -0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 18 O -2.4629918 0.6430693 0.0000000 0.4884111 -1.7738050 0.0000000 0.0000000 0.0000000 -1.4307848 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 285, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 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 3.743 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.667 ( 0.000 0.000 0.000) 0.000 13.823 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 15.046 ( 0.000 0.000 0.000) 0.000 15.925 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.450 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 16.519 ( 0.000 0.000 0.000) 0.000 16.700 ( 0.000 0.000 0.000) 0.000 17.727 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.768 ( 0.000 0.000 0.000) 0.000 18.503 ( 0.000 0.000 0.000) 0.000 19.025 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 21.519 ( 0.000 0.000 0.000) 0.000 21.738 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 15.910 -31.901 0.000) 35.648 0.756 ( 23.549 -27.916 0.000) 36.522 1.154 ( 52.596 -28.527 0.000) 59.835 3.716 ( 0.873 4.352 0.000) 4.438 4.025 ( -5.980 10.613 0.000) 12.182 4.329 ( 18.664 -10.312 0.000) 21.324 4.662 ( -7.386 0.774 0.000) 7.426 6.090 ( -4.848 8.098 0.000) 9.438 6.391 ( 0.831 3.593 0.000) 3.687 7.497 ( -4.985 17.672 0.000) 18.362 7.863 ( -16.952 3.685 0.000) 17.348 7.997 ( -4.061 -4.509 0.000) 6.068 8.026 ( -15.101 -3.464 0.000) 15.493 8.197 ( -3.390 -2.645 0.000) 4.300 8.832 ( 14.456 -7.483 0.000) 16.278 9.044 ( -0.610 -3.972 0.000) 4.018 9.604 ( -1.339 23.476 0.000) 23.514 9.846 ( 4.180 2.826 0.000) 5.046 9.870 ( -18.748 6.885 0.000) 19.972 10.291 ( -9.067 -2.066 0.000) 9.299 10.644 ( -5.719 -27.523 0.000) 28.110 11.123 ( 0.126 2.191 0.000) 2.195 11.153 ( 13.444 2.620 0.000) 13.697 11.235 ( -12.047 -5.847 0.000) 13.391 11.646 ( 15.009 5.007 0.000) 15.822 11.888 ( 2.181 -2.416 0.000) 3.255 12.332 ( -2.806 12.108 0.000) 12.429 12.415 ( -1.283 1.079 0.000) 1.676 12.571 ( -12.110 -8.749 0.000) 14.940 12.815 ( -11.637 -5.212 0.000) 12.750 13.404 ( -5.351 -21.067 0.000) 21.736 13.565 ( -5.172 3.654 0.000) 6.332 13.627 ( -8.004 -4.971 0.000) 9.422 13.699 ( -6.268 3.352 0.000) 7.108 13.994 ( 9.708 2.060 0.000) 9.925 14.284 ( 2.800 21.904 0.000) 22.082 14.498 ( -0.284 -7.403 0.000) 7.408 14.542 ( -2.421 -1.768 0.000) 2.998 15.048 ( 1.096 0.805 0.000) 1.360 15.657 ( 36.986 20.260 0.000) 42.172 15.853 ( -7.899 -3.253 0.000) 8.543 16.120 ( 11.558 -2.367 0.000) 11.798 16.321 ( -1.081 10.910 0.000) 10.963 16.504 ( 2.075 1.083 0.000) 2.341 16.675 ( 5.712 -6.810 0.000) 8.889 17.301 ( -23.131 -30.426 0.000) 38.220 17.786 ( 2.781 -3.418 0.000) 4.407 17.792 ( 0.656 -2.599 0.000) 2.680 17.810 ( 1.627 -5.290 0.000) 5.535 18.903 ( 17.105 15.202 0.000) 22.884 18.996 ( -1.290 2.597 0.000) 2.899 21.289 ( 25.463 24.733 0.000) 35.498 21.550 ( 2.294 -1.979 0.000) 3.030 22.715 ( 1.478 5.122 0.000) 5.331 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 15.252 -28.967 0.000) 32.737 1.481 ( 21.769 -26.335 0.000) 34.168 2.280 ( 50.216 -25.772 0.000) 56.443 3.628 ( -0.062 8.352 0.000) 8.353 3.686 ( -10.188 17.847 0.000) 20.550 4.483 ( -13.939 2.783 0.000) 14.214 4.864 ( 27.888 -14.592 0.000) 31.475 5.782 ( -13.127 14.851 0.000) 19.821 6.347 ( 2.816 4.852 0.000) 5.610 7.209 ( -0.151 14.003 0.000) 14.004 7.665 ( -10.246 -0.194 0.000) 10.248 7.884 ( -15.439 -7.589 0.000) 17.204 7.907 ( -0.281 8.908 0.000) 8.912 8.189 ( -13.542 -9.832 0.000) 16.735 8.923 ( -11.269 5.914 0.000) 12.726 9.041 ( -9.966 0.586 0.000) 9.984 9.255 ( 9.116 15.659 0.000) 18.119 9.398 ( -24.379 9.702 0.000) 26.239 9.988 ( 8.123 -4.405 0.000) 9.241 10.171 ( -7.616 3.095 0.000) 8.221 10.974 ( 0.780 -21.098 0.000) 21.112 11.067 ( 0.341 6.014 0.000) 6.024 11.240 ( -6.513 -10.345 0.000) 12.225 11.325 ( 13.386 0.148 0.000) 13.387 11.644 ( 1.279 9.478 0.000) 9.564 11.953 ( 0.787 -2.260 0.000) 2.394 12.144 ( 0.796 7.318 0.000) 7.361 12.375 ( -1.155 1.650 0.000) 2.014 12.550 ( 2.121 2.018 0.000) 2.927 12.795 ( -5.406 -4.465 0.000) 7.011 13.378 ( -7.251 7.104 0.000) 10.151 13.478 ( -20.649 -8.996 0.000) 22.523 13.591 ( -3.905 3.067 0.000) 4.966 13.615 ( -6.773 -9.100 0.000) 11.343 14.058 ( 16.689 22.180 0.000) 27.758 14.082 ( 8.504 2.785 0.000) 8.948 14.540 ( -2.831 -2.943 0.000) 4.084 14.650 ( -0.343 -12.290 0.000) 12.295 15.049 ( 1.267 1.250 0.000) 1.780 15.818 ( -4.992 -3.376 0.000) 6.026 15.837 ( 16.525 4.223 0.000) 17.056 16.130 ( -0.171 12.449 0.000) 12.450 16.321 ( 10.166 -3.836 0.000) 10.865 16.537 ( 2.325 -0.463 0.000) 2.371 16.872 ( 9.813 -5.064 0.000) 11.043 17.489 ( -1.617 -15.030 0.000) 15.117 17.865 ( 1.516 -5.005 0.000) 5.229 17.877 ( 2.811 -3.424 0.000) 4.430 17.948 ( 2.373 -7.899 0.000) 8.247 18.906 ( 6.737 5.715 0.000) 8.835 18.914 ( -2.386 4.793 0.000) 5.354 21.250 ( 7.431 9.587 0.000) 12.130 21.642 ( 3.919 -4.571 0.000) 6.021 22.628 ( -1.742 6.021 0.000) 6.268 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 10.966 -22.887 0.000) 25.378 2.140 ( 18.677 -23.652 0.000) 30.137 3.152 ( 21.176 3.168 0.000) 21.412 3.350 ( 8.560 -1.858 0.000) 8.760 3.448 ( -3.689 12.339 0.000) 12.879 4.223 ( -14.333 2.964 0.000) 14.637 5.364 ( -13.922 12.865 0.000) 18.956 5.468 ( 28.009 -13.102 0.000) 30.922 6.334 ( 4.747 3.472 0.000) 5.882 7.092 ( 3.124 3.975 0.000) 5.056 7.484 ( -9.626 5.591 0.000) 11.132 7.778 ( -0.787 6.445 0.000) 6.493 7.910 ( -7.662 -14.515 0.000) 16.413 8.087 ( -11.786 5.765 0.000) 13.120 8.569 ( -10.603 12.611 0.000) 16.476 8.626 ( -31.843 -0.077 0.000) 31.843 9.126 ( -7.200 6.167 0.000) 9.480 9.240 ( 4.678 4.892 0.000) 6.769 10.007 ( -8.050 3.155 0.000) 8.646 10.149 ( 5.965 -3.594 0.000) 6.964 10.945 ( -0.074 9.413 0.000) 9.414 11.302 ( 6.770 -14.252 0.000) 15.779 11.314 ( -5.009 -7.705 0.000) 9.190 11.486 ( 8.117 -1.554 0.000) 8.264 11.516 ( -0.975 4.394 0.000) 4.501 11.950 ( -3.448 0.348 0.000) 3.465 12.111 ( 4.978 3.511 0.000) 6.092 12.339 ( -0.520 1.706 0.000) 1.784 12.567 ( 7.394 4.333 0.000) 8.571 12.763 ( -6.098 -1.459 0.000) 6.270 13.214 ( -2.705 4.193 0.000) 4.990 13.288 ( -17.767 -4.225 0.000) 18.263 13.478 ( -4.627 4.131 0.000) 6.202 13.640 ( -6.790 -6.059 0.000) 9.100 14.026 ( 15.283 12.920 0.000) 20.012 14.137 ( 5.081 2.100 0.000) 5.498 14.558 ( -1.241 -2.949 0.000) 3.200 14.831 ( -0.363 -11.069 0.000) 11.075 15.044 ( 0.798 1.196 0.000) 1.438 15.811 ( -2.598 -2.272 0.000) 3.452 15.913 ( 1.111 7.905 0.000) 7.983 16.049 ( 11.060 0.429 0.000) 11.068 16.492 ( 6.735 -2.961 0.000) 7.357 16.539 ( -2.326 1.081 0.000) 2.565 17.078 ( 10.359 -3.023 0.000) 10.791 17.678 ( 3.050 -7.604 0.000) 8.193 17.953 ( 1.258 -2.722 0.000) 2.999 17.979 ( 2.250 -6.209 0.000) 6.604 18.090 ( 1.493 -6.702 0.000) 6.866 18.794 ( -2.868 5.770 0.000) 6.444 18.912 ( 3.543 2.649 0.000) 4.424 21.206 ( 1.572 4.038 0.000) 4.333 21.792 ( 4.966 -6.710 0.000) 8.348 22.488 ( -3.678 7.213 0.000) 8.096 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 1.379 -7.242 0.000) 7.372 2.697 ( 14.016 -19.704 0.000) 24.181 3.045 ( 3.214 3.722 0.000) 4.918 3.147 ( -8.707 15.864 0.000) 18.096 3.599 ( 0.801 3.087 0.000) 3.189 4.174 ( 3.525 -4.624 0.000) 5.814 5.082 ( -5.785 4.920 0.000) 7.594 5.977 ( 18.228 -8.082 0.000) 19.939 6.359 ( 2.990 1.025 0.000) 3.161 7.162 ( 2.651 -8.069 0.000) 8.493 7.302 ( -5.141 2.838 0.000) 5.873 7.554 ( -16.000 19.222 0.000) 25.010 7.739 ( -1.798 4.262 0.000) 4.626 8.025 ( -2.176 -7.045 0.000) 7.373 8.332 ( -3.252 5.224 0.000) 6.154 8.558 ( -6.255 -18.977 0.000) 19.981 8.863 ( -6.037 15.658 0.000) 16.782 9.215 ( 0.803 2.318 0.000) 2.453 9.895 ( -3.131 0.948 0.000) 3.272 10.248 ( 2.396 -1.473 0.000) 2.812 10.827 ( -0.139 4.480 0.000) 4.483 11.332 ( -2.111 -2.126 0.000) 2.997 11.477 ( -0.317 0.829 0.000) 0.888 11.554 ( 4.441 -7.025 0.000) 8.311 11.581 ( 3.554 -0.152 0.000) 3.558 11.871 ( -4.036 1.779 0.000) 4.411 12.150 ( 3.003 -0.112 0.000) 3.005 12.308 ( -0.479 1.007 0.000) 1.115 12.607 ( 4.375 1.833 0.000) 4.744 12.695 ( -3.177 0.652 0.000) 3.243 13.162 ( -6.834 -1.623 0.000) 7.024 13.184 ( 1.502 -0.164 0.000) 1.511 13.356 ( -3.715 3.127 0.000) 4.856 13.629 ( -3.058 -1.987 0.000) 3.647 14.043 ( 5.568 4.155 0.000) 6.948 14.159 ( 1.522 0.739 0.000) 1.692 14.584 ( -0.113 -1.257 0.000) 1.262 14.951 ( -0.193 -4.498 0.000) 4.502 15.037 ( 0.239 0.524 0.000) 0.576 15.811 ( -0.794 -0.782 0.000) 1.115 15.812 ( -0.154 3.799 0.000) 3.802 16.246 ( 10.993 -3.944 0.000) 11.679 16.435 ( -7.565 3.450 0.000) 8.315 16.586 ( 2.321 -1.039 0.000) 2.543 17.216 ( 4.488 -0.968 0.000) 4.591 17.786 ( 1.534 -2.168 0.000) 2.656 17.992 ( 0.230 -1.089 0.000) 1.113 18.089 ( 1.415 -3.509 0.000) 3.783 18.178 ( 0.305 -2.783 0.000) 2.800 18.685 ( -1.610 3.262 0.000) 3.638 18.919 ( 1.335 0.899 0.000) 1.609 21.177 ( 0.047 1.105 0.000) 1.106 21.957 ( 3.697 -5.319 0.000) 6.478 22.331 ( -3.253 5.400 0.000) 6.304 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 29.324 -0.000 0.000) 29.324 0.993 ( 35.895 -0.000 0.000) 35.895 1.869 ( 65.975 -0.000 0.000) 65.975 3.773 ( 2.092 -0.000 0.000) 2.092 4.095 ( -4.339 0.000 0.000) 4.339 4.474 ( -8.020 0.000 0.000) 8.020 4.572 ( 22.324 -0.000 0.000) 22.324 6.097 ( -5.453 0.000 0.000) 5.453 6.430 ( 0.941 -0.000 0.000) 0.941 7.440 ( -33.816 0.000 0.000) 33.816 7.567 ( -7.713 0.000 0.000) 7.713 7.748 ( -8.446 0.000 0.000) 8.446 7.848 ( -12.620 0.000 0.000) 12.620 8.245 ( -5.402 0.000 0.000) 5.402 8.926 ( 1.418 -0.000 0.000) 1.418 8.993 ( -2.229 0.000 0.000) 2.229 9.660 ( -26.668 0.000 0.000) 26.668 9.856 ( 6.819 -0.000 0.000) 6.819 9.954 ( -5.097 0.000 0.000) 5.097 10.157 ( -0.618 0.000 0.000) 0.618 10.320 ( 8.953 -0.000 0.000) 8.953 10.973 ( -14.259 0.000 0.000) 14.259 11.139 ( 0.281 -0.000 0.000) 0.281 11.383 ( 16.053 -0.000 0.000) 16.053 11.866 ( 10.898 -0.000 0.000) 10.898 11.928 ( 5.728 -0.000 0.000) 5.728 12.284 ( -10.141 0.000 0.000) 10.141 12.393 ( -2.791 0.000 0.000) 2.791 12.457 ( -2.829 0.000 0.000) 2.829 12.763 ( 3.581 -0.000 0.000) 3.581 13.187 ( -0.536 0.000 0.000) 0.536 13.447 ( -10.827 0.000 0.000) 10.827 13.523 ( -6.271 0.000 0.000) 6.271 13.621 ( -6.643 0.000 0.000) 6.643 14.153 ( 9.903 -0.000 0.000) 9.903 14.437 ( 1.277 -0.000 0.000) 1.277 14.470 ( -5.493 0.000 0.000) 5.493 14.605 ( 7.444 -0.000 0.000) 7.444 15.075 ( 1.684 -0.000 0.000) 1.684 15.723 ( -6.388 0.000 0.000) 6.388 16.065 ( -3.583 0.000 0.000) 3.583 16.186 ( -7.969 0.000 0.000) 7.969 16.282 ( 13.672 -0.000 0.000) 13.672 16.521 ( -2.542 0.000 0.000) 2.542 16.648 ( 6.276 -0.000 0.000) 6.276 17.075 ( 18.116 -0.000 0.000) 18.116 17.785 ( 1.304 -0.000 0.000) 1.304 17.822 ( 4.312 -0.000 0.000) 4.312 17.917 ( 14.419 -0.000 0.000) 14.419 18.991 ( -2.409 0.000 0.000) 2.409 19.129 ( 2.815 -0.000 0.000) 2.815 21.546 ( 1.873 -0.000 0.000) 1.873 21.663 ( -4.902 0.000 0.000) 4.902 22.768 ( -2.947 0.000 0.000) 2.947 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 25.936 -20.413 0.000) 33.006 1.566 ( 31.943 -11.555 0.000) 33.969 2.797 ( 57.891 -8.439 0.000) 58.503 3.758 ( 2.011 6.180 0.000) 6.499 3.878 ( -5.544 17.269 0.000) 18.137 4.263 ( -18.602 -1.436 0.000) 18.657 5.098 ( 34.614 -9.345 0.000) 35.854 5.855 ( -11.366 16.662 0.000) 20.169 6.427 ( 1.559 1.987 0.000) 2.526 7.188 ( -26.254 -22.303 0.000) 34.449 7.336 ( -7.972 9.792 0.000) 12.626 7.637 ( -15.449 2.139 0.000) 15.597 7.740 ( -13.393 -13.270 0.000) 18.854 8.073 ( -8.002 7.320 0.000) 10.845 8.809 ( -14.986 2.494 0.000) 15.192 8.916 ( -13.343 5.366 0.000) 14.381 9.220 ( -20.606 4.919 0.000) 21.185 9.614 ( -3.145 15.018 0.000) 15.344 10.072 ( 11.865 -0.596 0.000) 11.880 10.114 ( -5.105 3.138 0.000) 5.993 10.707 ( 13.707 -18.357 0.000) 22.909 10.920 ( -9.344 -13.389 0.000) 16.327 11.134 ( 0.631 2.005 0.000) 2.102 11.577 ( 15.354 2.426 0.000) 15.544 11.798 ( -2.116 13.546 0.000) 13.710 12.003 ( 6.095 2.446 0.000) 6.567 12.245 ( 0.853 -0.405 0.000) 0.944 12.356 ( -2.672 -0.718 0.000) 2.767 12.471 ( -4.862 -8.337 0.000) 9.651 12.747 ( -3.004 1.227 0.000) 3.245 13.156 ( -10.551 -1.692 0.000) 10.686 13.383 ( -6.492 5.186 0.000) 8.309 13.399 ( -4.716 -7.949 0.000) 9.243 13.547 ( -4.966 0.260 0.000) 4.972 14.232 ( 5.215 4.109 0.000) 6.640 14.430 ( -4.055 -4.923 0.000) 6.378 14.525 ( 3.255 -5.453 0.000) 6.351 14.567 ( 11.413 15.780 0.000) 19.475 15.086 ( 1.205 1.169 0.000) 1.679 15.679 ( -4.987 -3.967 0.000) 6.373 15.980 ( 1.626 0.930 0.000) 1.873 16.226 ( -7.422 -5.795 0.000) 9.416 16.383 ( -6.324 2.517 0.000) 6.807 16.470 ( 13.517 0.333 0.000) 13.521 16.833 ( 2.987 -10.882 0.000) 11.285 17.344 ( 11.778 -5.574 0.000) 13.030 17.830 ( 2.185 -2.811 0.000) 3.560 17.899 ( 5.507 -0.687 0.000) 5.550 18.144 ( 20.596 2.575 0.000) 20.756 18.932 ( -3.212 2.584 0.000) 4.123 19.130 ( 7.248 7.066 0.000) 10.123 21.480 ( -0.752 10.633 0.000) 10.660 21.620 ( 1.629 -3.439 0.000) 3.805 22.680 ( -3.549 4.572 0.000) 5.788 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 19.597 -18.211 0.000) 26.752 2.166 ( 26.545 -13.890 0.000) 29.959 3.502 ( -2.043 21.380 0.000) 21.478 3.575 ( 30.481 -4.783 0.000) 30.854 3.625 ( -0.165 13.400 0.000) 13.401 4.069 ( -7.153 -1.914 0.000) 7.405 5.405 ( -12.467 16.621 0.000) 20.777 5.696 ( 30.603 -8.704 0.000) 31.816 6.420 ( 1.762 2.122 0.000) 2.758 7.113 ( -9.659 3.421 0.000) 10.247 7.304 ( -22.235 -30.436 0.000) 37.693 7.391 ( -12.305 2.229 0.000) 12.506 7.753 ( -10.142 -6.370 0.000) 11.976 7.918 ( -7.111 -7.428 0.000) 10.283 8.359 ( -25.718 21.427 0.000) 33.474 8.537 ( -13.688 3.774 0.000) 14.199 9.080 ( -6.211 -0.553 0.000) 6.235 9.406 ( -3.664 7.543 0.000) 8.386 9.968 ( -5.237 4.371 0.000) 6.822 10.229 ( 10.989 1.023 0.000) 11.037 11.047 ( -6.542 -14.930 0.000) 16.300 11.065 ( -0.954 7.432 0.000) 7.493 11.137 ( 11.470 -14.146 0.000) 18.212 11.598 ( -0.472 7.761 0.000) 7.775 11.735 ( 14.723 3.767 0.000) 15.197 11.987 ( 1.684 6.188 0.000) 6.413 12.198 ( -1.639 3.976 0.000) 4.301 12.350 ( 0.235 -0.080 0.000) 0.248 12.545 ( -7.171 -10.242 0.000) 12.503 12.659 ( -8.889 -0.222 0.000) 8.892 13.063 ( -4.208 -1.817 0.000) 4.583 13.242 ( -2.694 3.813 0.000) 4.669 13.454 ( -5.548 2.788 0.000) 6.209 13.476 ( -1.452 -6.993 0.000) 7.142 14.194 ( -2.241 1.811 0.000) 2.882 14.426 ( 7.033 15.833 0.000) 17.324 14.494 ( 1.102 -4.373 0.000) 4.510 14.730 ( 7.994 -6.938 0.000) 10.585 15.074 ( 0.275 1.613 0.000) 1.636 15.692 ( -4.100 -5.440 0.000) 6.812 15.993 ( -2.504 2.606 0.000) 3.614 16.148 ( 1.992 1.496 0.000) 2.491 16.337 ( -13.236 -9.271 0.000) 16.160 16.621 ( 10.940 2.229 0.000) 11.165 17.008 ( -2.630 -10.898 0.000) 11.211 17.539 ( 4.181 -5.496 0.000) 6.906 17.928 ( 3.092 -5.132 0.000) 5.992 17.978 ( 5.398 0.416 0.000) 5.414 18.377 ( 24.017 7.259 0.000) 25.090 18.830 ( -3.454 4.539 0.000) 5.704 19.121 ( 9.369 9.299 0.000) 13.201 21.332 ( 1.114 8.437 0.000) 8.510 21.731 ( 2.098 -7.066 0.000) 7.371 22.542 ( -4.225 6.438 0.000) 7.701 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 12.213 -8.058 0.000) 14.632 2.690 ( 20.412 -12.405 0.000) 23.886 3.235 ( 3.158 14.437 0.000) 14.778 3.341 ( -3.795 20.089 0.000) 20.445 3.615 ( -6.549 4.541 0.000) 7.969 4.229 ( 10.162 -0.886 0.000) 10.201 5.102 ( -4.041 6.788 0.000) 7.900 6.095 ( 8.572 -0.552 0.000) 8.590 6.385 ( -3.194 2.306 0.000) 3.939 7.036 ( -0.784 -10.328 0.000) 10.358 7.213 ( -8.860 -3.945 0.000) 9.699 7.507 ( -17.823 -26.666 0.000) 32.074 7.638 ( -7.172 8.978 0.000) 11.491 7.744 ( -13.516 13.887 0.000) 19.378 8.181 ( 2.893 -25.412 0.000) 25.577 8.394 ( -2.630 -0.195 0.000) 2.637 8.966 ( -3.658 5.957 0.000) 6.991 9.264 ( -5.620 2.728 0.000) 6.247 9.889 ( 0.374 1.037 0.000) 1.103 10.321 ( 7.330 3.969 0.000) 8.336 10.898 ( -3.527 8.013 0.000) 8.755 11.176 ( -3.966 -11.089 0.000) 11.776 11.418 ( 5.848 -6.250 0.000) 8.560 11.531 ( 1.814 3.938 0.000) 4.336 11.835 ( 5.820 5.235 0.000) 7.828 11.920 ( 7.101 5.825 0.000) 9.185 12.145 ( -3.088 -1.127 0.000) 3.287 12.347 ( 2.554 2.777 0.000) 3.773 12.519 ( -14.772 -4.027 0.000) 15.311 12.576 ( -6.315 -6.530 0.000) 9.084 13.109 ( 5.219 -2.771 0.000) 5.909 13.210 ( 1.671 0.244 0.000) 1.689 13.323 ( -6.275 2.500 0.000) 6.755 13.569 ( 2.070 -4.437 0.000) 4.896 14.138 ( -4.779 -0.759 0.000) 4.839 14.269 ( 3.664 14.381 0.000) 14.840 14.565 ( 1.551 -2.280 0.000) 2.758 14.928 ( 7.060 -4.677 0.000) 8.469 15.050 ( -0.455 1.243 0.000) 1.323 15.724 ( -3.384 -5.343 0.000) 6.325 15.855 ( -4.528 5.171 0.000) 6.873 16.234 ( -11.898 -6.107 0.000) 13.374 16.263 ( -1.792 -5.544 0.000) 5.827 16.691 ( 7.081 4.832 0.000) 8.573 17.075 ( -9.586 -8.631 0.000) 12.899 17.626 ( -2.311 -4.425 0.000) 4.992 18.032 ( 5.115 1.894 0.000) 5.454 18.052 ( 2.868 -4.877 0.000) 5.658 18.560 ( 24.893 13.179 0.000) 28.166 18.716 ( -2.541 4.301 0.000) 4.995 19.090 ( 7.781 10.139 0.000) 12.781 21.254 ( 2.890 5.688 0.000) 6.380 21.869 ( -0.377 -8.292 0.000) 8.300 22.387 ( -2.626 6.548 0.000) 7.055 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 11.054 5.280 0.000) 12.250 2.902 ( -6.161 24.361 0.000) 25.128 3.018 ( -7.933 8.846 0.000) 11.882 3.105 ( 12.378 -8.572 0.000) 15.056 3.542 ( -2.797 0.883 0.000) 2.933 4.246 ( 2.494 4.135 0.000) 4.829 5.104 ( 7.285 -3.805 0.000) 8.219 5.857 ( -21.021 12.055 0.000) 24.232 6.270 ( -9.293 -0.033 0.000) 9.293 7.236 ( -11.093 14.312 0.000) 18.108 7.273 ( 2.492 -8.341 0.000) 8.706 7.481 ( 17.450 -20.583 0.000) 26.984 7.642 ( -18.079 -23.870 0.000) 29.944 7.665 ( -0.198 -5.611 0.000) 5.614 8.444 ( 6.352 -1.487 0.000) 6.524 8.666 ( 9.363 -23.385 0.000) 25.190 8.875 ( 8.920 7.172 0.000) 11.446 9.186 ( -4.553 -2.082 0.000) 5.007 9.940 ( 6.171 -1.284 0.000) 6.303 10.298 ( 1.831 7.084 0.000) 7.317 10.776 ( -3.238 0.990 0.000) 3.386 11.276 ( -2.626 -7.571 0.000) 8.014 11.455 ( -2.085 4.987 0.000) 5.405 11.511 ( 1.446 1.567 0.000) 2.132 11.769 ( 0.607 5.774 0.000) 5.806 11.994 ( 10.853 3.586 0.000) 11.431 12.082 ( -7.441 0.673 0.000) 7.472 12.347 ( 4.508 3.804 0.000) 5.899 12.421 ( -11.080 -6.585 0.000) 12.889 12.623 ( -2.985 -8.953 0.000) 9.438 13.176 ( -2.346 1.971 0.000) 3.065 13.275 ( 11.756 -3.505 0.000) 12.268 13.322 ( 1.447 -5.521 0.000) 5.707 13.656 ( 1.870 -2.857 0.000) 3.414 14.083 ( -6.428 -1.829 0.000) 6.683 14.093 ( 1.824 13.225 0.000) 13.350 14.601 ( 0.965 -0.169 0.000) 0.980 15.029 ( -0.714 0.331 0.000) 0.788 15.042 ( 5.250 1.371 0.000) 5.426 15.756 ( -3.993 -0.388 0.000) 4.012 15.761 ( -2.447 -4.684 0.000) 5.285 16.039 ( -20.536 -2.383 0.000) 20.674 16.381 ( -1.243 -7.271 0.000) 7.376 16.667 ( 3.131 7.456 0.000) 8.087 17.020 ( -13.376 -5.418 0.000) 14.432 17.618 ( -6.712 -2.986 0.000) 7.346 18.054 ( 4.056 3.594 0.000) 5.419 18.115 ( 0.430 0.692 0.000) 0.815 18.627 ( 21.080 19.787 0.000) 28.912 18.665 ( 0.178 -0.795 0.000) 0.815 19.039 ( 7.016 9.158 0.000) 11.536 21.224 ( 3.080 4.175 0.000) 5.188 21.908 ( -7.127 -2.014 0.000) 7.406 22.333 ( 3.357 -0.216 0.000) 3.364 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -11.670 26.466 0.000) 28.925 2.367 ( -9.248 30.164 0.000) 31.550 2.924 ( -10.015 3.262 0.000) 10.532 3.366 ( 6.547 -7.531 0.000) 9.979 3.381 ( 2.529 5.622 0.000) 6.165 4.346 ( 10.729 -4.170 0.000) 11.511 5.335 ( -22.610 15.767 0.000) 27.565 5.377 ( 14.212 -10.834 0.000) 17.871 6.180 ( -8.620 -5.084 0.000) 10.007 6.968 ( -9.413 1.274 0.000) 9.499 7.479 ( 6.053 -9.194 0.000) 11.008 7.652 ( -3.093 -6.792 0.000) 7.463 7.758 ( -13.843 -20.416 0.000) 24.667 8.103 ( 15.327 -16.879 0.000) 22.800 8.598 ( 10.431 -4.390 0.000) 11.317 8.969 ( 10.596 -4.442 0.000) 11.490 9.154 ( 21.904 -8.725 0.000) 23.577 9.191 ( -1.603 -2.696 0.000) 3.136 10.068 ( 7.023 -2.364 0.000) 7.410 10.172 ( -2.334 8.332 0.000) 8.653 10.795 ( -1.839 -7.832 0.000) 8.045 11.256 ( -8.536 9.221 0.000) 12.565 11.320 ( -6.119 -5.423 0.000) 8.176 11.511 ( 0.639 0.380 0.000) 0.744 11.662 ( 1.385 10.910 0.000) 10.998 11.999 ( -3.253 -1.840 0.000) 3.737 12.081 ( 9.334 4.474 0.000) 10.351 12.333 ( 0.611 2.374 0.000) 2.451 12.409 ( -3.678 -5.787 0.000) 6.857 12.747 ( -1.259 -9.621 0.000) 9.703 13.192 ( 3.270 -4.122 0.000) 5.261 13.439 ( 1.277 -6.378 0.000) 6.505 13.528 ( 13.270 -6.002 0.000) 14.565 13.676 ( -3.986 -1.206 0.000) 4.165 13.949 ( 9.019 13.313 0.000) 16.080 14.015 ( -7.656 -1.930 0.000) 7.896 14.604 ( 0.956 1.126 0.000) 1.477 15.014 ( 1.988 8.863 0.000) 9.083 15.020 ( -0.746 -0.436 0.000) 0.864 15.713 ( -19.446 -4.716 0.000) 20.010 15.802 ( -1.047 -3.939 0.000) 4.075 15.826 ( -8.144 -5.785 0.000) 9.989 16.429 ( -6.353 -5.957 0.000) 8.710 16.552 ( -0.333 10.000 0.000) 10.006 16.900 ( -11.784 -2.215 0.000) 11.991 17.546 ( -8.477 -1.632 0.000) 8.633 18.028 ( 2.086 5.471 0.000) 5.855 18.050 ( -1.186 5.904 0.000) 6.022 18.539 ( 14.496 22.446 0.000) 26.720 18.737 ( 1.805 -5.651 0.000) 5.932 19.001 ( 7.617 9.866 0.000) 12.464 21.192 ( 0.054 3.382 0.000) 3.383 21.784 ( -7.292 3.034 0.000) 7.898 22.440 ( 3.788 -5.298 0.000) 6.512 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -22.464 28.417 0.000) 36.224 1.753 ( -8.160 34.165 0.000) 35.126 2.364 ( -12.952 37.308 0.000) 39.493 3.524 ( 1.584 -6.575 0.000) 6.764 3.646 ( 14.773 -12.175 0.000) 19.143 4.530 ( 0.666 -4.697 0.000) 4.744 4.806 ( -13.359 17.212 0.000) 21.788 5.745 ( 10.937 -12.252 0.000) 16.423 6.197 ( -4.454 -8.515 0.000) 9.610 6.964 ( -3.878 -12.383 0.000) 12.976 7.681 ( 4.345 -8.018 0.000) 9.119 7.742 ( -1.677 -9.329 0.000) 9.479 7.906 ( -4.070 -15.424 0.000) 15.952 8.434 ( 10.340 -3.534 0.000) 10.927 8.875 ( 8.372 -14.615 0.000) 16.843 9.122 ( 3.088 -1.466 0.000) 3.418 9.164 ( -0.735 6.139 0.000) 6.183 9.614 ( 25.310 -8.154 0.000) 26.592 9.997 ( -3.859 8.517 0.000) 9.350 10.158 ( -1.696 -4.136 0.000) 4.470 10.931 ( -0.567 -10.444 0.000) 10.459 11.023 ( -7.693 4.071 0.000) 8.704 11.294 ( -6.647 -5.198 0.000) 8.438 11.460 ( 0.847 18.118 0.000) 18.138 11.520 ( -0.477 -0.089 0.000) 0.485 12.051 ( 1.466 -5.352 0.000) 5.549 12.059 ( 3.345 9.600 0.000) 10.166 12.339 ( -0.504 -3.532 0.000) 3.568 12.542 ( 9.769 -7.335 0.000) 12.216 12.845 ( -2.228 -5.860 0.000) 6.270 13.371 ( 8.092 -7.686 0.000) 11.160 13.524 ( -16.189 -4.001 0.000) 16.676 13.536 ( -1.610 -6.498 0.000) 6.694 13.775 ( 5.150 2.537 0.000) 5.741 13.941 ( -6.474 -1.376 0.000) 6.618 14.042 ( 32.479 6.041 0.000) 33.036 14.598 ( 1.032 1.457 0.000) 1.785 14.843 ( -3.052 11.639 0.000) 12.033 15.020 ( -0.626 -0.731 0.000) 0.963 15.398 ( -31.767 -3.645 0.000) 31.975 15.856 ( 0.727 -3.467 0.000) 3.542 15.941 ( -0.286 -11.678 0.000) 11.681 16.361 ( -2.530 12.079 0.000) 12.341 16.416 ( -5.542 -4.338 0.000) 7.038 16.783 ( -6.875 0.625 0.000) 6.903 17.463 ( -6.154 -1.714 0.000) 6.388 17.937 ( -0.791 6.427 0.000) 6.475 17.950 ( 0.312 6.521 0.000) 6.528 18.376 ( 11.232 21.182 0.000) 23.976 18.854 ( 1.241 -6.222 0.000) 6.344 18.914 ( 2.459 11.480 0.000) 11.741 21.109 ( -5.000 3.153 0.000) 5.911 21.655 ( -3.413 3.775 0.000) 5.089 22.562 ( 1.571 -5.505 0.000) 5.725 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 30.364 0.000) 30.364 1.141 ( 0.000 36.935 0.000) 36.935 1.601 ( 0.000 48.890 0.000) 48.890 3.629 ( -0.000 -6.209 0.000) 6.209 3.959 ( -0.000 -11.571 0.000) 11.571 4.341 ( 0.000 13.110 0.000) 13.110 4.683 ( -0.000 -1.051 0.000) 1.051 5.991 ( -0.000 -10.189 0.000) 10.189 6.298 ( -0.000 -7.514 0.000) 7.514 7.205 ( -0.000 -20.747 0.000) 20.747 7.845 ( -0.000 -8.395 0.000) 8.395 7.880 ( -0.000 -9.878 0.000) 9.878 8.090 ( -0.000 -9.722 0.000) 9.722 8.464 ( 0.000 10.132 0.000) 10.132 8.955 ( 0.000 17.787 0.000) 17.787 9.115 ( 0.000 3.797 0.000) 3.797 9.243 ( -0.000 -24.461 0.000) 24.461 9.845 ( 0.000 6.125 0.000) 6.125 9.954 ( -0.000 -5.799 0.000) 5.799 10.223 ( -0.000 -11.251 0.000) 11.251 10.976 ( -0.000 -3.899 0.000) 3.899 11.057 ( -0.000 -6.245 0.000) 6.245 11.124 ( 0.000 25.845 0.000) 25.845 11.354 ( -0.000 -7.235 0.000) 7.235 11.463 ( 0.000 4.972 0.000) 4.972 11.944 ( 0.000 6.594 0.000) 6.594 12.175 ( -0.000 -9.263 0.000) 9.263 12.392 ( -0.000 -2.946 0.000) 2.946 12.756 ( 0.000 0.741 0.000) 0.741 12.936 ( -0.000 -9.901 0.000) 9.901 13.438 ( -0.000 -7.493 0.000) 7.493 13.554 ( -0.000 -3.987 0.000) 3.987 13.630 ( -0.000 -10.141 0.000) 10.141 13.697 ( 0.000 9.518 0.000) 9.518 13.900 ( -0.000 -0.261 0.000) 0.261 14.410 ( -0.000 -1.163 0.000) 1.163 14.583 ( 0.000 1.637 0.000) 1.637 14.636 ( 0.000 6.738 0.000) 6.738 15.027 ( -0.000 -0.848 0.000) 0.848 15.050 ( 0.000 4.220 0.000) 4.220 15.922 ( -0.000 -3.364 0.000) 3.364 16.133 ( -0.000 -13.120 0.000) 13.120 16.142 ( 0.000 12.269 0.000) 12.269 16.440 ( -0.000 -3.660 0.000) 3.660 16.702 ( 0.000 3.455 0.000) 3.455 17.470 ( -0.000 -5.250 0.000) 5.250 17.845 ( 0.000 4.860 0.000) 4.860 17.855 ( 0.000 5.587 0.000) 5.587 18.195 ( 0.000 16.778 0.000) 16.778 18.714 ( 0.000 12.816 0.000) 12.816 18.948 ( -0.000 -4.826 0.000) 4.826 20.991 ( 0.000 4.170 0.000) 4.170 21.579 ( 0.000 3.397 0.000) 3.397 22.646 ( -0.000 -4.156 0.000) 4.156 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 29.768 -0.000 0.000) 29.768 1.937 ( 32.904 -0.000 0.000) 32.904 3.489 ( 48.839 -0.000 0.000) 48.839 3.845 ( 2.888 -0.000 0.000) 2.888 3.957 ( -3.541 0.000 0.000) 3.541 3.980 ( -18.115 0.000 0.000) 18.115 5.539 ( 38.792 -0.000 0.000) 38.792 5.908 ( -7.749 0.000 0.000) 7.749 6.457 ( 0.677 -0.000 0.000) 0.677 6.559 ( -29.963 0.000 0.000) 29.963 7.317 ( -10.184 0.000 0.000) 10.184 7.339 ( -23.669 0.000 0.000) 23.669 7.440 ( -15.861 0.000 0.000) 15.861 7.970 ( -13.750 0.000 0.000) 13.750 8.587 ( -19.539 0.000 0.000) 19.539 8.855 ( -7.787 0.000 0.000) 7.787 8.950 ( -18.852 0.000 0.000) 18.852 9.534 ( -16.969 0.000 0.000) 16.969 10.107 ( -3.552 0.000 0.000) 3.552 10.291 ( 16.248 -0.000 0.000) 16.248 10.682 ( -6.619 0.000 0.000) 6.619 10.857 ( 24.005 -0.000 0.000) 24.005 11.168 ( 1.947 -0.000 0.000) 1.947 11.784 ( 12.880 -0.000 0.000) 12.880 11.976 ( -2.378 0.000 0.000) 2.378 12.036 ( -7.794 0.000 0.000) 7.794 12.159 ( 10.854 -0.000 0.000) 10.854 12.288 ( -4.882 0.000 0.000) 4.882 12.415 ( -3.235 0.000 0.000) 3.235 12.582 ( -16.854 0.000 0.000) 16.854 13.080 ( -4.388 0.000 0.000) 4.388 13.318 ( 3.178 -0.000 0.000) 3.178 13.331 ( -6.864 0.000 0.000) 6.864 13.499 ( -2.453 0.000 0.000) 2.453 14.255 ( -10.037 0.000 0.000) 10.037 14.382 ( 6.735 -0.000 0.000) 6.735 14.567 ( 7.803 -0.000 0.000) 7.803 14.806 ( 6.328 -0.000 0.000) 6.328 15.107 ( 0.201 -0.000 0.000) 0.201 15.589 ( -3.640 0.000 0.000) 3.640 15.930 ( -6.981 0.000 0.000) 6.981 16.054 ( -2.310 0.000 0.000) 2.310 16.376 ( -8.662 0.000 0.000) 8.662 16.662 ( 13.337 -0.000 0.000) 13.337 16.748 ( 1.047 -0.000 0.000) 1.047 17.480 ( 10.675 -0.000 0.000) 10.675 17.843 ( 3.014 -0.000 0.000) 3.014 17.988 ( 7.328 -0.000 0.000) 7.328 18.493 ( 26.307 -0.000 0.000) 26.307 18.905 ( -3.632 0.000 0.000) 3.632 19.288 ( 8.592 -0.000 0.000) 8.592 21.525 ( -3.907 0.000 0.000) 3.907 21.602 ( 1.516 -0.000 0.000) 1.516 22.655 ( -4.927 0.000 0.000) 4.927 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 21.989 -9.640 0.000) 24.009 2.408 ( 28.859 -5.247 0.000) 29.332 3.719 ( -4.963 10.319 0.000) 11.450 3.754 ( -5.203 4.639 0.000) 6.971 3.816 ( 2.084 8.829 0.000) 9.072 4.172 ( 27.919 -2.075 0.000) 27.996 5.540 ( -10.368 21.455 0.000) 23.829 6.052 ( 31.363 -0.380 0.000) 31.365 6.446 ( -2.954 0.566 0.000) 3.008 6.512 ( -21.310 -30.159 0.000) 36.928 6.922 ( -24.129 2.037 0.000) 24.214 7.233 ( -12.667 -0.009 0.000) 12.667 7.349 ( -10.283 -17.990 0.000) 20.721 7.794 ( -7.828 0.494 0.000) 7.844 8.335 ( -16.732 -1.966 0.000) 16.847 8.462 ( -12.127 22.093 0.000) 25.203 8.927 ( -7.085 -8.077 0.000) 10.744 9.297 ( -16.274 -0.014 0.000) 16.274 9.993 ( -3.492 5.304 0.000) 6.351 10.475 ( 15.621 4.518 0.000) 16.262 10.741 ( -3.837 -13.467 0.000) 14.002 11.155 ( -0.094 5.222 0.000) 5.222 11.210 ( 18.420 -5.482 0.000) 19.218 11.731 ( -1.482 10.531 0.000) 10.634 11.939 ( 11.024 1.686 0.000) 11.153 12.114 ( -11.877 -6.041 0.000) 13.325 12.139 ( 0.166 7.292 0.000) 7.294 12.284 ( -9.316 -4.423 0.000) 10.312 12.360 ( 7.001 -2.941 0.000) 7.593 12.411 ( -17.160 -5.157 0.000) 17.918 13.067 ( 3.732 -0.232 0.000) 3.739 13.234 ( -4.479 1.328 0.000) 4.671 13.420 ( 5.631 -3.764 0.000) 6.773 13.447 ( -2.234 3.568 0.000) 4.210 14.113 ( -10.101 -0.733 0.000) 10.128 14.481 ( 4.250 -2.281 0.000) 4.823 14.652 ( 5.336 5.525 0.000) 7.681 14.839 ( 7.796 2.375 0.000) 8.150 15.092 ( -0.927 1.072 0.000) 1.417 15.573 ( -2.933 -3.328 0.000) 4.436 15.873 ( -10.993 -6.122 0.000) 12.582 16.051 ( -3.429 -2.759 0.000) 4.401 16.204 ( -7.928 3.032 0.000) 8.488 16.809 ( -2.723 -6.667 0.000) 7.202 16.812 ( 10.801 2.371 0.000) 11.058 17.595 ( 6.437 0.673 0.000) 6.472 17.913 ( 3.820 -2.926 0.000) 4.812 18.082 ( 7.360 1.053 0.000) 7.435 18.833 ( 28.009 4.535 0.000) 28.373 18.836 ( -3.539 2.458 0.000) 4.309 19.364 ( 8.327 5.527 0.000) 9.995 21.450 ( 0.524 5.135 0.000) 5.162 21.647 ( -0.779 -4.722 0.000) 4.786 22.560 ( -4.365 3.627 0.000) 5.675 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 15.256 -9.626 0.000) 18.039 2.850 ( 22.427 -6.086 0.000) 23.238 3.494 ( -2.819 15.948 0.000) 16.195 3.608 ( -1.779 3.927 0.000) 4.311 3.620 ( -0.158 18.696 0.000) 18.697 4.379 ( 5.239 4.726 0.000) 7.056 5.190 ( -2.235 10.682 0.000) 10.914 6.186 ( -6.458 10.283 0.000) 12.143 6.318 ( -13.757 1.343 0.000) 13.822 6.712 ( -15.341 -27.589 0.000) 31.567 6.857 ( 6.124 -16.099 0.000) 17.224 7.153 ( -5.074 -5.841 0.000) 7.737 7.504 ( -6.145 -10.258 0.000) 11.958 7.874 ( 3.035 -3.745 0.000) 4.820 7.968 ( -3.509 11.426 0.000) 11.953 8.252 ( -6.839 -9.034 0.000) 11.331 8.930 ( -4.512 -3.441 0.000) 5.674 9.100 ( -15.080 -2.330 0.000) 15.259 9.934 ( 3.021 0.980 0.000) 3.176 10.563 ( 11.534 8.858 0.000) 14.543 10.895 ( -4.079 -9.214 0.000) 10.077 11.007 ( -4.216 4.840 0.000) 6.419 11.489 ( 12.015 -3.576 0.000) 12.536 11.619 ( -0.913 5.472 0.000) 5.547 11.950 ( 1.037 7.557 0.000) 7.628 12.015 ( -8.008 -5.960 0.000) 9.982 12.101 ( 5.102 2.802 0.000) 5.821 12.192 ( -18.998 -5.057 0.000) 19.660 12.351 ( -7.372 -9.431 0.000) 11.970 12.486 ( 11.385 2.587 0.000) 11.675 13.182 ( 9.750 -2.281 0.000) 10.013 13.193 ( -2.231 -2.078 0.000) 3.049 13.325 ( -3.084 6.870 0.000) 7.531 13.555 ( 5.202 -3.440 0.000) 6.237 14.011 ( -9.238 -2.957 0.000) 9.700 14.536 ( 3.192 13.873 0.000) 14.235 14.560 ( 2.383 -2.013 0.000) 3.119 14.975 ( 7.514 -3.586 0.000) 8.326 15.057 ( -1.425 1.183 0.000) 1.852 15.599 ( -2.649 -4.881 0.000) 5.554 15.771 ( -14.170 -3.363 0.000) 14.564 15.953 ( -12.357 0.359 0.000) 12.363 16.175 ( -1.796 -5.350 0.000) 5.643 16.840 ( -6.021 -5.111 0.000) 7.898 16.876 ( 7.298 5.465 0.000) 9.118 17.631 ( 2.630 2.657 0.000) 3.738 18.025 ( 3.638 -4.437 0.000) 5.738 18.152 ( 6.793 2.573 0.000) 7.264 18.742 ( -2.718 3.795 0.000) 4.668 19.098 ( 26.075 10.200 0.000) 27.999 19.344 ( 5.973 9.096 0.000) 10.882 21.399 ( 4.248 6.091 0.000) 7.426 21.710 ( -4.731 -7.649 0.000) 8.994 22.447 ( -1.609 4.943 0.000) 5.199 ======================= Grid point 23 (17/125) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 15.995 -5.813 0.000) 17.018 3.094 ( -13.733 21.557 0.000) 25.560 3.180 ( 13.487 -1.813 0.000) 13.608 3.258 ( -1.447 23.851 0.000) 23.895 3.571 ( 1.218 3.424 0.000) 3.634 4.320 ( -0.225 2.071 0.000) 2.083 5.172 ( 9.013 -1.473 0.000) 9.132 5.807 ( -15.003 15.011 0.000) 21.223 6.086 ( -17.397 -1.124 0.000) 17.433 6.933 ( -12.032 -26.076 0.000) 28.718 7.195 ( -6.027 -5.901 0.000) 8.434 7.239 ( -0.567 -9.482 0.000) 9.499 7.480 ( -2.910 3.044 0.000) 4.211 7.634 ( 11.066 -0.654 0.000) 11.085 8.404 ( 3.339 -12.266 0.000) 12.712 8.416 ( 9.711 -26.107 0.000) 27.855 8.969 ( -13.473 -6.714 0.000) 15.053 8.978 ( 4.431 -6.011 0.000) 7.468 10.032 ( 9.632 -1.025 0.000) 9.686 10.511 ( 5.394 12.724 0.000) 13.820 10.770 ( -5.355 5.491 0.000) 7.670 11.079 ( -4.253 -10.620 0.000) 11.440 11.507 ( -6.769 1.085 0.000) 6.856 11.620 ( 7.810 6.683 0.000) 10.279 11.835 ( -0.682 6.201 0.000) 6.239 11.985 ( -6.257 -0.534 0.000) 6.280 12.110 ( 1.640 0.911 0.000) 1.876 12.137 ( -7.208 -12.705 0.000) 14.607 12.401 ( -5.980 -9.628 0.000) 11.334 12.587 ( 13.762 8.165 0.000) 16.002 13.163 ( -4.645 1.610 0.000) 4.916 13.257 ( 0.569 -3.219 0.000) 3.269 13.389 ( 12.685 -4.106 0.000) 13.333 13.643 ( 1.809 -1.174 0.000) 2.157 13.941 ( -8.224 -3.240 0.000) 8.839 14.381 ( 7.046 14.036 0.000) 15.706 14.605 ( 1.020 -0.953 0.000) 1.396 15.024 ( -1.120 0.610 0.000) 1.276 15.106 ( 4.243 -2.087 0.000) 4.728 15.594 ( -20.679 -3.438 0.000) 20.963 15.645 ( -2.155 -5.445 0.000) 5.856 15.771 ( -9.596 1.541 0.000) 9.719 16.232 ( -3.750 -6.279 0.000) 7.313 16.810 ( -6.596 -2.673 0.000) 7.117 16.846 ( 4.001 8.480 0.000) 9.376 17.592 ( -0.374 4.237 0.000) 4.253 18.119 ( 1.777 -2.100 0.000) 2.751 18.182 ( 5.129 4.400 0.000) 6.757 18.668 ( -0.921 1.799 0.000) 2.021 19.137 ( 8.541 16.115 0.000) 18.238 19.343 ( 16.408 10.578 0.000) 19.523 21.363 ( 4.071 6.786 0.000) 7.914 21.729 ( -8.459 -6.425 0.000) 10.623 22.394 ( 2.349 2.303 0.000) 3.289 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -14.141 30.380 0.000) 33.510 2.767 ( -2.745 31.736 0.000) 31.855 2.965 ( 8.029 -0.463 0.000) 8.043 3.379 ( 5.910 -2.945 0.000) 6.603 3.506 ( 2.357 4.476 0.000) 5.059 4.362 ( 1.509 -4.706 0.000) 4.942 5.376 ( -9.496 18.876 0.000) 21.130 5.423 ( 13.903 -7.982 0.000) 16.032 5.933 ( -13.621 -7.701 0.000) 15.647 6.931 ( -8.021 10.369 0.000) 13.109 7.188 ( -8.704 -26.587 0.000) 27.976 7.402 ( 1.657 -10.143 0.000) 10.278 7.515 ( -2.237 -5.869 0.000) 6.281 7.989 ( 8.921 -18.554 0.000) 20.587 8.639 ( 7.663 -5.975 0.000) 9.717 8.849 ( 3.355 -17.656 0.000) 17.972 8.973 ( -9.086 -15.187 0.000) 17.698 9.281 ( 13.998 -15.072 0.000) 20.570 10.158 ( 7.090 2.421 0.000) 7.492 10.346 ( 1.152 13.968 0.000) 14.015 10.682 ( -2.874 -2.295 0.000) 3.677 11.109 ( -8.685 -5.838 0.000) 10.465 11.445 ( 0.549 20.446 0.000) 20.453 11.462 ( -3.006 -4.719 0.000) 5.595 11.771 ( -0.186 3.667 0.000) 3.672 11.972 ( 1.313 -1.576 0.000) 2.051 12.160 ( 2.062 -3.893 0.000) 4.405 12.253 ( -1.697 -11.162 0.000) 11.291 12.496 ( -5.288 -12.323 0.000) 13.410 12.545 ( 6.144 15.963 0.000) 17.104 13.169 ( 2.922 -4.911 0.000) 5.715 13.330 ( -2.043 -6.442 0.000) 6.759 13.563 ( 2.110 2.549 0.000) 3.309 13.687 ( 5.159 -5.058 0.000) 7.224 13.887 ( -5.639 -2.453 0.000) 6.149 14.352 ( 18.466 11.246 0.000) 21.621 14.621 ( 0.405 -0.008 0.000) 0.405 15.009 ( -0.517 0.005 0.000) 0.517 15.086 ( -10.340 3.579 0.000) 10.942 15.334 ( -17.659 -1.548 0.000) 17.727 15.699 ( -2.443 -3.065 0.000) 3.919 15.706 ( -1.181 -5.594 0.000) 5.717 16.263 ( -4.050 -5.272 0.000) 6.648 16.731 ( 1.325 11.220 0.000) 11.298 16.759 ( -4.619 -1.235 0.000) 4.781 17.505 ( -1.829 4.552 0.000) 4.905 18.117 ( -0.085 3.625 0.000) 3.626 18.152 ( 2.346 6.285 0.000) 6.708 18.680 ( 0.525 -3.517 0.000) 3.556 18.955 ( 3.171 16.754 0.000) 17.052 19.354 ( 11.756 14.911 0.000) 18.988 21.286 ( 0.553 7.483 0.000) 7.504 21.695 ( -5.472 -2.519 0.000) 6.024 22.430 ( 2.446 -1.927 0.000) 3.114 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 32.826 0.000) 32.826 2.235 ( 0.000 34.665 0.000) 34.665 2.799 ( 0.000 25.486 0.000) 25.486 3.462 ( -0.000 -3.708 0.000) 3.708 3.599 ( -0.000 -8.915 0.000) 8.915 4.446 ( -0.000 -4.936 0.000) 4.936 5.007 ( 0.000 19.787 0.000) 19.787 5.673 ( -0.000 -9.265 0.000) 9.265 5.989 ( -0.000 -11.997 0.000) 11.997 6.809 ( -0.000 -2.144 0.000) 2.144 7.525 ( -0.000 -25.562 0.000) 25.562 7.570 ( -0.000 -9.806 0.000) 9.806 7.599 ( -0.000 -7.579 0.000) 7.579 8.336 ( -0.000 -16.967 0.000) 16.967 8.776 ( -0.000 -6.626 0.000) 6.626 9.067 ( -0.000 -8.665 0.000) 8.665 9.137 ( -0.000 -9.850 0.000) 9.850 9.654 ( -0.000 -15.037 0.000) 15.037 10.121 ( 0.000 4.819 0.000) 4.819 10.144 ( 0.000 12.752 0.000) 12.752 10.763 ( -0.000 -9.726 0.000) 9.726 11.127 ( -0.000 -6.603 0.000) 6.603 11.134 ( 0.000 17.025 0.000) 17.025 11.512 ( -0.000 -2.571 0.000) 2.571 11.675 ( 0.000 9.410 0.000) 9.410 12.012 ( -0.000 -1.892 0.000) 1.892 12.256 ( -0.000 -5.485 0.000) 5.485 12.312 ( 0.000 17.374 0.000) 17.374 12.471 ( -0.000 -15.076 0.000) 15.076 12.618 ( -0.000 -10.921 0.000) 10.921 13.327 ( -0.000 -8.878 0.000) 8.878 13.395 ( -0.000 -6.050 0.000) 6.050 13.470 ( 0.000 6.225 0.000) 6.225 13.814 ( -0.000 -3.066 0.000) 3.066 13.876 ( -0.000 -1.501 0.000) 1.501 14.470 ( 0.000 5.857 0.000) 5.857 14.619 ( 0.000 0.618 0.000) 0.618 14.810 ( 0.000 4.913 0.000) 4.913 15.008 ( -0.000 -0.336 0.000) 0.336 15.202 ( 0.000 4.582 0.000) 4.582 15.780 ( -0.000 -8.742 0.000) 8.742 15.783 ( -0.000 -5.428 0.000) 5.428 16.306 ( -0.000 -4.748 0.000) 4.748 16.550 ( 0.000 13.211 0.000) 13.211 16.737 ( -0.000 -0.475 0.000) 0.475 17.430 ( 0.000 2.554 0.000) 2.554 18.033 ( 0.000 6.496 0.000) 6.496 18.061 ( 0.000 7.251 0.000) 7.251 18.722 ( 0.000 17.153 0.000) 17.153 18.765 ( -0.000 -6.253 0.000) 6.253 19.190 ( 0.000 16.896 0.000) 16.896 21.169 ( 0.000 7.300 0.000) 7.300 21.668 ( 0.000 1.144 0.000) 1.144 22.498 ( -0.000 -4.450 0.000) 4.450 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 17.737 -0.000 0.000) 17.737 2.750 ( 25.831 -0.000 0.000) 25.831 3.683 ( -3.151 0.000 0.000) 3.151 3.765 ( -3.915 0.000 0.000) 3.915 3.921 ( 2.632 -0.000 0.000) 2.632 4.477 ( 12.125 -0.000 0.000) 12.125 5.714 ( -5.766 0.000 0.000) 5.766 5.846 ( -21.675 0.000 0.000) 21.675 6.417 ( -4.931 0.000 0.000) 4.931 6.467 ( 23.503 -0.000 0.000) 23.503 6.580 ( -23.086 0.000 0.000) 23.086 7.076 ( -8.882 0.000 0.000) 8.882 7.096 ( -2.071 0.000 0.000) 2.071 7.718 ( -2.216 0.000 0.000) 2.216 8.078 ( -15.929 0.000 0.000) 15.929 8.605 ( -8.734 0.000 0.000) 8.734 8.680 ( -3.901 0.000 0.000) 3.901 9.066 ( -16.014 0.000 0.000) 16.014 9.972 ( -5.589 0.000 0.000) 5.589 10.617 ( 1.832 -0.000 0.000) 1.832 10.727 ( 15.032 -0.000 0.000) 15.032 11.186 ( -3.792 0.000 0.000) 3.792 11.396 ( 13.472 -0.000 0.000) 13.472 11.826 ( -9.031 0.000 0.000) 9.031 11.827 ( -7.840 0.000 0.000) 7.840 12.093 ( -16.907 0.000 0.000) 16.907 12.115 ( 11.979 -0.000 0.000) 11.979 12.128 ( -6.708 0.000 0.000) 6.708 12.153 ( -8.834 0.000 0.000) 8.834 12.495 ( 13.544 -0.000 0.000) 13.544 13.144 ( 7.883 -0.000 0.000) 7.883 13.180 ( -4.243 0.000 0.000) 4.243 13.471 ( 0.012 -0.000 0.000) 0.012 13.494 ( 8.237 -0.000 0.000) 8.237 13.942 ( -12.360 0.000 0.000) 12.360 14.520 ( 3.505 -0.000 0.000) 3.505 14.796 ( 8.125 -0.000 0.000) 8.125 14.907 ( 0.360 -0.000 0.000) 0.360 15.079 ( -1.995 0.000 0.000) 1.995 15.516 ( -1.833 0.000 0.000) 1.833 15.655 ( -13.048 0.000 0.000) 13.048 15.985 ( -7.290 0.000 0.000) 7.290 16.097 ( -6.396 0.000 0.000) 6.396 16.757 ( 0.469 -0.000 0.000) 0.469 16.964 ( 8.305 -0.000 0.000) 8.305 17.687 ( 5.267 -0.000 0.000) 5.267 17.945 ( 4.201 -0.000 0.000) 4.201 18.195 ( 7.614 -0.000 0.000) 7.614 18.809 ( -3.127 0.000 0.000) 3.127 19.249 ( 27.372 -0.000 0.000) 27.372 19.497 ( 4.713 -0.000 0.000) 4.713 21.510 ( 2.984 -0.000 0.000) 2.984 21.573 ( -4.585 0.000 0.000) 4.585 22.535 ( -3.138 0.000 0.000) 3.138 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 14.792 -6.735 0.000) 16.253 3.079 ( 18.958 -2.129 0.000) 19.077 3.604 ( -4.342 8.146 0.000) 9.231 3.689 ( 0.660 3.881 0.000) 3.937 3.867 ( 1.582 11.380 0.000) 11.490 4.440 ( -8.778 4.383 0.000) 9.811 5.357 ( -2.230 13.962 0.000) 14.139 5.914 ( -18.876 -16.633 0.000) 25.159 6.247 ( -9.092 12.820 0.000) 15.717 6.353 ( -6.162 -5.576 0.000) 8.310 6.753 ( 8.084 -10.516 0.000) 13.264 7.026 ( -2.482 -3.962 0.000) 4.675 7.264 ( 0.657 -13.828 0.000) 13.844 7.797 ( 6.728 -8.681 0.000) 10.983 7.976 ( -9.006 -10.540 0.000) 13.864 8.279 ( 0.654 23.272 0.000) 23.282 8.765 ( -4.842 -8.180 0.000) 9.506 8.876 ( -12.777 -0.855 0.000) 12.806 9.941 ( -0.282 -4.584 0.000) 4.593 10.731 ( 3.815 -7.477 0.000) 8.394 10.853 ( 11.118 7.776 0.000) 13.567 11.020 ( -10.541 6.642 0.000) 12.459 11.568 ( 7.517 -3.958 0.000) 8.496 11.603 ( -14.963 3.924 0.000) 15.469 11.806 ( -4.376 -6.636 0.000) 7.949 11.932 ( -9.069 -2.344 0.000) 9.367 12.020 ( -4.633 2.216 0.000) 5.136 12.143 ( -3.276 -6.626 0.000) 7.392 12.234 ( 8.485 4.706 0.000) 9.703 12.686 ( 14.040 -0.085 0.000) 14.040 13.130 ( -3.475 -0.629 0.000) 3.532 13.279 ( 9.154 -2.341 0.000) 9.449 13.411 ( -1.087 7.135 0.000) 7.217 13.614 ( 7.553 -0.582 0.000) 7.576 13.816 ( -10.392 -4.314 0.000) 11.251 14.567 ( 1.998 -1.027 0.000) 2.246 14.760 ( 1.917 10.182 0.000) 10.361 14.987 ( 3.574 -5.149 0.000) 6.268 15.046 ( -2.019 0.523 0.000) 2.086 15.489 ( -15.909 -2.612 0.000) 16.122 15.515 ( -1.343 -2.497 0.000) 2.835 15.836 ( -9.891 1.443 0.000) 9.996 16.084 ( -1.205 -2.858 0.000) 3.101 16.768 ( -0.219 -0.282 0.000) 0.357 17.032 ( 5.175 3.258 0.000) 6.115 17.723 ( 3.202 2.980 0.000) 4.374 18.020 ( 3.497 -2.509 0.000) 4.304 18.280 ( 6.598 1.789 0.000) 6.836 18.755 ( -2.217 2.166 0.000) 3.099 19.486 ( 2.716 6.247 0.000) 6.812 19.570 ( 21.724 3.813 0.000) 22.056 21.522 ( -5.842 -3.633 0.000) 6.880 21.540 ( 2.750 2.454 0.000) 3.686 22.487 ( -0.891 2.306 0.000) 2.472 ======================= Grid point 32 (22/125) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 11.510 -9.842 0.000) 15.144 3.283 ( -8.248 21.559 0.000) 23.083 3.308 ( 9.568 -2.007 0.000) 9.776 3.618 ( -0.022 22.169 0.000) 22.169 3.647 ( 0.893 4.015 0.000) 4.114 4.281 ( -6.258 -0.554 0.000) 6.282 5.309 ( 10.972 1.058 0.000) 11.023 5.764 ( -21.105 -4.155 0.000) 21.510 5.926 ( -4.263 17.129 0.000) 17.652 6.474 ( -4.539 -17.776 0.000) 18.346 7.006 ( 0.549 -11.488 0.000) 11.501 7.111 ( 0.480 -8.094 0.000) 8.108 7.371 ( -5.519 -6.396 0.000) 8.448 7.980 ( 8.125 22.591 0.000) 24.008 8.154 ( 6.657 -22.240 0.000) 23.215 8.157 ( -0.842 -20.813 0.000) 20.830 8.746 ( -8.438 -1.181 0.000) 8.521 8.846 ( -1.635 -11.662 0.000) 11.776 10.109 ( 7.654 -8.040 0.000) 11.100 10.781 ( -7.266 6.431 0.000) 9.703 10.788 ( 4.363 13.872 0.000) 14.542 10.899 ( 1.802 -7.237 0.000) 7.458 11.355 ( -14.198 -0.499 0.000) 14.207 11.716 ( 4.312 -4.097 0.000) 5.948 11.847 ( -4.783 -6.751 0.000) 8.274 11.950 ( -0.540 3.315 0.000) 3.359 11.957 ( 1.475 -6.102 0.000) 6.278 12.183 ( 1.771 9.911 0.000) 10.068 12.207 ( -2.951 -7.201 0.000) 7.783 12.865 ( 13.329 2.258 0.000) 13.519 13.099 ( -4.190 -1.256 0.000) 4.374 13.264 ( -2.729 6.044 0.000) 6.631 13.456 ( 7.217 -5.587 0.000) 9.127 13.686 ( 3.476 1.786 0.000) 3.908 13.779 ( -5.842 -4.806 0.000) 7.565 14.601 ( 0.699 -1.031 0.000) 1.245 14.661 ( 6.869 8.581 0.000) 10.992 15.017 ( -1.041 0.377 0.000) 1.107 15.083 ( -1.590 -2.802 0.000) 3.222 15.288 ( -14.791 -0.798 0.000) 14.812 15.551 ( -0.883 -4.094 0.000) 4.188 15.710 ( -4.753 1.614 0.000) 5.019 16.119 ( -1.380 -3.808 0.000) 4.050 16.753 ( -1.087 0.902 0.000) 1.412 17.008 ( 2.359 6.511 0.000) 6.925 17.684 ( 1.092 5.813 0.000) 5.914 18.102 ( 1.641 -3.109 0.000) 3.515 18.310 ( 3.782 3.827 0.000) 5.381 18.692 ( -0.925 2.827 0.000) 2.975 19.372 ( 0.097 10.100 0.000) 10.100 19.729 ( 14.058 8.845 0.000) 16.609 21.498 ( -3.885 -0.213 0.000) 3.891 21.532 ( 0.157 -0.641 0.000) 0.660 22.451 ( 0.827 2.176 0.000) 2.328 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.000 29.190 0.000) 29.190 2.974 ( -0.000 -8.232 0.000) 8.232 3.220 ( 0.000 28.964 0.000) 28.964 3.397 ( -0.000 -1.352 0.000) 1.352 3.584 ( 0.000 4.675 0.000) 4.675 4.287 ( -0.000 -4.390 0.000) 4.390 5.501 ( -0.000 -1.153 0.000) 1.153 5.616 ( 0.000 19.295 0.000) 19.295 5.627 ( -0.000 -10.673 0.000) 10.673 6.748 ( -0.000 -22.842 0.000) 22.842 7.033 ( 0.000 6.813 0.000) 6.813 7.259 ( -0.000 -10.097 0.000) 10.097 7.417 ( -0.000 -5.220 0.000) 5.220 7.865 ( -0.000 -1.964 0.000) 1.964 8.529 ( -0.000 -25.219 0.000) 25.219 8.560 ( -0.000 -23.327 0.000) 23.327 8.690 ( -0.000 -0.653 0.000) 0.653 9.088 ( -0.000 -18.608 0.000) 18.608 10.260 ( -0.000 -0.505 0.000) 0.505 10.585 ( 0.000 15.498 0.000) 15.498 10.655 ( 0.000 2.422 0.000) 2.422 10.973 ( -0.000 -3.561 0.000) 3.561 11.327 ( -0.000 -7.547 0.000) 7.547 11.786 ( 0.000 19.345 0.000) 19.345 11.787 ( -0.000 -0.886 0.000) 0.886 11.926 ( -0.000 -6.452 0.000) 6.452 12.073 ( -0.000 -8.356 0.000) 8.356 12.113 ( -0.000 -1.683 0.000) 1.683 12.303 ( -0.000 -8.891 0.000) 8.891 12.843 ( 0.000 14.769 0.000) 14.769 13.106 ( -0.000 -5.525 0.000) 5.525 13.229 ( -0.000 -3.360 0.000) 3.360 13.617 ( -0.000 -7.748 0.000) 7.748 13.651 ( 0.000 4.784 0.000) 4.784 13.801 ( -0.000 -3.536 0.000) 3.536 14.618 ( -0.000 -0.630 0.000) 0.630 14.664 ( 0.000 5.414 0.000) 5.414 14.957 ( 0.000 4.875 0.000) 4.875 15.006 ( 0.000 0.150 0.000) 0.150 15.242 ( -0.000 -2.150 0.000) 2.150 15.615 ( -0.000 -5.155 0.000) 5.155 15.662 ( 0.000 0.406 0.000) 0.406 16.167 ( -0.000 -4.168 0.000) 4.168 16.728 ( 0.000 0.598 0.000) 0.598 16.901 ( 0.000 9.395 0.000) 9.395 17.590 ( 0.000 6.856 0.000) 6.856 18.143 ( -0.000 -0.488 0.000) 0.488 18.263 ( 0.000 5.611 0.000) 5.611 18.658 ( 0.000 0.423 0.000) 0.423 19.195 ( 0.000 13.193 0.000) 13.193 19.661 ( 0.000 12.946 0.000) 12.946 21.410 ( 0.000 7.541 0.000) 7.541 21.587 ( -0.000 -5.939 0.000) 5.939 22.438 ( 0.000 0.601 0.000) 0.601 ======================= Grid point 40 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 11.253 -0.000 0.000) 11.253 3.271 ( 10.735 -0.000 0.000) 10.735 3.633 ( -2.825 0.000 0.000) 2.825 3.718 ( 0.651 -0.000 0.000) 0.651 3.981 ( 1.416 -0.000 0.000) 1.416 4.292 ( -13.565 0.000 0.000) 13.565 5.421 ( -8.527 0.000 0.000) 8.527 5.619 ( -1.291 0.000 0.000) 1.291 6.219 ( -6.368 0.000 0.000) 6.368 6.297 ( -2.227 0.000 0.000) 2.227 6.762 ( 6.641 -0.000 0.000) 6.641 6.975 ( -0.408 0.000 0.000) 0.408 7.137 ( -3.598 0.000 0.000) 3.598 7.776 ( -5.753 0.000 0.000) 5.753 7.811 ( 5.227 -0.000 0.000) 5.227 8.554 ( 4.800 -0.000 0.000) 4.800 8.631 ( -0.602 0.000 0.000) 0.602 8.736 ( -6.893 0.000 0.000) 6.893 9.832 ( -4.066 0.000 0.000) 4.066 10.786 ( 9.946 -0.000 0.000) 9.946 10.916 ( -10.028 0.000 0.000) 10.028 11.056 ( 7.628 -0.000 0.000) 7.628 11.372 ( -18.855 0.000 0.000) 18.855 11.596 ( 2.679 -0.000 0.000) 2.679 11.740 ( 0.244 -0.000 0.000) 0.244 11.838 ( -3.042 0.000 0.000) 3.042 11.955 ( -4.655 0.000 0.000) 4.655 12.081 ( 0.340 -0.000 0.000) 0.340 12.392 ( 6.501 -0.000 0.000) 6.501 12.862 ( 11.886 -0.000 0.000) 11.886 13.074 ( -4.305 0.000 0.000) 4.305 13.361 ( 5.616 -0.000 0.000) 5.616 13.479 ( 0.322 -0.000 0.000) 0.322 13.633 ( -8.452 0.000 0.000) 8.452 13.713 ( 6.193 -0.000 0.000) 6.193 14.581 ( 1.054 -0.000 0.000) 1.054 14.824 ( -4.585 0.000 0.000) 4.585 15.003 ( 7.729 -0.000 0.000) 7.729 15.024 ( -1.447 0.000 0.000) 1.447 15.281 ( -12.708 0.000 0.000) 12.708 15.484 ( -0.559 0.000 0.000) 0.559 15.736 ( -5.576 0.000 0.000) 5.576 16.056 ( -0.208 0.000 0.000) 0.208 16.777 ( 0.640 -0.000 0.000) 0.640 17.109 ( 2.509 -0.000 0.000) 2.509 17.784 ( 1.847 -0.000 0.000) 1.847 18.041 ( 2.137 -0.000 0.000) 2.137 18.371 ( 4.188 -0.000 0.000) 4.188 18.748 ( -1.215 0.000 0.000) 1.215 19.534 ( -0.620 0.000 0.000) 0.620 19.866 ( 14.710 -0.000 0.000) 14.710 21.380 ( -6.880 0.000 0.000) 6.880 21.622 ( 3.288 -0.000 0.000) 3.288 22.495 ( -0.314 0.000 0.000) 0.314 ======================= Grid point 41 (25/125) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -0.000 -6.708 0.000) 6.708 3.354 ( -0.000 -1.101 0.000) 1.101 3.502 ( 0.000 13.402 0.000) 13.402 3.707 ( 0.000 2.629 0.000) 2.629 3.892 ( 0.000 12.735 0.000) 12.735 4.199 ( -0.000 -1.544 0.000) 1.544 5.394 ( -0.000 -4.075 0.000) 4.075 5.577 ( 0.000 3.887 0.000) 3.887 6.155 ( 0.000 14.467 0.000) 14.467 6.242 ( -0.000 -9.052 0.000) 9.052 6.880 ( -0.000 -6.919 0.000) 6.919 7.012 ( -0.000 -4.922 0.000) 4.922 7.189 ( -0.000 -10.127 0.000) 10.127 7.854 ( -0.000 -14.754 0.000) 14.754 7.937 ( -0.000 -11.635 0.000) 11.635 8.420 ( 0.000 23.186 0.000) 23.186 8.661 ( -0.000 -8.080 0.000) 8.080 8.687 ( 0.000 0.112 0.000) 0.112 9.949 ( -0.000 -15.704 0.000) 15.704 10.801 ( 0.000 4.717 0.000) 4.717 10.900 ( -0.000 -1.440 0.000) 1.440 11.018 ( 0.000 10.835 0.000) 10.835 11.209 ( -0.000 -0.396 0.000) 0.396 11.665 ( -0.000 -5.508 0.000) 5.508 11.750 ( -0.000 -2.000 0.000) 2.000 11.875 ( -0.000 -5.917 0.000) 5.917 11.932 ( -0.000 -1.302 0.000) 1.302 12.111 ( -0.000 -3.386 0.000) 3.386 12.371 ( 0.000 8.619 0.000) 8.619 12.997 ( -0.000 -1.673 0.000) 1.673 13.015 ( -0.000 -0.608 0.000) 0.608 13.372 ( 0.000 9.774 0.000) 9.774 13.429 ( -0.000 -3.619 0.000) 3.619 13.651 ( -0.000 -6.346 0.000) 6.346 13.747 ( 0.000 1.554 0.000) 1.554 14.593 ( -0.000 -0.676 0.000) 0.676 14.774 ( 0.000 1.808 0.000) 1.808 15.012 ( 0.000 0.158 0.000) 0.158 15.083 ( 0.000 2.654 0.000) 2.654 15.160 ( -0.000 -1.970 0.000) 1.970 15.497 ( -0.000 -2.178 0.000) 2.178 15.693 ( 0.000 0.678 0.000) 0.678 16.069 ( -0.000 -1.879 0.000) 1.879 16.770 ( 0.000 1.395 0.000) 1.395 17.100 ( 0.000 3.391 0.000) 3.391 17.768 ( 0.000 3.642 0.000) 3.642 18.073 ( -0.000 -2.129 0.000) 2.129 18.384 ( 0.000 2.114 0.000) 2.114 18.724 ( 0.000 1.968 0.000) 1.968 19.487 ( 0.000 5.315 0.000) 5.315 19.935 ( 0.000 4.699 0.000) 4.699 21.366 ( -0.000 -4.748 0.000) 4.748 21.618 ( 0.000 3.597 0.000) 3.597 22.482 ( 0.000 1.306 0.000) 1.306 ======================= Grid point 81 (26/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 0.000 36.873) 36.873 0.721 ( 0.000 0.000 36.753) 36.753 1.368 ( 0.000 0.000 68.214) 68.214 3.902 ( 0.000 0.000 15.053) 15.053 4.120 ( 0.000 0.000 -4.055) 4.055 4.169 ( 0.000 0.000 3.229) 3.229 4.643 ( 0.000 0.000 -3.885) 3.885 6.046 ( 0.000 0.000 -16.396) 16.396 6.570 ( 0.000 0.000 14.178) 14.178 7.528 ( 0.000 0.000 -15.802) 15.802 7.899 ( 0.000 0.000 5.815) 5.815 7.988 ( 0.000 0.000 -7.507) 7.507 8.317 ( 0.000 0.000 10.137) 10.137 8.333 ( 0.000 0.000 22.713) 22.713 8.455 ( 0.000 0.000 -7.935) 7.935 9.017 ( 0.000 0.000 0.821) 0.821 9.629 ( 0.000 0.000 -5.748) 5.748 9.957 ( 0.000 0.000 -8.668) 8.668 10.078 ( 0.000 0.000 1.603) 1.603 10.172 ( 0.000 0.000 0.746) 0.746 10.295 ( 0.000 0.000 -5.231) 5.231 11.060 ( 0.000 0.000 -7.847) 7.847 11.121 ( 0.000 0.000 3.351) 3.351 11.260 ( 0.000 0.000 -7.595) 7.595 11.669 ( 0.000 0.000 17.017) 17.017 11.842 ( 0.000 0.000 -0.571) 0.571 12.394 ( 0.000 0.000 -5.176) 5.176 12.558 ( 0.000 0.000 2.051) 2.051 12.618 ( 0.000 0.000 3.551) 3.551 12.836 ( 0.000 0.000 -4.070) 4.070 13.218 ( 0.000 0.000 4.387) 4.387 13.547 ( 0.000 0.000 -6.877) 6.877 13.596 ( 0.000 0.000 -4.198) 4.198 13.614 ( 0.000 0.000 -5.208) 5.208 13.953 ( 0.000 0.000 4.798) 4.798 14.338 ( 0.000 0.000 -7.349) 7.349 14.482 ( 0.000 0.000 -0.018) 0.018 14.513 ( 0.000 0.000 -3.210) 3.210 15.019 ( 0.000 0.000 10.790) 10.790 15.063 ( 0.000 0.000 1.625) 1.625 15.931 ( 0.000 0.000 0.497) 0.497 16.008 ( 0.000 0.000 3.318) 3.318 16.443 ( 0.000 0.000 -0.968) 0.968 16.495 ( 0.000 0.000 -0.758) 0.758 16.514 ( 0.000 0.000 -0.299) 0.299 16.706 ( 0.000 0.000 0.658) 0.658 17.716 ( 0.000 0.000 -1.021) 1.021 17.802 ( 0.000 0.000 3.846) 3.846 18.480 ( 0.000 0.000 -2.263) 2.263 18.533 ( 0.000 0.000 -25.647) 25.647 19.595 ( 0.000 0.000 26.319) 26.319 21.487 ( 0.000 0.000 -3.373) 3.373 21.804 ( 0.000 0.000 6.621) 6.621 23.032 ( 0.000 0.000 -3.955) 3.955 ======================= Grid point 82 (27/125) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 13.461 -15.449 21.637) 29.800 1.036 ( 18.616 -18.302 25.417) 36.436 1.863 ( 30.235 -22.149 52.234) 64.289 3.880 ( -1.239 2.010 14.318) 14.512 3.973 ( -8.615 10.086 -4.945) 14.156 4.351 ( 13.597 -6.986 -2.802) 15.541 4.619 ( -2.049 -1.889 2.206) 3.555 5.932 ( -4.346 7.625 -14.305) 16.783 6.550 ( 1.231 3.861 14.277) 14.840 7.432 ( -4.725 10.047 -9.390) 14.541 7.876 ( -16.101 -1.417 -2.490) 16.354 7.954 ( -8.067 4.723 -2.770) 9.749 8.001 ( -5.783 2.371 -0.978) 6.326 8.300 ( -6.388 -5.224 18.494) 20.251 8.778 ( 12.282 -7.946 -4.538) 15.315 9.050 ( -0.129 -3.934 0.574) 3.978 9.612 ( 1.057 24.260 -0.435) 24.287 9.691 ( -0.313 4.654 -9.610) 10.683 9.939 ( -12.185 4.672 1.981) 13.199 10.237 ( -2.083 -4.667 -1.964) 5.475 10.603 ( -0.455 -25.900 -4.845) 26.353 11.045 ( 0.108 1.445 -7.456) 7.596 11.196 ( 9.015 1.850 1.469) 9.319 11.231 ( -6.928 -6.356 -2.287) 9.676 11.685 ( 7.824 6.815 7.547) 12.830 11.881 ( 1.632 -2.430 -0.002) 2.927 12.309 ( -1.133 8.917 -2.135) 9.239 12.459 ( -2.459 4.145 2.734) 5.541 12.568 ( -14.333 -4.339 0.008) 14.975 12.787 ( -3.540 -4.687 -1.320) 6.020 13.273 ( -4.226 -5.536 -5.806) 9.067 13.473 ( -5.312 -0.724 -6.731) 8.605 13.613 ( 0.365 -0.487 -2.820) 2.885 13.721 ( 2.552 2.340 -0.874) 3.571 13.988 ( 11.418 3.450 0.747) 11.951 14.303 ( -7.677 11.458 -1.220) 13.846 14.483 ( 0.389 -5.715 -2.458) 6.234 14.604 ( 1.771 -5.512 2.369) 6.256 15.056 ( 0.943 1.590 0.558) 1.931 15.250 ( 20.521 -7.692 -13.605) 25.795 15.882 ( -4.688 -3.410 1.349) 5.952 16.163 ( 12.797 2.288 2.351) 13.211 16.347 ( -0.277 3.917 1.756) 4.301 16.415 ( -3.698 1.261 -3.779) 5.435 16.658 ( 6.522 -5.723 -1.507) 8.807 16.909 ( 10.930 -9.653 -7.110) 16.223 17.761 ( 6.276 -0.072 -1.132) 6.377 17.837 ( 1.467 -2.946 3.688) 4.942 18.362 ( -13.852 -2.201 9.411) 16.891 18.522 ( 0.134 -0.132 -18.976) 18.977 19.543 ( 0.950 5.422 30.856) 31.343 21.499 ( 0.981 1.413 -0.039) 1.720 21.606 ( 3.121 15.429 14.781) 21.593 22.790 ( -4.382 11.516 3.244) 12.741 ======================= Grid point 83 (28/125) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 18.499 -25.564 5.704) 32.066 1.648 ( 22.124 -23.490 15.381) 35.747 2.662 ( 36.719 -19.876 33.601) 53.594 3.619 ( -11.906 15.282 -5.348) 20.097 3.811 ( -0.399 6.417 16.017) 17.259 4.391 ( -11.185 1.086 -9.003) 14.399 4.919 ( 24.971 -11.752 6.610) 28.378 5.700 ( -9.277 11.294 -8.080) 16.700 6.505 ( 3.075 5.007 14.237) 15.402 7.164 ( -2.784 14.595 -4.563) 15.543 7.661 ( -18.407 -6.386 -9.904) 21.856 7.774 ( -8.687 4.573 5.356) 11.183 7.893 ( -3.712 4.214 -7.079) 9.036 8.318 ( -8.834 -9.169 14.056) 18.965 8.888 ( -7.938 -0.019 -3.662) 8.743 9.086 ( -8.410 2.402 4.304) 9.748 9.223 ( 5.138 19.658 -4.045) 20.716 9.392 ( -18.875 9.463 0.114) 21.114 9.928 ( 4.526 -3.144 -3.695) 6.635 10.224 ( -4.094 -1.071 3.698) 5.620 10.918 ( 0.048 -8.824 -5.667) 10.487 11.059 ( 2.738 -6.478 -1.803) 7.260 11.196 ( -5.615 -6.477 -4.261) 9.572 11.381 ( 10.212 -2.600 3.174) 11.005 11.635 ( 2.643 9.136 0.580) 9.528 11.926 ( 0.435 -1.266 -2.317) 2.676 12.124 ( -2.477 7.876 -1.183) 8.341 12.383 ( -1.190 1.768 0.479) 2.185 12.541 ( 1.955 0.749 -0.482) 2.148 12.804 ( -4.041 -3.439 1.017) 5.402 13.169 ( -9.841 2.090 -12.842) 16.314 13.469 ( -3.468 -2.768 -4.965) 6.659 13.598 ( -13.524 -0.030 2.996) 13.852 13.624 ( -4.476 -2.022 -1.628) 5.174 13.988 ( 11.429 18.953 -5.271) 22.751 14.154 ( 7.536 3.297 3.861) 9.087 14.626 ( 0.778 -11.772 -0.005) 11.797 14.660 ( -2.476 -3.976 6.818) 8.272 15.040 ( 0.575 1.563 -0.951) 1.918 15.564 ( 9.805 -4.171 -14.786) 18.225 15.926 ( 2.762 -3.780 2.346) 5.236 16.148 ( 1.637 10.450 2.194) 10.803 16.305 ( 1.288 -1.698 -1.796) 2.788 16.502 ( 6.757 -2.786 -1.812) 7.530 16.847 ( 9.297 -5.192 -2.491) 10.935 17.196 ( 10.838 -7.600 -11.949) 17.832 17.869 ( 9.391 1.030 -1.842) 9.625 17.915 ( 1.826 -4.042 3.625) 5.728 18.271 ( -9.411 -6.296 13.552) 17.660 18.533 ( -1.837 -2.647 -14.216) 14.576 19.480 ( 1.314 4.931 32.626) 33.022 21.393 ( 2.265 9.492 12.560) 15.906 21.617 ( 3.476 -3.995 -2.441) 5.831 22.609 ( -3.209 7.542 -1.939) 8.423 ======================= Grid point 84 (29/125) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 12.405 -19.998 2.781) 23.696 2.301 ( 18.723 -23.820 12.665) 32.838 3.167 ( 3.268 13.314 -1.445) 13.785 3.432 ( 13.629 -6.415 13.319) 20.107 3.696 ( 2.335 6.133 21.540) 22.517 4.190 ( -11.313 0.932 -2.647) 11.656 5.354 ( -12.838 11.983 -1.365) 17.614 5.453 ( 26.095 -10.424 -0.541) 28.105 6.501 ( 5.205 2.821 14.714) 15.860 7.012 ( 2.308 3.883 -7.017) 8.345 7.419 ( -14.613 8.138 -13.535) 21.516 7.661 ( -7.188 -2.237 4.299) 8.669 7.855 ( -1.957 -4.281 -8.117) 9.383 8.315 ( -5.889 -1.625 16.373) 17.476 8.557 ( -23.957 15.729 0.547) 28.664 8.677 ( -16.418 1.363 3.751) 16.896 9.141 ( -4.604 6.668 1.291) 8.205 9.209 ( 2.764 4.257 -2.745) 5.770 9.966 ( -3.116 0.048 -1.055) 3.290 10.228 ( 1.637 -2.650 5.428) 6.258 10.887 ( 0.388 6.402 -5.734) 8.603 11.201 ( 0.546 -4.510 -6.794) 8.173 11.335 ( -0.861 -13.498 -2.975) 13.849 11.484 ( 2.506 3.723 4.216) 6.158 11.585 ( 5.207 -1.149 3.040) 6.138 11.923 ( -2.005 0.530 -3.327) 3.921 12.061 ( 3.531 1.730 -4.356) 5.868 12.335 ( -0.858 3.418 0.265) 3.534 12.560 ( 6.619 4.143 -0.517) 7.826 12.775 ( -5.677 -1.671 1.245) 6.048 13.033 ( -7.281 -0.488 -12.713) 14.659 13.337 ( -11.260 4.155 0.401) 12.009 13.451 ( -3.015 2.051 -3.212) 4.859 13.618 ( -8.099 -6.563 0.117) 10.425 13.915 ( 10.984 11.343 -7.760) 17.593 14.207 ( 6.662 3.362 3.158) 8.103 14.668 ( -2.318 -2.021 6.950) 7.600 14.830 ( 2.062 -10.522 0.204) 10.724 15.030 ( 0.087 0.211 -0.084) 0.243 15.680 ( 1.860 -2.351 -9.696) 10.149 15.944 ( 0.103 7.646 2.744) 8.124 16.119 ( 8.379 -2.100 4.471) 9.727 16.385 ( 0.821 -4.935 -6.538) 8.232 16.577 ( 2.613 1.819 0.511) 3.225 17.056 ( 10.122 -3.873 -2.679) 11.164 17.419 ( 7.816 -4.555 -14.786) 17.334 17.953 ( 3.786 -0.484 -2.166) 4.389 18.007 ( 5.535 -0.295 3.247) 6.424 18.270 ( -6.580 -7.083 9.618) 13.637 18.550 ( -2.033 -2.946 -8.933) 9.623 19.430 ( 1.163 3.779 34.166) 34.394 21.306 ( 0.210 4.349 9.634) 10.572 21.757 ( 4.588 -6.712 -3.599) 8.892 22.445 ( -4.164 7.640 -4.138) 9.635 ======================= Grid point 85 (30/125) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 2.003 -6.160 -0.442) 6.492 2.805 ( 10.125 -11.555 6.590) 16.717 3.088 ( 4.787 -4.681 8.065) 10.482 3.363 ( -4.546 12.356 17.576) 21.960 3.675 ( -3.540 5.366 7.624) 9.972 4.230 ( 5.696 -5.127 7.519) 10.737 5.072 ( -6.181 5.227 -0.960) 8.151 5.908 ( 17.711 -6.442 -4.784) 19.444 6.539 ( 2.948 0.584 13.854) 14.176 6.982 ( -12.815 -0.076 -14.756) 19.544 7.233 ( 9.604 -0.511 -8.369) 12.750 7.600 ( -4.429 2.749 -4.600) 6.952 7.691 ( -13.276 12.091 10.331) 20.716 8.206 ( -9.410 -13.449 2.895) 16.668 8.309 ( 4.695 10.305 6.905) 13.263 8.612 ( -4.759 -12.707 5.023) 14.469 8.881 ( -6.573 15.565 2.295) 17.051 9.192 ( 0.677 1.244 -2.650) 3.005 9.912 ( -2.346 0.295 2.938) 3.771 10.300 ( 1.821 -1.795 4.336) 5.034 10.805 ( 0.158 3.651 -2.331) 4.334 11.269 ( 0.459 -3.436 -10.851) 11.391 11.365 ( -1.857 2.268 -1.993) 3.545 11.561 ( 2.463 -5.139 0.921) 5.773 11.673 ( 3.092 -0.483 4.714) 5.658 11.866 ( -2.644 1.416 -3.002) 4.244 12.126 ( 2.844 -2.167 -2.622) 4.434 12.267 ( -0.979 2.881 -1.939) 3.608 12.595 ( 4.441 1.974 -1.028) 4.967 12.718 ( -3.105 0.226 1.759) 3.576 12.981 ( -3.613 -1.878 -12.957) 13.582 13.184 ( -2.622 2.724 -2.379) 4.467 13.384 ( -2.053 1.254 -0.068) 2.406 13.605 ( -3.633 -2.536 0.272) 4.439 13.910 ( 4.200 3.582 -9.186) 10.717 14.233 ( 2.329 1.223 3.091) 4.059 14.666 ( -0.889 -0.656 4.768) 4.894 14.959 ( 1.400 -2.469 -4.150) 5.028 15.041 ( -0.400 -1.861 6.809) 7.070 15.714 ( 0.214 -0.686 -7.901) 7.933 15.843 ( -0.252 3.617 2.981) 4.694 16.293 ( 8.352 -3.294 3.162) 9.518 16.434 ( -3.807 -2.696 -1.275) 4.836 16.539 ( 0.247 3.595 -3.141) 4.781 17.205 ( 4.518 -1.493 -1.893) 5.121 17.537 ( 2.654 -1.398 -17.796) 18.047 18.006 ( 0.762 -2.512 -1.910) 3.246 18.044 ( 2.658 2.759 2.550) 4.602 18.291 ( -2.450 -3.294 6.446) 7.643 18.563 ( -0.881 -1.284 -5.104) 5.336 19.400 ( 0.564 1.506 35.334) 35.371 21.264 ( -0.254 1.196 8.370) 8.459 21.920 ( 3.647 -5.492 -3.780) 7.599 22.279 ( -3.453 5.644 -4.984) 8.284 ======================= Grid point 91 (31/125) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 18.559 -0.000 26.155) 32.070 1.159 ( 30.516 -0.000 16.910) 34.889 2.324 ( 51.132 -0.000 40.233) 65.063 3.890 ( 0.780 -0.000 10.445) 10.475 3.988 ( -5.480 0.000 -8.441) 10.064 4.340 ( -9.544 0.000 -12.657) 15.852 4.707 ( 23.418 -0.000 13.428) 26.994 5.929 ( -5.316 0.000 -15.097) 16.006 6.594 ( 0.959 -0.000 14.597) 14.629 7.335 ( -17.482 0.000 -12.620) 21.561 7.614 ( -22.706 0.000 6.841) 23.714 7.809 ( -6.389 0.000 7.663) 9.977 7.990 ( -10.131 0.000 -3.774) 10.811 8.106 ( -9.472 0.000 6.147) 11.292 8.845 ( -0.637 0.000 -6.392) 6.423 9.037 ( 2.831 -0.000 2.437) 3.736 9.631 ( -17.702 0.000 -1.821) 17.796 9.914 ( 6.251 -0.000 2.139) 6.606 9.944 ( -6.960 0.000 -1.072) 7.042 10.084 ( -4.578 0.000 -5.077) 6.837 10.356 ( 9.970 -0.000 1.286) 10.052 11.002 ( -12.825 0.000 1.480) 12.910 11.057 ( 0.333 -0.000 -7.957) 7.964 11.406 ( 15.418 -0.000 1.060) 15.454 11.878 ( 8.536 -0.000 3.236) 9.129 11.903 ( 4.603 -0.000 -2.022) 5.027 12.301 ( -10.408 0.000 1.677) 10.543 12.357 ( -11.284 0.000 -3.043) 11.687 12.440 ( 1.848 -0.000 -2.196) 2.870 12.790 ( 2.927 -0.000 2.685) 3.972 13.170 ( -3.618 0.000 -0.015) 3.618 13.330 ( -9.977 0.000 -8.085) 12.842 13.575 ( -4.890 0.000 1.837) 5.223 13.657 ( -6.885 0.000 2.322) 7.266 14.229 ( 14.760 -0.000 4.526) 15.439 14.376 ( -5.280 0.000 -8.502) 10.008 14.492 ( 1.531 -0.000 3.101) 3.458 14.593 ( 4.068 -0.000 -1.166) 4.232 15.123 ( 3.253 -0.000 3.874) 5.059 15.334 ( 10.366 -0.000 -31.361) 33.030 15.808 ( -1.974 0.000 -0.154) 1.980 16.180 ( -7.646 0.000 -0.665) 7.675 16.421 ( 13.845 -0.000 4.653) 14.606 16.534 ( -2.488 0.000 1.191) 2.758 16.613 ( 6.336 -0.000 -2.206) 6.710 17.072 ( 18.297 -0.000 -0.489) 18.304 17.853 ( 3.756 -0.000 2.883) 4.735 17.904 ( 14.082 -0.000 -1.309) 14.143 18.150 ( -10.258 0.000 18.729) 21.354 18.557 ( 2.091 -0.000 -23.223) 23.316 19.586 ( -0.256 0.000 25.973) 25.974 21.512 ( 1.767 -0.000 -3.546) 3.961 21.728 ( -5.036 0.000 6.407) 8.149 22.790 ( -7.861 0.000 0.298) 7.867 ======================= Grid point 92 (32/125) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 23.181 -15.339 13.499) 30.901 1.702 ( 30.591 -12.351 12.441) 35.258 3.077 ( 48.368 -6.424 26.691) 55.616 3.752 ( -5.343 15.449 -7.994) 18.197 3.905 ( 0.732 4.069 9.969) 10.793 4.176 ( -16.237 -3.079 -8.337) 18.510 5.170 ( 32.512 -6.481 7.688) 34.031 5.754 ( -8.352 11.529 -9.687) 17.220 6.590 ( 1.604 2.162 14.528) 14.775 7.121 ( -26.120 -14.722 -7.198) 30.835 7.283 ( -10.591 10.726 -2.983) 15.366 7.708 ( -12.649 3.705 7.260) 15.048 7.855 ( -15.516 -12.216 0.833) 19.766 7.984 ( -7.478 0.785 2.280) 7.857 8.757 ( -11.558 0.075 -4.432) 12.379 9.000 ( -12.917 6.024 7.037) 15.896 9.238 ( -18.291 6.081 2.151) 19.395 9.650 ( -1.473 17.605 1.496) 17.730 9.972 ( 3.112 2.380 -6.120) 7.266 10.154 ( 3.800 -4.063 1.418) 5.741 10.706 ( 9.331 -16.636 -0.767) 19.090 10.929 ( -8.512 -10.680 0.081) 13.657 11.064 ( 1.262 0.470 -6.751) 6.884 11.597 ( 14.723 2.131 0.973) 14.908 11.799 ( -1.432 12.754 0.471) 12.843 11.967 ( 4.882 2.039 -3.301) 6.236 12.183 ( -2.891 3.215 -4.643) 6.344 12.343 ( -4.555 -9.448 -0.212) 10.491 12.468 ( -0.714 -2.317 -1.735) 2.981 12.768 ( -4.913 -0.058 1.628) 5.176 13.046 ( -8.743 3.613 -6.979) 11.755 13.309 ( -5.049 -7.352 -4.784) 10.121 13.475 ( -6.485 2.263 4.656) 8.297 13.565 ( -5.442 1.121 0.657) 5.595 14.223 ( -2.449 6.784 -5.947) 9.348 14.462 ( 12.872 2.109 4.352) 13.751 14.519 ( 2.944 -3.200 -0.793) 4.420 14.597 ( 2.063 2.077 4.707) 5.543 15.098 ( 1.701 4.711 -0.777) 5.069 15.529 ( 2.113 -7.645 -15.867) 17.739 15.866 ( 1.467 -8.455 -4.427) 9.656 16.145 ( -4.941 -6.020 -2.488) 8.176 16.352 ( -3.133 11.434 0.548) 11.868 16.574 ( 7.387 -0.535 3.637) 8.251 16.815 ( 4.623 -10.144 -1.328) 11.226 17.311 ( 13.991 -1.105 -1.815) 14.151 17.921 ( 4.877 -0.610 1.941) 5.285 18.076 ( -2.023 -2.283 14.848) 15.158 18.127 ( 17.448 1.825 0.083) 17.543 18.577 ( 3.826 2.249 -18.675) 19.196 19.564 ( 1.417 3.268 26.914) 27.149 21.532 ( 0.553 4.084 1.917) 4.545 21.613 ( -1.290 1.303 2.120) 2.803 22.654 ( -5.161 5.085 -2.667) 7.720 ======================= Grid point 93 (33/125) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 18.118 -15.729 6.088) 24.754 2.307 ( 26.506 -14.747 11.990) 32.616 3.416 ( -2.242 18.633 -6.684) 19.922 3.646 ( 15.519 3.485 9.898) 18.734 3.848 ( 2.981 5.629 15.306) 16.579 4.065 ( 2.052 -4.725 1.949) 5.508 5.391 ( -11.357 15.026 -1.561) 18.900 5.696 ( 28.253 -5.986 0.580) 28.886 6.587 ( 2.095 1.859 14.961) 15.221 6.994 ( -17.751 2.258 -12.229) 21.674 7.106 ( -15.419 -17.832 -11.046) 26.033 7.466 ( -11.222 1.181 3.586) 11.840 7.849 ( -1.036 -0.504 -2.663) 2.902 7.968 ( -13.515 -19.240 13.849) 27.288 8.425 ( -25.728 20.875 7.948) 34.072 8.574 ( -12.361 1.728 2.250) 12.682 9.100 ( -6.272 -0.094 2.995) 6.951 9.429 ( -1.167 10.942 0.676) 11.024 9.923 ( -3.568 1.609 -2.858) 4.847 10.270 ( 8.518 0.533 2.987) 9.042 10.933 ( -0.787 -4.390 -9.326) 10.338 11.035 ( -2.749 -6.527 -2.176) 7.409 11.161 ( 6.455 -10.127 -1.114) 12.061 11.601 ( -0.641 8.149 0.995) 8.235 11.755 ( 12.756 2.690 1.143) 13.086 11.958 ( 1.902 4.225 -2.639) 5.332 12.114 ( -1.037 2.846 -7.414) 8.009 12.362 ( -1.801 1.110 0.806) 2.265 12.519 ( -6.246 -9.521 -2.711) 11.706 12.672 ( -10.504 -1.045 0.963) 10.600 12.931 ( -1.731 0.540 -9.514) 9.685 13.280 ( -5.879 1.066 -0.028) 5.975 13.415 ( -1.245 0.394 -1.264) 1.817 13.482 ( -3.989 -1.310 0.586) 4.239 14.112 ( -1.425 4.504 -7.313) 8.706 14.432 ( 6.297 11.054 0.634) 12.738 14.617 ( 0.384 -2.032 7.594) 7.870 14.751 ( 9.348 -7.913 3.440) 12.721 15.053 ( -0.052 2.640 -2.382) 3.556 15.615 ( -1.473 -4.883 -6.888) 8.571 15.995 ( -1.549 -1.742 0.244) 2.344 16.175 ( 0.951 0.722 2.345) 2.631 16.209 ( -7.592 -8.457 -8.396) 14.130 16.638 ( 3.522 1.836 -0.122) 3.973 17.001 ( -0.262 -9.498 -1.015) 9.555 17.465 ( 6.591 -0.392 -4.599) 8.046 17.992 ( 5.337 0.532 1.163) 5.488 18.098 ( -1.161 -3.411 11.830) 12.367 18.336 ( 21.197 7.284 -3.153) 22.634 18.602 ( 5.780 2.623 -11.112) 12.797 19.530 ( 2.879 5.138 28.673) 29.272 21.412 ( 0.328 7.676 7.736) 10.903 21.693 ( 1.918 -6.933 -3.759) 8.116 22.498 ( -4.572 6.743 -4.244) 9.186 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 11.362 -6.432 1.332) 13.124 2.831 ( 18.929 -10.474 10.365) 23.989 3.186 ( 2.421 10.951 0.846) 11.248 3.553 ( 1.212 14.292 15.523) 21.135 3.664 ( -9.525 5.581 4.791) 12.035 4.301 ( 9.416 -0.450 8.652) 12.795 5.093 ( -4.263 7.195 -0.680) 8.391 6.030 ( 5.442 1.145 -4.185) 6.960 6.556 ( -3.565 0.441 11.987) 12.513 6.769 ( -9.682 -6.716 -18.297) 21.763 7.249 ( 1.110 -14.579 -7.374) 16.376 7.421 ( -5.860 -6.992 3.934) 9.935 7.737 ( -15.015 20.720 2.887) 25.750 7.899 ( -10.107 -8.410 13.734) 19.013 8.208 ( 1.029 -20.834 5.055) 21.463 8.471 ( -2.858 -3.116 6.391) 7.664 8.982 ( -4.251 6.432 2.138) 8.001 9.263 ( -3.743 5.248 -0.940) 6.514 9.884 ( -0.494 -0.827 0.505) 1.088 10.351 ( 6.400 2.764 2.475) 7.398 10.865 ( -2.537 5.956 -3.600) 7.408 11.142 ( -2.303 -10.391 -3.869) 11.325 11.337 ( 2.233 -1.394 -7.176) 7.644 11.545 ( 2.643 0.465 1.858) 3.264 11.835 ( 4.021 4.578 0.200) 6.096 11.937 ( 7.591 5.044 -0.542) 9.130 12.088 ( -2.341 -3.015 -5.789) 6.934 12.305 ( -0.801 3.647 -2.341) 4.407 12.523 ( -12.532 -2.636 -0.864) 12.835 12.568 ( -7.802 -8.805 -0.424) 11.772 12.976 ( 6.313 -1.324 -10.182) 12.053 13.203 ( -1.249 2.704 -2.674) 4.003 13.340 ( -4.758 -0.211 0.802) 4.830 13.533 ( 2.040 -3.627 -1.267) 4.350 14.034 ( -0.678 4.291 -7.120) 8.340 14.337 ( 2.448 9.164 3.524) 10.119 14.654 ( 1.264 -1.302 5.603) 5.889 14.955 ( 5.417 -3.026 -0.362) 6.215 15.029 ( 0.703 -0.878 2.155) 2.430 15.658 ( -2.193 -4.035 -5.565) 7.215 15.882 ( -4.492 5.092 2.357) 7.187 16.211 ( -12.988 -8.293 -2.050) 15.546 16.283 ( 1.534 -7.575 1.176) 7.818 16.624 ( 2.017 4.374 -5.598) 7.385 17.080 ( -7.063 -7.271 -0.490) 10.148 17.505 ( -0.342 0.337 -8.997) 9.009 18.051 ( 5.723 1.743 1.529) 6.175 18.124 ( 0.347 0.099 4.776) 4.789 18.446 ( 12.647 8.415 -4.032) 15.717 18.680 ( 14.217 5.183 -2.988) 15.425 19.482 ( 2.322 5.812 30.712) 31.343 21.335 ( 2.608 5.313 7.769) 9.766 21.832 ( -0.248 -8.384 -3.844) 9.227 22.338 ( -2.534 6.815 -4.740) 8.679 ======================= Grid point 95 (35/125) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 9.533 6.794 -1.802) 11.844 2.885 ( -2.666 10.007 -0.052) 10.356 3.155 ( -13.970 19.035 10.411) 25.805 3.321 ( 11.040 -7.177 18.485) 22.695 3.644 ( 2.806 -1.693 10.821) 11.306 4.284 ( -0.684 5.620 5.315) 7.765 5.096 ( 7.684 -3.987 -0.730) 8.687 5.760 ( -21.152 9.614 -6.410) 24.103 6.467 ( -8.487 0.855 14.351) 16.695 7.001 ( 1.880 -17.263 -20.968) 27.225 7.194 ( -5.557 14.970 -2.597) 16.178 7.494 ( -2.297 -10.697 -0.672) 10.962 7.664 ( 11.775 -13.440 8.886) 19.956 7.942 ( -12.248 -16.234 16.335) 26.084 8.442 ( 8.227 -0.899 -0.341) 8.283 8.710 ( 8.210 -19.951 4.406) 22.019 8.861 ( 7.046 7.931 -0.693) 10.631 9.192 ( -2.639 -1.376 0.000) 2.976 9.929 ( 3.186 -1.934 0.362) 3.745 10.349 ( 2.407 5.266 4.153) 7.126 10.761 ( -3.097 1.174 -1.625) 3.690 11.269 ( -0.674 -8.794 -2.998) 9.316 11.291 ( -2.483 4.436 -9.528) 10.799 11.571 ( 0.089 2.615 2.320) 3.497 11.777 ( 0.454 4.372 0.712) 4.453 11.987 ( 9.512 5.166 -4.097) 11.574 12.071 ( -6.621 -0.273 -1.237) 6.741 12.254 ( -0.405 -0.088 -4.566) 4.585 12.427 ( -8.144 -3.818 -0.906) 9.040 12.632 ( -3.704 -9.980 0.033) 10.646 13.076 ( 4.117 2.467 -10.100) 11.183 13.196 ( 6.163 -3.437 -3.980) 8.102 13.350 ( -0.211 -4.517 -0.279) 4.530 13.609 ( 0.529 -3.314 -2.122) 3.970 13.957 ( 1.915 6.688 -5.555) 8.902 14.226 ( -1.626 5.883 5.647) 8.315 14.689 ( 1.871 -0.502 5.723) 6.042 14.969 ( -0.653 0.907 -5.342) 5.458 15.099 ( 3.765 0.929 6.370) 7.458 15.671 ( -3.690 -2.446 -7.174) 8.430 15.786 ( -3.631 -0.647 2.709) 4.576 16.094 ( -17.877 -5.077 3.937) 18.996 16.393 ( -2.898 -7.046 0.844) 7.665 16.573 ( 1.540 5.299 -8.194) 9.879 17.034 ( -11.436 -3.712 0.236) 12.026 17.457 ( -4.983 0.872 -13.234) 14.168 18.072 ( 1.774 4.528 -1.815) 5.190 18.101 ( 3.047 3.983 3.390) 6.053 18.460 ( 6.169 5.876 -2.585) 8.903 18.790 ( 18.563 10.808 -0.195) 21.481 19.426 ( 0.883 3.988 33.107) 33.358 21.310 ( 3.278 3.700 8.269) 9.634 21.875 ( -6.796 -2.071 -3.387) 7.870 22.283 ( 3.668 -0.108 -4.767) 6.016 ======================= Grid point 96 (36/125) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -5.772 24.913 0.647) 25.582 2.450 ( -19.882 28.773 7.157) 35.699 2.979 ( -0.450 -5.389 2.911) 6.141 3.474 ( 3.127 5.123 13.079) 14.391 3.644 ( 3.107 -0.820 23.760) 23.976 4.298 ( 7.072 -2.481 -4.199) 8.590 5.305 ( -20.001 12.343 -1.294) 23.538 5.363 ( 12.602 -9.751 -1.772) 16.032 6.354 ( -9.483 -3.748 14.952) 18.098 6.895 ( -7.782 -0.034 -6.571) 10.185 7.384 ( 5.605 -14.274 -12.243) 19.623 7.622 ( 1.907 -8.111 6.496) 10.565 7.871 ( -6.312 -9.931 2.793) 12.094 8.162 ( 3.755 -15.308 7.988) 17.670 8.640 ( 12.890 -5.941 3.442) 14.605 8.953 ( 14.804 -0.328 -2.296) 14.984 9.076 ( 6.709 -8.161 -3.701) 11.194 9.242 ( 7.319 -4.107 2.152) 8.664 9.990 ( 1.601 -0.094 -2.874) 3.292 10.282 ( 0.601 4.901 6.799) 8.403 10.767 ( -1.876 -6.331 -2.851) 7.192 11.170 ( -5.133 3.997 -6.600) 9.267 11.377 ( -3.256 -7.553 1.824) 8.425 11.463 ( -3.414 5.799 -2.504) 7.180 11.691 ( 0.468 9.380 2.418) 9.698 11.988 ( -2.635 -0.733 -1.443) 3.092 12.022 ( 7.081 5.827 -8.091) 12.230 12.288 ( -0.084 -3.678 -0.889) 3.785 12.412 ( -2.605 -4.516 -0.395) 5.228 12.748 ( -2.774 -9.776 -0.950) 10.206 13.096 ( 3.909 -1.006 -8.894) 9.767 13.396 ( 1.281 -6.202 -3.335) 7.157 13.462 ( 12.261 -4.719 -6.610) 14.707 13.624 ( -7.035 -3.963 -1.785) 8.269 13.905 ( 9.583 9.216 -1.689) 13.402 14.124 ( -2.926 2.805 6.500) 7.660 14.719 ( 2.078 0.342 7.764) 8.045 14.933 ( -0.767 3.439 -5.352) 6.408 15.071 ( 0.760 5.376 3.612) 6.522 15.595 ( -13.391 -0.962 -8.806) 16.056 15.810 ( -1.915 -7.112 3.110) 7.995 15.944 ( -12.313 -4.871 6.463) 14.735 16.405 ( -5.211 -2.299 -2.605) 6.263 16.505 ( -1.570 4.156 -3.858) 5.885 16.906 ( -10.936 -0.466 -0.074) 10.947 17.348 ( -7.060 2.529 -15.943) 17.618 17.975 ( -0.984 7.227 -3.926) 8.283 18.074 ( 2.422 5.665 4.704) 7.752 18.441 ( 3.690 5.333 -3.537) 7.386 18.840 ( 17.098 14.549 0.421) 22.454 19.396 ( -0.121 0.513 35.098) 35.102 21.297 ( 1.076 2.203 10.104) 10.397 21.757 ( -6.723 3.158 -2.899) 7.973 22.396 ( 4.099 -5.627 -4.160) 8.110 ======================= Grid point 97 (37/125) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -14.031 26.257 10.401) 31.535 1.701 ( -16.411 32.446 3.055) 36.488 2.740 ( -8.347 25.633 30.044) 40.365 3.617 ( 12.734 -8.699 -0.970) 15.453 3.755 ( 4.140 -4.967 20.516) 21.511 4.413 ( -2.190 -3.538 -11.179) 11.928 4.869 ( -10.530 14.281 6.797) 19.000 5.654 ( 6.804 -9.352 -8.548) 14.381 6.351 ( -4.440 -8.321 14.061) 16.932 6.950 ( -0.446 -13.367 -1.633) 13.474 7.619 ( 0.551 -11.923 -9.048) 14.978 7.800 ( 4.549 -8.315 9.799) 13.633 7.975 ( 0.973 -10.362 2.458) 10.694 8.362 ( 2.908 -2.892 -2.767) 4.948 8.902 ( 5.996 -11.979 1.821) 13.519 9.086 ( 2.562 3.965 -5.478) 7.232 9.145 ( 1.165 -0.185 0.864) 1.462 9.556 ( 18.659 -6.439 -4.981) 20.358 9.966 ( 2.672 4.172 -0.807) 5.019 10.226 ( -4.923 -0.793 4.920) 7.005 10.875 ( -0.190 -8.010 -5.145) 9.522 11.045 ( -5.789 1.650 0.874) 6.082 11.306 ( -4.588 3.760 -0.777) 5.983 11.454 ( -3.052 -1.430 -5.607) 6.542 11.509 ( 1.493 11.329 4.924) 12.442 11.989 ( 2.174 5.214 -6.214) 8.398 12.049 ( 2.028 -5.189 -0.280) 5.578 12.352 ( 0.523 -3.981 1.466) 4.274 12.525 ( 8.171 -6.386 -1.609) 10.495 12.825 ( -4.746 -6.313 -2.636) 8.326 13.214 ( 6.277 -4.095 -11.813) 13.990 13.406 ( -8.567 -3.404 -7.421) 11.835 13.570 ( -6.603 -3.449 0.120) 7.451 13.701 ( 7.235 -1.801 -5.401) 9.207 13.950 ( 6.693 2.729 2.504) 7.649 14.122 ( 14.144 1.568 5.039) 15.096 14.721 ( 0.472 2.762 7.102) 7.635 14.809 ( -1.593 9.392 -2.701) 9.902 15.025 ( -0.198 0.443 0.792) 0.928 15.336 ( -23.929 -0.159 -5.055) 24.458 15.895 ( -1.138 -4.287 3.443) 5.615 15.955 ( -2.344 -10.010 1.821) 10.441 16.338 ( -0.938 6.991 -1.760) 7.270 16.413 ( -5.801 -1.817 -0.644) 6.113 16.774 ( -6.559 1.727 -1.137) 6.877 17.197 ( -5.336 5.834 -18.375) 20.004 17.846 ( -1.729 6.747 -3.324) 7.718 17.996 ( 0.474 6.792 4.551) 8.190 18.407 ( 1.991 3.779 -4.108) 5.926 18.812 ( 11.928 15.268 -1.396) 19.425 19.402 ( -1.213 -2.374 37.209) 37.304 21.274 ( -2.245 -0.780 15.231) 15.416 21.633 ( -3.060 3.936 -2.519) 5.586 22.534 ( 1.968 -6.717 -2.721) 7.510 ======================= Grid point 98 (38/125) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 22.732 22.391) 31.908 1.133 ( 0.000 30.318 9.853) 31.879 2.184 ( 0.000 35.815 44.685) 57.267 3.809 ( -0.000 -6.720 11.196) 13.058 3.947 ( -0.000 -9.226 3.846) 9.995 4.317 ( 0.000 6.013 -6.700) 9.003 4.675 ( 0.000 4.672 3.897) 6.084 5.834 ( -0.000 -8.843 -13.753) 16.351 6.452 ( -0.000 -7.448 14.094) 15.941 7.214 ( -0.000 -18.906 -1.219) 18.946 7.792 ( -0.000 -10.509 -7.578) 12.957 7.972 ( -0.000 -8.526 8.897) 12.323 8.187 ( -0.000 -10.234 8.927) 13.581 8.273 ( 0.000 12.375 -11.869) 17.147 8.930 ( 0.000 15.031 -1.757) 15.134 9.115 ( 0.000 2.504 -0.016) 2.504 9.232 ( -0.000 -21.672 -0.999) 21.695 9.690 ( 0.000 1.920 -9.835) 10.021 10.048 ( -0.000 -0.676 4.179) 4.233 10.187 ( -0.000 -5.046 -1.315) 5.214 10.944 ( 0.000 5.095 -7.742) 9.269 11.033 ( -0.000 -4.782 3.595) 5.983 11.074 ( 0.000 13.941 -6.595) 15.423 11.386 ( 0.000 4.690 -7.138) 8.541 11.515 ( -0.000 -6.243 13.235) 14.634 11.926 ( 0.000 4.222 -1.244) 4.401 12.173 ( -0.000 -8.665 -0.481) 8.678 12.409 ( -0.000 -3.144 1.729) 3.588 12.751 ( -0.000 -0.087 -0.317) 0.329 12.834 ( -0.000 -6.428 -9.364) 11.358 13.331 ( -0.000 -6.757 -8.212) 10.634 13.356 ( -0.000 -1.044 -11.914) 11.959 13.572 ( -0.000 -2.850 -0.320) 2.868 13.698 ( 0.000 5.492 -3.739) 6.644 13.957 ( 0.000 0.204 5.355) 5.359 14.356 ( -0.000 -4.579 -1.708) 4.888 14.616 ( 0.000 6.157 -1.930) 6.452 14.681 ( 0.000 10.210 -0.895) 10.250 15.031 ( -0.000 -0.820 2.071) 2.227 15.081 ( 0.000 1.844 4.514) 4.876 15.953 ( -0.000 -3.483 3.122) 4.677 16.051 ( -0.000 -0.396 -3.460) 3.483 16.232 ( -0.000 -1.429 4.773) 4.982 16.433 ( -0.000 -3.685 -0.780) 3.767 16.678 ( 0.000 4.804 -2.819) 5.570 17.031 ( 0.000 11.128 -19.288) 22.268 17.747 ( 0.000 3.620 -1.870) 4.074 17.898 ( 0.000 5.835 4.261) 7.225 18.400 ( -0.000 -1.615 -6.984) 7.169 18.686 ( 0.000 12.524 -2.745) 12.821 19.443 ( -0.000 -4.781 38.628) 38.923 21.309 ( -0.000 -8.606 24.580) 26.043 21.557 ( 0.000 3.365 -2.347) 4.102 22.657 ( -0.000 -8.187 0.495) 8.202 ======================= Grid point 101 (39/125) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 25.345 -0.000 10.975) 27.619 2.067 ( 33.604 -0.000 11.075) 35.382 3.666 ( 38.530 -0.000 17.395) 42.275 3.857 ( 0.157 -0.000 -8.998) 9.000 3.897 ( -11.469 0.000 -5.966) 12.928 3.955 ( -1.100 0.000 8.122) 8.196 5.597 ( 35.224 -0.000 5.813) 35.701 5.777 ( -5.684 0.000 -11.603) 12.921 6.576 ( -30.096 0.000 0.826) 30.107 6.623 ( 0.875 -0.000 15.052) 15.077 7.263 ( -8.979 0.000 -3.712) 9.716 7.356 ( -30.718 0.000 0.163) 30.719 7.579 ( -10.741 0.000 12.970) 16.841 7.907 ( -8.688 0.000 -3.405) 9.331 8.574 ( -15.194 0.000 -2.137) 15.343 8.928 ( -9.915 0.000 7.198) 12.253 8.990 ( -19.570 0.000 5.197) 20.248 9.612 ( -15.704 0.000 5.554) 16.657 10.015 ( -2.386 0.000 -8.665) 8.988 10.280 ( 14.550 -0.000 -0.221) 14.552 10.726 ( -5.609 0.000 3.534) 6.630 10.807 ( 19.001 -0.000 -5.285) 19.722 11.103 ( 4.292 -0.000 -6.644) 7.910 11.790 ( 11.490 -0.000 0.099) 11.491 11.953 ( -3.067 0.000 -2.065) 3.697 12.047 ( -7.643 0.000 1.105) 7.723 12.101 ( 9.435 -0.000 -5.751) 11.049 12.151 ( -5.822 0.000 -8.521) 10.320 12.492 ( -0.523 0.000 2.854) 2.901 12.572 ( -17.155 0.000 -1.473) 17.218 13.007 ( -5.809 0.000 -4.969) 7.645 13.202 ( -1.227 0.000 -4.861) 5.013 13.431 ( -2.332 0.000 4.101) 4.717 13.519 ( -3.108 0.000 1.360) 3.393 14.185 ( -8.581 0.000 -6.737) 10.910 14.524 ( 2.703 -0.000 9.595) 9.968 14.577 ( 10.252 -0.000 3.626) 10.874 14.736 ( 5.650 -0.000 -4.550) 7.254 15.184 ( 0.686 -0.000 5.338) 5.382 15.481 ( 1.852 -0.000 -15.523) 15.633 15.770 ( -2.207 0.000 -6.146) 6.530 16.054 ( -2.322 0.000 -0.113) 2.324 16.380 ( -9.217 0.000 0.429) 9.227 16.613 ( 1.661 -0.000 -3.191) 3.597 16.817 ( 8.151 -0.000 3.813) 8.999 17.479 ( 10.429 -0.000 -0.579) 10.445 18.005 ( 7.230 -0.000 1.553) 7.395 18.027 ( -0.303 0.000 14.987) 14.990 18.467 ( 25.745 -0.000 -2.569) 25.873 18.651 ( 4.013 -0.000 -15.266) 15.785 19.619 ( 3.134 -0.000 23.556) 23.764 21.566 ( 1.428 -0.000 -3.795) 4.055 21.586 ( -4.027 0.000 5.993) 7.220 22.618 ( -5.514 0.000 -3.705) 6.643 ======================= Grid point 102 (40/125) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 19.529 -8.664 5.548) 22.073 2.552 ( 30.010 -5.215 11.967) 32.727 3.638 ( -2.043 12.046 -6.832) 13.998 3.750 ( -6.712 2.279 0.216) 7.091 3.935 ( 1.871 6.204 9.284) 11.322 4.236 ( 24.964 -2.956 7.533) 26.243 5.507 ( -9.112 17.837 -3.278) 20.297 6.006 ( 18.206 -1.489 -4.950) 18.925 6.464 ( -14.585 -18.922 -1.567) 23.942 6.603 ( -4.067 -1.402 12.761) 13.467 6.845 ( -19.675 5.486 -4.398) 20.893 7.292 ( -9.091 -7.805 1.840) 12.122 7.515 ( -9.304 -14.125 16.263) 23.464 7.795 ( -5.665 -0.687 1.467) 5.892 8.375 ( -14.987 -2.507 2.464) 15.394 8.494 ( -14.373 22.281 4.704) 26.929 8.952 ( -7.943 -7.360 3.912) 11.514 9.379 ( -15.676 1.045 6.318) 16.934 9.933 ( -2.626 3.845 -5.702) 7.361 10.461 ( 12.305 1.306 -1.236) 12.436 10.751 ( -0.950 -7.658 0.229) 7.720 11.030 ( 4.453 -1.214 -8.743) 9.886 11.223 ( 13.559 -1.703 -2.546) 13.900 11.723 ( -2.736 10.443 -0.745) 10.821 11.918 ( 7.414 1.238 -2.178) 7.826 12.027 ( -5.510 2.206 -6.989) 9.169 12.102 ( -8.821 -4.597 -2.849) 10.347 12.226 ( 1.734 -5.052 -5.187) 7.446 12.384 ( -3.144 -1.565 -1.118) 3.686 12.443 ( -13.283 -1.779 3.439) 13.836 12.969 ( 3.409 0.849 -7.850) 8.600 13.189 ( -4.297 -2.325 -3.547) 6.038 13.443 ( -1.748 1.303 0.079) 2.182 13.456 ( 2.367 1.672 2.207) 3.643 14.070 ( -7.307 -0.438 -3.822) 8.258 14.567 ( 2.596 -0.091 4.575) 5.261 14.671 ( 4.868 4.816 3.359) 7.627 14.827 ( 8.777 -2.801 0.915) 9.258 15.117 ( -0.711 5.948 0.665) 6.027 15.528 ( -1.025 -3.649 -5.246) 6.472 15.808 ( -7.087 -10.045 -4.176) 12.983 16.042 ( -3.383 -1.430 -0.707) 3.740 16.199 ( -7.751 3.266 -0.242) 8.415 16.648 ( -1.466 -2.857 -7.862) 8.493 16.933 ( 5.538 -1.163 3.844) 6.841 17.574 ( 5.873 2.403 -2.015) 6.658 18.056 ( 1.798 -2.044 11.952) 12.258 18.103 ( 8.021 0.975 2.390) 8.426 18.666 ( 4.558 4.070 -9.820) 11.566 18.812 ( 25.654 2.746 -3.251) 26.005 19.643 ( 3.552 3.293 22.274) 22.795 21.513 ( 0.415 4.512 6.071) 7.575 21.610 ( -0.937 -4.634 -3.727) 6.021 22.519 ( -4.243 3.792 -4.076) 7.000 ======================= Grid point 103 (41/125) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 14.118 -8.641 1.815) 16.651 3.000 ( 22.184 -4.821 11.209) 25.318 3.435 ( 2.130 15.079 -1.665) 15.319 3.625 ( -5.876 4.476 2.710) 7.869 3.794 ( 1.620 13.561 12.910) 18.794 4.417 ( 2.514 3.330 4.543) 6.169 5.179 ( -3.025 10.202 -0.917) 10.681 6.064 ( -13.737 10.100 -5.861) 18.029 6.296 ( -15.210 -16.790 -15.971) 27.719 6.653 ( -2.813 2.531 9.771) 10.478 6.946 ( 7.846 -22.192 2.705) 23.693 7.303 ( -1.953 -6.648 12.400) 14.204 7.619 ( -10.620 -9.581 9.310) 17.066 7.933 ( -7.676 19.778 5.400) 21.892 7.953 ( 6.791 -13.285 2.922) 15.203 8.313 ( -6.399 -8.970 4.904) 12.060 8.943 ( -4.834 -3.402 2.480) 6.410 9.162 ( -14.680 0.027 4.711) 15.417 9.895 ( 2.510 0.067 -3.494) 4.302 10.549 ( 9.069 6.586 -1.364) 11.291 10.854 ( -2.949 -4.790 -4.702) 7.331 11.010 ( -1.049 0.422 0.490) 1.233 11.422 ( 9.025 0.609 -7.544) 11.779 11.591 ( -1.348 3.088 -1.833) 3.835 11.924 ( 0.456 1.030 -1.867) 2.181 11.965 ( -6.742 -1.822 -5.221) 8.720 12.042 ( -2.573 -1.641 -4.522) 5.455 12.254 ( -12.930 0.530 4.334) 13.647 12.320 ( -5.077 -9.692 -2.385) 11.198 12.438 ( 9.008 2.596 -5.661) 10.952 13.062 ( 8.381 -1.598 -8.495) 12.040 13.186 ( -1.530 -3.214 -3.698) 5.133 13.305 ( -5.151 5.878 -1.240) 7.913 13.538 ( 3.707 -1.979 -0.474) 4.229 14.010 ( -3.835 -1.384 -0.081) 4.078 14.541 ( 3.336 9.994 1.067) 10.590 14.659 ( 1.695 -0.086 6.717) 6.929 15.007 ( 7.111 -4.915 4.029) 9.537 15.027 ( -1.339 3.464 -3.101) 4.838 15.561 ( -2.675 -3.859 -3.160) 5.660 15.802 ( -12.212 -6.138 2.549) 13.903 15.927 ( -10.917 0.974 -2.143) 11.168 16.176 ( -2.413 -5.803 -0.120) 6.286 16.651 ( -2.275 -1.135 -11.557) 11.833 16.982 ( 1.730 1.421 3.242) 3.940 17.568 ( 2.039 5.165 -5.043) 7.502 18.116 ( 2.026 -1.505 6.930) 7.375 18.188 ( 7.809 2.383 4.039) 9.109 18.640 ( 2.431 5.006 -5.384) 7.743 19.089 ( 25.738 7.586 -2.841) 26.982 19.606 ( 1.464 5.994 23.024) 23.837 21.469 ( 4.164 5.525 6.825) 9.719 21.672 ( -4.650 -7.802 -3.852) 9.866 22.406 ( -1.205 5.231 -3.990) 6.688 ======================= Grid point 104 (42/125) ======================= q-point: (-0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 14.668 -4.360 -1.352) 15.362 3.045 ( -4.335 17.641 -2.317) 18.313 3.281 ( -13.044 22.435 1.993) 26.028 3.425 ( 13.065 -1.672 19.518) 23.547 3.725 ( 5.570 3.550 14.228) 15.686 4.322 ( -4.530 2.696 1.229) 5.413 5.163 ( 8.656 -2.002 -0.723) 8.914 5.656 ( -15.843 10.851 -7.837) 20.741 6.287 ( -16.617 -4.376 8.152) 19.019 6.716 ( -0.765 -14.936 -10.173) 18.088 7.232 ( -9.465 -5.818 0.716) 11.133 7.406 ( 2.118 3.272 10.175) 10.896 7.589 ( -8.761 -9.660 12.233) 17.880 7.654 ( 11.191 -3.146 3.193) 12.056 8.414 ( 8.022 -16.559 2.940) 18.633 8.503 ( 5.773 -19.561 6.570) 21.427 8.979 ( 3.909 -4.183 0.350) 5.735 9.008 ( -12.502 -5.959 3.513) 14.288 9.983 ( 7.809 -0.635 -4.357) 8.965 10.513 ( 3.503 8.952 -0.136) 9.614 10.761 ( -4.111 5.139 -1.156) 6.682 11.094 ( -1.901 -9.517 1.197) 9.779 11.358 ( -4.590 5.309 -11.458) 13.437 11.631 ( 3.948 1.908 -0.985) 4.494 11.827 ( -2.298 5.627 -2.263) 6.485 11.973 ( -4.813 -1.597 -1.097) 5.188 12.044 ( -3.226 -7.871 -7.015) 11.026 12.154 ( -2.931 -2.486 2.902) 4.816 12.391 ( -5.149 -9.464 -0.861) 10.808 12.510 ( 10.943 7.398 -8.317) 15.609 13.132 ( -3.095 3.944 -4.934) 7.034 13.207 ( 1.177 -5.624 -3.085) 6.522 13.302 ( 7.783 -5.131 -7.217) 11.790 13.589 ( 0.463 -0.587 -2.352) 2.467 13.997 ( -0.752 -0.596 3.903) 4.019 14.414 ( 5.306 12.390 3.124) 13.836 14.695 ( 1.304 -1.467 6.427) 6.720 14.976 ( -0.969 1.437 -4.379) 4.709 15.141 ( 3.178 -2.384 3.890) 5.560 15.536 ( -11.819 -2.891 -3.954) 12.793 15.713 ( -7.515 -2.424 4.138) 8.915 15.775 ( -10.953 -2.436 0.964) 11.262 16.227 ( -4.453 -6.410 -0.647) 7.832 16.629 ( -1.459 0.623 -11.732) 11.839 16.939 ( -1.253 4.227 2.771) 5.207 17.484 ( -0.598 6.626 -8.706) 10.957 18.135 ( 0.781 1.932 1.007) 2.315 18.232 ( 5.882 4.437 5.139) 8.983 18.594 ( 2.085 4.743 -2.694) 5.839 19.265 ( 21.402 11.981 -1.738) 24.589 19.517 ( 0.041 6.251 25.612) 26.364 21.442 ( 4.061 6.124 7.561) 10.543 21.699 ( -7.931 -6.752 -3.073) 10.860 22.352 ( 2.672 2.690 -3.955) 5.479 ======================= Grid point 105 (43/125) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -11.563 27.973 4.757) 30.640 2.710 ( -5.809 30.256 -3.980) 31.065 2.981 ( 7.953 -4.224 0.258) 9.009 3.576 ( 5.735 -0.691 16.012) 17.022 3.737 ( 3.797 4.301 23.432) 24.124 4.284 ( -2.007 -3.243 -7.319) 8.253 5.297 ( -6.614 9.354 -3.318) 11.927 5.416 ( 10.368 -3.116 -1.796) 10.974 6.122 ( -13.589 -5.374 14.560) 20.628 6.852 ( -1.684 3.082 -6.296) 7.209 7.131 ( -6.355 -16.063 -4.029) 17.739 7.528 ( 3.106 -8.423 10.288) 13.654 7.593 ( -6.223 -7.616 6.259) 11.658 8.005 ( 6.393 -17.465 3.642) 18.952 8.678 ( 6.989 -6.099 3.482) 9.908 8.885 ( 3.644 -16.540 3.600) 17.315 9.001 ( -6.599 -11.905 1.933) 13.748 9.255 ( 12.896 -13.692 -1.819) 18.896 10.066 ( 6.264 3.710 -7.189) 10.231 10.379 ( -2.749 9.449 1.639) 9.976 10.679 ( -1.716 -0.967 -0.207) 1.981 11.147 ( -5.303 -4.053 3.255) 7.426 11.283 ( -0.431 0.838 -9.801) 9.846 11.498 ( -3.488 10.285 -2.144) 11.070 11.772 ( -0.133 2.018 0.139) 2.027 11.967 ( 0.789 -1.472 -0.534) 1.754 12.140 ( 1.399 -6.064 -8.696) 10.693 12.203 ( -0.765 -5.618 1.310) 5.819 12.443 ( 3.245 6.651 -6.350) 9.751 12.506 ( -3.799 -6.635 -2.750) 8.125 13.109 ( 1.778 -2.752 -5.951) 6.793 13.281 ( -3.051 -5.738 -2.945) 7.135 13.532 ( 9.289 -7.001 -9.447) 14.984 13.568 ( -1.505 1.844 -1.682) 2.914 13.988 ( -1.463 0.302 7.621) 7.766 14.367 ( 15.214 10.607 1.938) 18.647 14.734 ( 1.357 -1.233 7.760) 7.973 14.942 ( -2.354 1.481 -5.069) 5.782 15.113 ( -9.159 2.076 1.683) 9.541 15.341 ( -13.697 0.413 -0.171) 13.705 15.698 ( -1.581 -4.020 1.396) 4.540 15.749 ( -3.727 -5.816 3.321) 7.664 16.253 ( -4.145 -5.278 -1.081) 6.798 16.587 ( -0.489 3.569 -9.233) 9.911 16.836 ( -2.702 4.948 2.284) 6.083 17.363 ( -1.687 6.801 -11.928) 13.834 18.076 ( -0.161 6.125 -2.773) 6.726 18.207 ( 2.666 6.541 5.501) 8.953 18.550 ( 1.411 4.464 -4.149) 6.256 19.296 ( 13.128 14.902 -0.192) 19.860 19.433 ( -0.383 4.487 29.464) 29.806 21.380 ( 0.708 6.130 8.951) 10.872 21.677 ( -4.820 -2.515 -1.914) 5.764 22.388 ( 2.615 -1.799 -4.013) 5.116 ======================= Grid point 106 (44/125) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 29.668 9.760) 31.232 2.170 ( 0.000 34.605 -3.257) 34.758 3.003 ( 0.000 10.953 13.811) 17.627 3.640 ( -0.000 -1.561 6.943) 7.116 3.731 ( -0.000 -1.837 24.830) 24.898 4.324 ( -0.000 -3.776 -12.036) 12.614 5.035 ( 0.000 15.402 3.831) 15.871 5.589 ( -0.000 -6.472 -7.375) 9.812 6.158 ( -0.000 -10.668 14.731) 18.188 6.807 ( -0.000 -3.360 -0.470) 3.392 7.398 ( -0.000 -18.184 -8.060) 19.890 7.693 ( -0.000 -9.305 10.334) 13.906 7.704 ( -0.000 -14.905 6.362) 16.206 8.296 ( -0.000 -12.951 -1.855) 13.083 8.802 ( -0.000 -6.093 2.563) 6.610 9.089 ( -0.000 -7.716 2.343) 8.064 9.125 ( -0.000 -5.107 -2.505) 5.688 9.578 ( -0.000 -11.253 -6.313) 12.903 10.070 ( 0.000 0.404 -3.097) 3.124 10.180 ( 0.000 9.500 2.427) 9.805 10.743 ( -0.000 -7.815 -1.829) 8.026 11.124 ( 0.000 12.620 -1.889) 12.761 11.195 ( -0.000 -6.243 6.523) 9.029 11.437 ( -0.000 -1.364 -7.247) 7.374 11.696 ( 0.000 8.651 1.942) 8.866 12.005 ( -0.000 -2.091 -0.763) 2.226 12.145 ( 0.000 9.801 -14.413) 17.430 12.282 ( -0.000 -5.292 2.495) 5.850 12.470 ( -0.000 -10.972 -2.299) 11.210 12.594 ( -0.000 -8.944 -2.436) 9.269 13.213 ( -0.000 -5.786 -9.666) 11.265 13.302 ( -0.000 -1.320 -4.731) 4.912 13.518 ( 0.000 1.507 1.337) 2.015 13.705 ( -0.000 -5.612 -8.563) 10.238 13.964 ( 0.000 0.398 7.956) 7.966 14.420 ( 0.000 7.404 -0.787) 7.446 14.784 ( -0.000 -1.172 8.643) 8.722 14.785 ( 0.000 4.992 -2.494) 5.580 15.014 ( -0.000 -0.564 0.346) 0.662 15.203 ( 0.000 5.514 0.084) 5.515 15.790 ( -0.000 -8.612 1.721) 8.782 15.811 ( -0.000 -5.513 2.814) 6.190 16.297 ( -0.000 -4.845 -0.963) 4.939 16.489 ( 0.000 8.989 -5.177) 10.373 16.755 ( 0.000 2.121 0.784) 2.261 17.249 ( 0.000 5.953 -14.972) 16.112 17.960 ( 0.000 8.339 -4.111) 9.297 18.113 ( 0.000 7.584 5.199) 9.194 18.489 ( 0.000 4.936 -6.235) 7.952 19.152 ( 0.000 16.504 -3.847) 16.947 19.383 ( 0.000 1.047 37.666) 37.680 21.296 ( 0.000 4.585 12.063) 12.905 21.653 ( 0.000 1.409 -1.826) 2.306 22.459 ( -0.000 -4.900 -3.661) 6.116 ======================= Grid point 111 (45/125) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 16.381 -0.000 3.702) 16.794 2.915 ( 27.362 -0.000 13.444) 30.487 3.687 ( -1.386 0.000 0.358) 1.432 3.711 ( -2.701 0.000 -4.387) 5.152 4.024 ( 3.048 -0.000 9.598) 10.070 4.475 ( 8.794 -0.000 0.403) 8.803 5.611 ( -6.688 0.000 -9.392) 11.530 5.758 ( -21.700 0.000 -8.288) 23.229 6.356 ( -24.654 0.000 -0.368) 24.657 6.507 ( 19.532 -0.000 3.812) 19.900 6.805 ( 0.698 -0.000 16.829) 16.844 7.110 ( 0.770 -0.000 1.845) 1.999 7.292 ( -9.074 0.000 18.742) 20.823 7.731 ( -1.143 0.000 2.536) 2.781 8.133 ( -15.345 0.000 4.264) 15.926 8.629 ( -9.714 0.000 2.875) 10.131 8.689 ( -4.489 0.000 2.940) 5.366 9.151 ( -16.636 0.000 6.970) 18.037 9.914 ( -4.560 0.000 -5.750) 7.339 10.545 ( 4.825 -0.000 -4.685) 6.725 10.811 ( 11.085 -0.000 5.729) 12.477 11.056 ( -0.642 0.000 -11.317) 11.335 11.408 ( 12.838 -0.000 -1.526) 12.928 11.783 ( -11.173 0.000 -4.569) 12.071 11.802 ( -10.836 0.000 -2.599) 11.143 11.933 ( -8.712 0.000 -7.693) 11.623 12.022 ( 4.362 -0.000 -7.464) 8.645 12.160 ( -2.170 0.000 -0.038) 2.170 12.281 ( -11.562 0.000 7.788) 13.940 12.463 ( 12.919 -0.000 -4.817) 13.788 13.048 ( 7.252 -0.000 -8.505) 11.177 13.115 ( -3.627 0.000 -4.766) 5.989 13.468 ( 0.713 -0.000 -2.611) 2.707 13.475 ( -0.459 0.000 0.266) 0.530 13.965 ( -5.126 0.000 2.330) 5.631 14.597 ( 2.505 -0.000 5.524) 6.066 14.825 ( 7.724 -0.000 3.681) 8.557 14.851 ( 2.086 -0.000 -3.301) 3.904 15.145 ( -3.682 0.000 4.346) 5.696 15.482 ( -1.880 0.000 -5.155) 5.487 15.626 ( -7.951 0.000 -0.601) 7.974 15.976 ( -7.796 0.000 -0.865) 7.843 16.091 ( -6.494 0.000 -0.702) 6.532 16.611 ( -0.349 0.000 -10.627) 10.633 17.024 ( 6.406 -0.000 2.623) 6.922 17.668 ( 4.361 -0.000 -2.388) 4.972 18.074 ( 2.982 -0.000 11.796) 12.167 18.229 ( 8.783 -0.000 3.583) 9.486 18.720 ( 0.920 -0.000 -5.831) 5.904 19.209 ( 26.852 -0.000 -4.073) 27.160 19.708 ( 1.673 -0.000 18.159) 18.236 21.533 ( -4.703 0.000 -4.082) 6.228 21.569 ( 3.004 -0.000 5.827) 6.556 22.499 ( -2.689 0.000 -3.549) 4.453 ======================= Grid point 112 (46/125) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 13.828 -6.023 1.836) 15.194 3.252 ( 19.230 -0.694 12.383) 22.882 3.624 ( -2.242 7.674 3.088) 8.571 3.653 ( 0.686 4.403 -1.165) 4.605 3.995 ( 2.343 8.820 11.091) 14.363 4.422 ( -10.352 3.198 -1.282) 10.910 5.302 ( -3.627 11.465 -5.498) 13.223 5.802 ( -12.217 -19.172 -12.525) 25.955 5.987 ( -16.830 8.150 -6.860) 19.918 6.685 ( -0.758 4.089 11.181) 11.929 6.839 ( 7.892 -7.863 13.074) 17.176 7.182 ( -0.998 -4.668 13.414) 14.238 7.347 ( -3.142 -12.907 8.537) 15.790 7.835 ( 7.894 -10.117 5.585) 13.995 8.022 ( -9.302 -8.321 3.879) 13.070 8.295 ( 1.117 21.534 2.253) 21.680 8.777 ( -4.902 -8.080 2.635) 9.811 8.948 ( -13.803 -0.719 5.878) 15.019 9.894 ( -0.036 -4.565 -4.618) 6.494 10.656 ( 4.939 -3.771 -5.390) 8.226 10.865 ( 2.311 7.330 -2.760) 8.166 11.019 ( -1.513 0.926 1.303) 2.201 11.512 ( -6.585 3.235 -7.052) 10.176 11.556 ( -3.977 -1.266 -3.221) 5.272 11.759 ( -3.460 -6.033 -4.655) 8.369 11.877 ( -3.456 -2.946 -2.630) 5.247 12.048 ( -1.376 1.696 -5.899) 6.290 12.147 ( -6.412 -2.374 4.197) 8.023 12.190 ( 2.751 0.755 -1.609) 3.275 12.644 ( 14.235 1.118 -6.061) 15.512 13.085 ( -1.846 -1.761 -3.828) 4.601 13.173 ( 7.639 -2.361 -9.752) 12.610 13.342 ( -5.861 7.539 -5.821) 11.184 13.530 ( -0.067 -3.653 -3.074) 4.774 13.957 ( 1.388 -1.344 9.277) 9.476 14.633 ( 1.873 -0.541 4.651) 5.043 14.767 ( 1.742 8.320 1.200) 8.585 14.987 ( 3.128 -4.503 0.608) 5.517 15.063 ( -2.582 1.608 1.300) 3.308 15.441 ( -9.442 -2.746 -2.965) 10.270 15.565 ( -5.202 -3.436 3.445) 7.123 15.825 ( -9.584 1.544 -0.990) 9.758 16.075 ( -1.546 -2.921 -1.006) 3.455 16.614 ( -0.302 -0.419 -12.377) 12.388 17.075 ( 4.009 2.963 1.654) 5.253 17.679 ( 2.355 4.508 -4.092) 6.528 18.126 ( 2.589 -1.199 9.449) 9.870 18.331 ( 7.683 1.804 5.167) 9.433 18.709 ( 0.342 2.199 -2.558) 3.390 19.519 ( 22.785 4.273 -4.470) 23.609 19.684 ( -0.835 3.504 17.089) 17.465 21.485 ( -7.689 -4.927 -3.994) 9.967 21.600 ( 4.691 3.189 6.093) 8.325 22.455 ( -0.447 2.498 -3.043) 3.963 ======================= Grid point 113 (47/125) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 10.267 -8.679 -1.029) 13.484 3.278 ( -3.796 19.388 0.143) 19.756 3.444 ( -1.450 9.712 -0.698) 9.845 3.606 ( 7.190 5.889 16.163) 18.645 3.872 ( 2.595 8.390 15.305) 17.646 4.240 ( -9.039 0.054 -3.643) 9.745 5.264 ( 8.461 -0.365 -4.357) 9.524 5.633 ( -11.425 7.304 -4.803) 14.386 5.937 ( -10.299 -11.108 -6.137) 16.343 6.615 ( 1.728 0.159 13.588) 13.698 7.002 ( -5.844 -8.472 1.009) 10.341 7.317 ( 1.400 -11.238 18.192) 21.429 7.410 ( -5.197 -5.274 3.742) 8.296 7.946 ( 5.437 16.586 -1.294) 17.502 8.213 ( 7.250 -20.268 6.818) 22.579 8.260 ( 2.260 -16.302 8.135) 18.358 8.792 ( -8.046 -1.692 4.613) 9.428 8.860 ( -3.017 -10.358 1.458) 10.887 10.055 ( 7.228 -7.277 -5.341) 11.564 10.652 ( -2.758 7.605 -7.158) 10.802 10.798 ( 0.548 2.806 -1.874) 3.418 11.002 ( 2.205 -0.085 6.528) 6.890 11.262 ( -14.196 1.269 -7.890) 16.291 11.669 ( 3.229 -5.734 -5.128) 8.343 11.810 ( -2.822 -6.295 -3.469) 7.722 11.934 ( 1.316 -0.365 -3.458) 3.718 11.950 ( -0.728 3.903 -2.794) 4.855 12.118 ( -1.746 1.043 -2.122) 2.940 12.223 ( -1.278 -5.067 1.369) 5.402 12.797 ( 13.869 5.527 -9.573) 17.735 13.112 ( -1.421 -4.025 0.067) 4.269 13.124 ( -8.648 5.193 -8.809) 13.392 13.331 ( 6.092 -5.311 -10.777) 13.471 13.571 ( -0.586 -2.294 -3.664) 4.363 13.999 ( 2.211 0.364 12.851) 13.045 14.646 ( 4.095 4.539 2.041) 6.445 14.699 ( 2.370 1.945 4.599) 5.527 14.985 ( -0.679 1.443 -2.903) 3.312 15.092 ( -4.286 -2.681 0.679) 5.101 15.308 ( -10.795 -1.710 2.186) 11.146 15.581 ( -1.509 -4.145 3.013) 5.342 15.703 ( -4.531 1.656 -0.636) 4.866 16.107 ( -1.568 -3.868 -1.278) 4.366 16.610 ( -0.537 0.079 -12.037) 12.050 17.042 ( 1.515 6.227 1.173) 6.515 17.603 ( 0.645 7.768 -6.598) 10.212 18.163 ( 1.046 0.073 4.935) 5.045 18.371 ( 4.350 3.965 6.139) 8.505 18.671 ( 0.418 3.333 -0.458) 3.390 19.593 ( -0.705 5.760 19.663) 20.502 19.679 ( 13.378 8.506 -4.835) 16.574 21.476 ( -6.575 -6.594 -3.077) 9.807 21.593 ( 3.167 4.673 6.639) 8.715 22.420 ( 1.041 2.576 -3.007) 4.094 ======================= Grid point 114 (48/125) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 27.889 3.234) 28.076 2.932 ( -0.000 -7.155 -3.546) 7.985 3.146 ( 0.000 25.076 -5.778) 25.733 3.614 ( 0.000 0.986 19.009) 19.035 3.823 ( 0.000 3.195 21.649) 21.883 4.204 ( -0.000 -3.087 -8.230) 8.790 5.365 ( 0.000 2.825 -8.904) 9.342 5.488 ( 0.000 0.605 -0.585) 0.841 5.923 ( -0.000 -3.349 11.326) 11.811 6.769 ( -0.000 -16.048 4.160) 16.579 6.970 ( 0.000 4.370 -4.501) 6.273 7.450 ( -0.000 -5.055 2.770) 5.764 7.470 ( -0.000 -5.877 18.752) 19.651 7.856 ( -0.000 -3.557 -0.004) 3.557 8.596 ( -0.000 -18.644 3.531) 18.976 8.597 ( -0.000 -23.762 6.168) 24.549 8.750 ( -0.000 -3.550 6.193) 7.138 9.082 ( -0.000 -17.578 -0.296) 17.580 10.184 ( 0.000 0.755 -7.534) 7.572 10.494 ( 0.000 8.871 -5.776) 10.586 10.710 ( 0.000 6.180 2.347) 6.611 11.047 ( -0.000 -2.534 7.117) 7.554 11.205 ( -0.000 -6.567 -10.878) 12.707 11.729 ( 0.000 17.573 -7.347) 19.047 11.765 ( -0.000 -2.689 -2.527) 3.690 11.906 ( -0.000 -7.804 -2.531) 8.204 12.016 ( -0.000 -5.315 -4.736) 7.119 12.129 ( -0.000 -3.775 2.256) 4.397 12.315 ( -0.000 -8.353 1.406) 8.470 12.728 ( 0.000 15.911 -13.623) 20.946 13.057 ( -0.000 -4.225 -5.009) 6.553 13.175 ( -0.000 -5.115 -1.302) 5.278 13.480 ( -0.000 -7.587 -11.340) 13.644 13.583 ( 0.000 0.321 -2.859) 2.877 13.993 ( 0.000 1.533 13.100) 13.189 14.636 ( 0.000 5.093 0.827) 5.160 14.729 ( -0.000 -1.370 5.500) 5.668 14.936 ( 0.000 4.948 -2.195) 5.413 14.998 ( -0.000 -0.373 -1.164) 1.223 15.285 ( -0.000 -1.314 4.206) 4.406 15.642 ( -0.000 -5.137 2.722) 5.814 15.656 ( 0.000 0.063 -0.249) 0.257 16.155 ( -0.000 -4.264 -1.274) 4.451 16.602 ( 0.000 0.390 -10.559) 10.566 16.938 ( 0.000 8.195 1.347) 8.305 17.477 ( 0.000 8.688 -9.210) 12.662 18.146 ( 0.000 3.017 0.280) 3.030 18.325 ( 0.000 5.875 6.150) 8.505 18.620 ( 0.000 3.766 -1.140) 3.935 19.500 ( 0.000 5.666 25.734) 26.350 19.611 ( 0.000 12.640 -4.952) 13.575 21.470 ( 0.000 3.668 4.304) 5.655 21.587 ( -0.000 -3.410 1.288) 3.645 22.401 ( 0.000 1.032 -3.479) 3.629 ======================= Grid point 121 (49/125) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 10.226 -0.000 1.164) 10.292 3.457 ( 10.254 -0.000 10.909) 14.971 3.648 ( -2.964 0.000 1.535) 3.338 3.716 ( 3.049 -0.000 5.349) 6.157 4.100 ( 1.945 -0.000 10.968) 11.140 4.256 ( -13.998 0.000 -3.393) 14.403 5.351 ( -7.248 0.000 -6.707) 9.875 5.556 ( 4.652 -0.000 -10.560) 11.539 5.836 ( -14.376 0.000 -8.667) 16.787 6.756 ( 5.164 -0.000 -0.631) 5.202 6.854 ( 0.177 -0.000 29.687) 29.687 7.149 ( -1.368 0.000 16.684) 16.739 7.176 ( -2.867 0.000 3.750) 4.720 7.825 ( -6.149 0.000 4.661) 7.716 7.857 ( 6.324 -0.000 5.831) 8.602 8.568 ( 4.659 -0.000 1.491) 4.892 8.640 ( -0.075 0.000 2.175) 2.176 8.792 ( -8.172 0.000 4.923) 9.540 9.793 ( -3.676 0.000 -3.800) 5.287 10.733 ( 9.579 -0.000 -4.434) 10.556 10.861 ( -8.700 0.000 -5.655) 10.377 11.083 ( 6.082 -0.000 0.574) 6.109 11.310 ( -17.653 0.000 -4.654) 18.256 11.526 ( -0.396 0.000 -6.617) 6.629 11.737 ( 2.644 -0.000 -0.864) 2.781 11.829 ( -0.058 0.000 -0.087) 0.104 12.019 ( -6.859 0.000 5.537) 8.815 12.058 ( 1.032 -0.000 -4.573) 4.688 12.280 ( 4.367 -0.000 -8.745) 9.775 12.840 ( 12.957 -0.000 -4.400) 13.683 13.046 ( -1.403 0.000 -3.587) 3.852 13.244 ( 4.997 -0.000 -10.434) 11.569 13.310 ( -10.021 0.000 -14.718) 17.806 13.475 ( 0.133 -0.000 -0.531) 0.547 14.004 ( 4.978 -0.000 14.644) 15.467 14.646 ( 0.944 -0.000 4.976) 5.065 14.822 ( -3.887 0.000 0.530) 3.923 15.014 ( 6.596 -0.000 0.799) 6.644 15.019 ( -3.298 0.000 -0.905) 3.420 15.281 ( -10.084 0.000 0.474) 10.095 15.514 ( -0.785 0.000 2.942) 3.045 15.730 ( -5.222 0.000 -0.565) 5.252 16.043 ( -0.373 0.000 -1.352) 1.403 16.616 ( 0.360 -0.000 -13.351) 13.356 17.144 ( 2.220 -0.000 0.958) 2.418 17.743 ( 1.331 -0.000 -4.342) 4.542 18.147 ( 1.725 -0.000 10.229) 10.374 18.434 ( 4.862 -0.000 6.342) 7.991 18.726 ( -0.063 0.000 -0.907) 0.909 19.692 ( -1.540 0.000 14.501) 14.582 19.812 ( 14.330 -0.000 -5.400) 15.313 21.341 ( -6.749 0.000 -4.042) 7.867 21.682 ( 3.302 -0.000 5.866) 6.732 22.470 ( -0.048 0.000 -2.407) 2.408 ======================= Grid point 122 (50/125) ======================= q-point: (-0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.000 -5.800 -0.296) 5.807 3.516 ( 0.000 13.386 1.428) 13.462 3.516 ( 0.000 1.551 4.872) 5.113 3.726 ( 0.000 2.690 12.016) 12.314 4.037 ( 0.000 9.171 12.764) 15.717 4.152 ( -0.000 -0.656 -4.621) 4.668 5.316 ( -0.000 -1.929 -7.137) 7.393 5.603 ( 0.000 4.715 3.110) 5.649 5.746 ( -0.000 -7.417 -19.337) 20.711 6.731 ( 0.000 10.438 25.804) 27.836 6.850 ( -0.000 -5.747 -2.443) 6.245 7.192 ( -0.000 -6.452 16.883) 18.074 7.253 ( -0.000 -9.564 6.053) 11.319 7.887 ( -0.000 -12.522 3.233) 12.932 8.003 ( -0.000 -12.791 7.626) 14.891 8.452 ( 0.000 20.699 3.683) 21.024 8.672 ( -0.000 -7.824 1.155) 7.909 8.731 ( 0.000 0.130 4.335) 4.337 9.906 ( -0.000 -14.924 -4.200) 15.504 10.729 ( 0.000 6.548 -6.408) 9.161 10.846 ( -0.000 -0.298 -3.103) 3.117 11.109 ( -0.000 -0.028 -9.857) 9.857 11.119 ( 0.000 5.850 7.005) 9.127 11.581 ( -0.000 -6.549 -7.756) 10.151 11.748 ( -0.000 -0.576 -0.435) 0.722 11.885 ( -0.000 -4.797 0.818) 4.866 11.971 ( -0.000 -0.377 2.957) 2.981 12.089 ( -0.000 -2.574 -4.791) 5.438 12.261 ( 0.000 5.889 -7.555) 9.579 12.967 ( -0.000 -1.539 -3.017) 3.387 13.052 ( -0.000 -2.302 -0.008) 2.302 13.134 ( 0.000 9.438 -17.813) 20.159 13.305 ( -0.000 -3.227 -11.023) 11.485 13.515 ( -0.000 -3.849 -2.774) 4.744 14.038 ( 0.000 0.947 15.865) 15.893 14.659 ( -0.000 -0.827 4.979) 5.048 14.773 ( 0.000 1.753 0.647) 1.869 14.995 ( 0.000 0.137 -1.952) 1.957 15.062 ( 0.000 2.626 -2.181) 3.413 15.204 ( -0.000 -2.271 4.532) 5.069 15.526 ( -0.000 -2.137 2.832) 3.547 15.689 ( 0.000 0.798 -0.400) 0.893 16.055 ( -0.000 -1.900 -1.446) 2.387 16.615 ( 0.000 0.461 -13.150) 13.158 17.131 ( 0.000 3.604 0.784) 3.688 17.711 ( 0.000 5.137 -5.203) 7.312 18.166 ( -0.000 -0.614 8.469) 8.491 18.451 ( 0.000 2.210 6.713) 7.067 18.712 ( 0.000 1.767 -0.037) 1.767 19.654 ( 0.000 3.331 15.333) 15.691 19.880 ( 0.000 4.587 -5.605) 7.243 21.330 ( -0.000 -5.053 -3.686) 6.254 21.681 ( 0.000 3.200 6.152) 6.934 22.458 ( 0.000 1.544 -2.393) 2.848 ======================= Grid point 162 (51/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 0.000 36.468) 36.468 1.446 ( 0.000 0.000 37.148) 37.148 2.628 ( 0.000 0.000 58.088) 58.088 3.988 ( 0.000 0.000 -9.009) 9.009 3.989 ( 0.000 0.000 -21.108) 21.108 4.255 ( 0.000 0.000 18.599) 18.599 4.815 ( 0.000 0.000 21.143) 21.143 5.712 ( 0.000 0.000 -14.757) 14.757 6.810 ( 0.000 0.000 3.128) 3.128 7.099 ( 0.000 0.000 -27.258) 27.258 7.906 ( 0.000 0.000 5.357) 5.357 8.050 ( 0.000 0.000 7.749) 7.749 8.272 ( 0.000 0.000 -9.205) 9.205 8.577 ( 0.000 0.000 15.380) 15.380 8.863 ( 0.000 0.000 30.066) 30.066 9.042 ( 0.000 0.000 1.739) 1.739 9.479 ( 0.000 0.000 -8.562) 8.562 9.774 ( 0.000 0.000 -9.685) 9.685 10.119 ( 0.000 0.000 -13.491) 13.491 10.140 ( 0.000 0.000 4.605) 4.605 10.185 ( 0.000 0.000 0.217) 0.217 10.848 ( 0.000 0.000 -12.785) 12.785 11.068 ( 0.000 0.000 -10.914) 10.914 11.141 ( 0.000 0.000 -2.762) 2.762 11.843 ( 0.000 0.000 0.953) 0.953 12.055 ( 0.000 0.000 20.286) 20.286 12.267 ( 0.000 0.000 -6.908) 6.908 12.633 ( 0.000 0.000 5.598) 5.598 12.715 ( 0.000 0.000 6.176) 6.176 12.771 ( 0.000 0.000 -2.050) 2.050 13.301 ( 0.000 0.000 3.626) 3.626 13.371 ( 0.000 0.000 -10.548) 10.548 13.475 ( 0.000 0.000 -8.627) 8.627 13.487 ( 0.000 0.000 -6.325) 6.325 14.071 ( 0.000 0.000 6.749) 6.749 14.215 ( 0.000 0.000 -4.583) 4.583 14.425 ( 0.000 0.000 -5.604) 5.604 14.468 ( 0.000 0.000 -1.606) 1.606 15.104 ( 0.000 0.000 2.533) 2.533 15.207 ( 0.000 0.000 6.986) 6.986 15.960 ( 0.000 0.000 2.845) 2.845 16.097 ( 0.000 0.000 5.458) 5.458 16.401 ( 0.000 0.000 -3.436) 3.436 16.468 ( 0.000 0.000 -2.056) 2.056 16.519 ( 0.000 0.000 1.088) 1.088 16.723 ( 0.000 0.000 0.766) 0.766 17.689 ( 0.000 0.000 -1.615) 1.615 17.905 ( 0.000 0.000 6.482) 6.482 18.081 ( 0.000 0.000 -19.701) 19.701 18.416 ( 0.000 0.000 -4.268) 4.268 20.089 ( 0.000 0.000 23.926) 23.926 21.383 ( 0.000 0.000 -7.434) 7.434 21.986 ( 0.000 0.000 11.495) 11.495 22.918 ( 0.000 0.000 -7.657) 7.657 ======================= Grid point 163 (52/125) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 1.642 -0.840 33.140) 33.191 1.620 ( 11.424 -11.608 32.535) 36.383 2.903 ( 18.314 -12.709 48.523) 53.399 3.822 ( -11.017 9.314 -10.800) 18.022 4.021 ( 0.573 -3.488 -12.590) 13.077 4.288 ( 0.722 -1.516 12.498) 12.610 4.893 ( 8.212 -3.332 21.883) 23.610 5.638 ( -3.379 4.612 -12.700) 13.928 6.783 ( 0.525 3.817 2.462) 4.572 7.090 ( -3.684 -1.201 -23.798) 24.111 7.843 ( -0.752 7.211 4.695) 8.637 7.926 ( -14.080 8.915 4.566) 17.280 8.126 ( -8.703 0.786 3.881) 9.561 8.633 ( 5.347 3.132 8.231) 10.302 8.824 ( -12.215 -9.781 16.766) 22.934 9.067 ( -0.004 -3.299 1.120) 3.484 9.497 ( 3.658 14.982 -8.331) 17.529 9.597 ( 6.429 10.028 -1.021) 11.956 9.951 ( -12.752 4.386 -1.166) 13.535 10.241 ( 0.853 -5.289 1.702) 5.621 10.470 ( 3.911 -24.983 -8.126) 26.560 10.840 ( -0.368 0.675 -12.491) 12.515 11.087 ( -4.119 -5.741 -10.180) 12.392 11.179 ( 9.181 3.450 -4.952) 10.987 11.838 ( 1.012 2.099 2.942) 3.753 11.991 ( -3.108 5.834 13.426) 14.965 12.240 ( 0.974 4.760 -4.336) 6.512 12.524 ( -6.452 2.485 4.069) 8.022 12.577 ( -14.174 0.290 1.121) 14.221 12.810 ( 3.639 -0.901 3.602) 5.199 13.190 ( -7.216 6.230 -4.366) 10.486 13.359 ( -1.184 -3.304 -3.708) 5.106 13.513 ( 5.146 1.948 -6.654) 8.634 13.646 ( 11.258 1.328 -6.394) 13.015 14.027 ( -2.493 0.789 2.607) 3.692 14.262 ( -8.889 3.878 -2.361) 9.981 14.397 ( 3.149 -9.162 -4.986) 10.896 14.568 ( 5.801 -5.555 -3.545) 8.779 15.106 ( -0.636 1.985 3.675) 4.225 15.204 ( 2.176 -3.285 2.280) 4.553 15.926 ( -3.985 -3.201 3.595) 6.249 16.218 ( 10.052 3.689 3.237) 11.186 16.325 ( -3.614 -3.862 -2.776) 5.973 16.432 ( 1.321 7.290 3.702) 8.282 16.615 ( 7.889 -3.021 -2.938) 8.944 16.837 ( 11.369 -2.419 -2.608) 11.913 17.731 ( 5.804 -0.021 -1.750) 6.062 17.929 ( -0.553 -3.550 4.366) 5.654 18.132 ( 3.622 -2.682 -14.513) 15.197 18.440 ( -3.648 -5.860 -2.063) 7.204 20.089 ( -0.370 -0.413 25.337) 25.343 21.409 ( 0.861 -2.672 -7.333) 7.852 21.898 ( -2.710 8.024 14.183) 16.519 22.775 ( -5.687 9.879 -4.338) 12.196 ======================= Grid point 164 (53/125) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 14.791 -14.535 17.041) 26.841 2.047 ( 16.283 -17.962 24.319) 34.339 3.251 ( 7.420 5.357 6.399) 11.167 3.603 ( 2.557 -3.454 18.250) 18.749 4.075 ( -1.261 -2.549 -3.863) 4.796 4.276 ( -4.375 -0.834 11.550) 12.379 5.133 ( 16.691 -4.286 14.246) 22.358 5.529 ( -2.534 4.369 -5.860) 7.736 6.727 ( 1.845 4.820 1.049) 5.266 7.000 ( -3.226 7.112 -12.503) 14.741 7.540 ( -22.673 2.663 -0.778) 22.842 7.694 ( -4.865 6.059 -0.977) 7.831 8.002 ( -5.071 5.603 8.279) 11.210 8.592 ( -8.530 -3.595 10.045) 13.660 8.832 ( -8.415 -5.988 0.492) 10.340 9.089 ( 5.085 14.327 -7.319) 16.873 9.216 ( -6.081 7.393 8.107) 12.544 9.432 ( -10.128 10.597 5.381) 15.615 9.891 ( 3.096 -5.594 0.017) 6.394 10.301 ( -2.760 -4.387 4.361) 6.773 10.768 ( -1.893 -0.961 -9.422) 9.658 10.937 ( 5.876 -17.563 -10.570) 21.324 11.071 ( -5.920 -1.904 -8.777) 10.757 11.320 ( 13.383 -0.646 -9.610) 16.488 11.748 ( -2.542 8.100 9.786) 12.955 11.893 ( -1.413 0.959 -0.383) 1.750 12.114 ( -3.823 8.002 -0.029) 8.868 12.379 ( -2.936 1.337 -0.995) 3.376 12.558 ( 0.446 -1.520 2.634) 3.073 12.828 ( -1.201 0.469 -0.151) 1.298 12.981 ( -9.199 5.045 -4.136) 11.278 13.383 ( -2.191 -2.192 -3.270) 4.505 13.534 ( -1.006 2.876 -6.924) 7.565 13.622 ( -5.273 2.483 -1.254) 5.962 13.917 ( 0.158 10.172 -1.386) 10.267 14.170 ( 3.058 1.474 -2.279) 4.089 14.592 ( 2.135 -10.869 -1.905) 11.239 14.723 ( 2.691 -4.779 -2.513) 6.033 15.059 ( -1.835 -0.388 3.877) 4.307 15.363 ( 8.063 -4.860 -5.832) 11.074 15.974 ( 0.854 -5.565 3.287) 6.519 16.216 ( 3.123 8.001 4.608) 9.747 16.255 ( -5.184 -1.551 -2.978) 6.177 16.506 ( 9.648 0.643 2.076) 9.890 16.780 ( 9.011 -4.157 -4.197) 10.775 17.043 ( 14.681 0.317 -6.186) 15.935 17.827 ( 7.440 0.220 -1.871) 7.674 18.000 ( 0.775 -5.624 3.796) 6.829 18.236 ( 4.443 -2.906 -7.418) 9.122 18.475 ( -7.177 -8.084 1.267) 10.884 20.094 ( -0.074 -0.685 28.888) 28.896 21.487 ( 2.022 -4.886 -6.490) 8.372 21.719 ( -2.973 8.611 14.912) 17.475 22.548 ( -5.565 9.236 -4.470) 11.673 ======================= Grid point 165 (54/125) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 11.802 -14.272 6.876) 19.755 2.556 ( 14.476 -18.061 11.946) 26.048 3.104 ( 3.100 6.534 -2.844) 7.771 3.819 ( 5.815 -0.570 21.949) 22.714 4.016 ( -7.422 2.640 -0.152) 7.879 4.316 ( 6.918 -6.664 23.615) 25.494 5.294 ( -4.593 6.010 -2.700) 8.032 5.518 ( 15.722 -1.384 8.108) 17.744 6.678 ( -0.221 4.804 -6.047) 7.726 6.908 ( 7.347 1.700 -1.315) 7.655 7.173 ( -21.348 9.738 -5.452) 24.089 7.650 ( -8.329 -14.336 -10.320) 19.530 7.827 ( -3.846 8.779 8.416) 12.755 8.523 ( -5.007 8.658 3.877) 10.726 8.637 ( -16.018 7.129 3.756) 17.931 8.803 ( -10.645 0.008 9.573) 14.316 9.105 ( 3.183 9.607 1.275) 10.200 9.276 ( -4.656 1.718 9.368) 10.602 10.011 ( 0.265 -4.608 5.389) 7.095 10.325 ( -0.939 -3.063 4.327) 5.383 10.726 ( 0.165 1.767 -10.772) 10.917 11.026 ( -1.754 0.094 -10.158) 10.309 11.226 ( 0.920 -10.508 -9.210) 14.003 11.506 ( 7.453 -3.234 -11.842) 14.361 11.629 ( 0.233 3.152 8.002) 8.604 11.856 ( -0.672 3.306 -0.019) 3.374 12.004 ( 0.141 0.667 -1.359) 1.520 12.349 ( -0.106 2.072 0.338) 2.102 12.564 ( 3.297 3.675 1.372) 5.124 12.764 ( -4.291 2.054 -8.312) 9.577 12.839 ( -7.066 -1.111 0.072) 7.154 13.289 ( -10.175 6.408 -4.869) 12.973 13.393 ( -1.260 2.029 -1.951) 3.084 13.624 ( -4.692 -6.758 -1.108) 8.301 13.799 ( 4.728 9.767 -2.531) 11.142 14.202 ( 4.387 2.041 -4.117) 6.354 14.712 ( -2.085 -3.411 -1.010) 4.124 14.806 ( 1.998 -2.902 -3.337) 4.853 15.110 ( 2.169 -6.097 6.958) 9.502 15.510 ( 4.569 -2.644 -6.788) 8.599 16.021 ( -0.389 6.028 4.951) 7.811 16.163 ( 4.223 -4.019 -0.552) 5.856 16.305 ( -0.126 -5.283 -0.572) 5.316 16.565 ( 3.670 3.429 -1.039) 5.129 16.975 ( 9.160 -4.102 -4.902) 11.169 17.196 ( 11.035 3.117 -9.127) 14.656 17.918 ( 5.145 -1.160 -0.060) 5.274 18.104 ( 2.916 -3.459 5.611) 7.208 18.322 ( 2.649 -1.919 -2.867) 4.349 18.488 ( -7.631 -6.948 0.838) 10.354 20.107 ( 0.502 -0.551 33.113) 33.121 21.538 ( -1.811 3.176 11.235) 11.815 21.655 ( 3.062 -4.899 -5.281) 7.827 22.340 ( -5.442 8.399 -6.268) 11.809 ======================= Grid point 166 (55/125) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.720 -3.471 2.241) 4.475 2.850 ( 5.083 -3.726 -1.823) 6.561 3.332 ( 13.832 -15.205 14.080) 24.915 3.719 ( -6.583 12.214 15.105) 20.510 3.862 ( -5.177 1.425 12.224) 13.351 4.546 ( 7.099 -4.180 22.380) 23.848 5.065 ( -6.553 6.051 2.586) 9.286 5.828 ( 16.894 -4.762 -3.014) 17.809 6.579 ( -8.903 2.590 -17.706) 19.987 6.737 ( -10.269 9.280 -5.467) 14.881 7.166 ( 15.222 -11.905 3.836) 19.702 7.570 ( -12.021 11.924 3.751) 17.342 7.840 ( -2.768 -14.179 -1.746) 14.552 8.128 ( -5.465 14.336 -2.142) 15.492 8.558 ( -1.924 -0.467 9.376) 9.583 8.764 ( -2.518 -6.915 9.694) 12.171 8.965 ( -1.315 11.770 7.904) 14.239 9.181 ( -2.911 1.028 6.544) 7.235 10.037 ( -1.574 -1.409 9.702) 9.930 10.379 ( 1.292 -2.381 2.977) 4.025 10.719 ( 0.905 1.068 -7.451) 7.581 11.019 ( -0.030 -0.274 -12.404) 12.407 11.292 ( -1.172 -1.291 -8.057) 8.243 11.594 ( 1.256 -2.635 -10.712) 11.103 11.645 ( 1.126 0.607 0.558) 1.396 11.799 ( 0.041 2.078 3.078) 3.714 12.067 ( 2.390 -3.249 -3.248) 5.178 12.292 ( -1.427 2.730 3.760) 4.861 12.578 ( 5.163 2.196 -0.882) 5.679 12.682 ( -4.539 0.371 -9.965) 10.957 12.788 ( -3.216 -1.166 -0.745) 3.501 13.102 ( -3.650 3.648 -5.806) 7.769 13.362 ( -0.679 0.621 -0.501) 1.047 13.655 ( -5.203 -5.758 3.015) 8.326 13.743 ( 5.010 6.304 -6.622) 10.426 14.221 ( 1.703 0.867 -4.758) 5.128 14.705 ( -1.330 -0.342 -0.096) 1.376 14.848 ( 0.522 -0.606 -5.592) 5.649 15.242 ( 1.949 -4.675 10.503) 11.661 15.567 ( 1.104 -0.148 -6.092) 6.193 15.917 ( -0.871 3.641 4.274) 5.682 16.318 ( 4.651 -4.823 -3.801) 7.703 16.370 ( -0.228 -2.980 -0.332) 3.007 16.517 ( -0.680 4.435 -0.095) 4.487 17.125 ( 3.821 -3.015 -5.737) 7.524 17.245 ( 3.800 3.223 -11.317) 12.365 18.000 ( 2.826 -1.706 2.434) 4.101 18.148 ( 0.466 0.536 6.654) 6.692 18.377 ( 1.240 -1.664 1.617) 2.631 18.481 ( -3.590 -2.440 -3.338) 5.476 20.120 ( 0.366 -0.184 36.041) 36.043 21.471 ( -1.067 1.542 11.722) 11.871 21.804 ( 3.513 -5.608 -8.132) 10.484 22.155 ( -3.960 5.945 -7.160) 10.114 ======================= Grid point 172 (56/125) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 8.684 -0.000 32.421) 33.564 1.606 ( 16.546 -0.000 27.079) 31.734 3.192 ( 32.565 -0.000 40.559) 52.014 3.830 ( -7.289 0.000 -4.817) 8.737 3.892 ( -5.991 0.000 -19.669) 20.562 4.246 ( -3.844 0.000 11.868) 12.475 5.065 ( 20.243 -0.000 22.036) 29.923 5.616 ( -4.130 0.000 -13.873) 14.474 6.819 ( 0.443 -0.000 1.305) 1.378 6.983 ( -8.623 0.000 -22.251) 23.863 7.794 ( -24.423 0.000 9.993) 26.388 7.874 ( -3.855 0.000 5.235) 6.501 8.007 ( -3.082 0.000 10.881) 11.309 8.427 ( -24.519 0.000 16.794) 29.719 8.703 ( -3.102 0.000 -7.085) 7.734 9.078 ( 5.704 -0.000 1.936) 6.024 9.628 ( -1.225 0.000 1.565) 1.988 9.793 ( -7.142 0.000 -6.606) 9.729 9.980 ( -8.104 0.000 -6.638) 10.476 10.055 ( 5.591 -0.000 7.378) 9.257 10.334 ( 9.959 -0.000 -3.095) 10.428 10.842 ( -0.114 0.000 -13.435) 13.436 10.956 ( -7.473 0.000 -6.183) 9.699 11.365 ( 13.662 -0.000 -6.384) 15.080 11.875 ( 2.232 -0.000 -0.348) 2.259 12.028 ( -2.241 0.000 10.008) 10.255 12.283 ( -4.340 0.000 -3.134) 5.354 12.348 ( -11.713 0.000 2.963) 12.082 12.400 ( -7.029 0.000 -0.996) 7.099 12.851 ( -1.828 0.000 2.202) 2.862 13.195 ( -5.045 0.000 -3.814) 6.325 13.200 ( -6.096 0.000 2.530) 6.600 13.569 ( -0.170 0.000 -2.452) 2.458 13.686 ( -5.597 0.000 0.307) 5.605 14.186 ( -8.757 0.000 -9.734) 13.093 14.251 ( 23.269 -0.000 -5.434) 23.895 14.408 ( 7.788 -0.000 -6.623) 10.224 14.561 ( 2.799 -0.000 -2.108) 3.504 15.084 ( -4.966 0.000 2.189) 5.427 15.193 ( 4.159 -0.000 2.789) 5.008 15.852 ( -2.896 0.000 3.986) 4.927 16.157 ( -6.709 0.000 -1.738) 6.930 16.512 ( 15.581 -0.000 5.187) 16.422 16.558 ( -2.164 0.000 0.972) 2.372 16.570 ( 4.222 -0.000 -1.983) 4.664 17.044 ( 17.921 -0.000 -2.808) 18.139 17.868 ( 13.277 -0.000 -2.218) 13.461 17.906 ( 1.382 -0.000 0.662) 1.532 18.191 ( 7.380 -0.000 -11.625) 13.770 18.349 ( -3.316 0.000 3.403) 4.752 20.080 ( -0.342 0.000 24.195) 24.197 21.403 ( 1.497 -0.000 -7.710) 7.854 21.903 ( -5.476 0.000 11.019) 12.305 22.742 ( -9.422 0.000 -5.147) 10.737 ======================= Grid point 173 (57/125) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 17.470 -5.437 20.665) 27.600 2.020 ( 21.535 -13.578 19.737) 32.213 3.477 ( 1.656 12.596 -11.122) 16.885 3.752 ( 22.808 -0.813 26.626) 35.068 3.924 ( -7.952 -7.888 -10.104) 15.085 4.208 ( -1.363 -1.498 15.530) 15.662 5.382 ( 21.446 1.291 10.634) 23.973 5.560 ( 1.155 1.582 -4.543) 4.947 6.786 ( -3.051 2.365 -5.204) 6.479 6.904 ( -8.915 -6.822 -9.505) 14.710 7.332 ( -21.394 12.992 7.032) 25.999 7.703 ( -14.694 6.693 1.494) 16.216 8.008 ( -2.045 -0.266 15.234) 15.373 8.182 ( -20.727 -12.054 10.436) 26.150 8.645 ( -9.024 -3.731 -6.670) 11.825 9.159 ( -2.571 -0.428 7.993) 8.407 9.317 ( -15.166 14.061 6.466) 21.668 9.617 ( -0.422 16.042 -3.958) 16.528 9.882 ( 0.017 -1.945 -2.517) 3.181 10.204 ( 4.987 -4.575 4.231) 7.981 10.640 ( 4.184 -13.142 -6.389) 15.199 10.842 ( 1.685 -3.397 -11.232) 11.855 10.914 ( -4.854 -5.457 -6.655) 9.880 11.544 ( 14.685 2.026 -8.010) 16.850 11.846 ( -4.342 10.983 4.435) 12.615 11.903 ( 1.153 1.178 -2.294) 2.825 12.129 ( -8.035 3.795 -0.147) 8.888 12.356 ( -7.544 -13.238 1.350) 15.296 12.399 ( 2.727 1.108 -4.263) 5.180 12.754 ( -12.014 -1.738 -4.037) 12.793 12.994 ( -5.190 8.640 2.635) 10.418 13.254 ( -3.537 -6.050 -0.529) 7.028 13.537 ( -3.809 -0.405 0.380) 3.849 13.561 ( -6.747 5.039 0.032) 8.421 14.054 ( -3.058 4.762 -8.740) 10.412 14.431 ( 11.809 11.064 -7.388) 17.789 14.527 ( 10.147 -4.970 0.960) 11.340 14.694 ( 5.362 -4.819 -0.705) 7.244 15.026 ( -1.818 0.512 -0.604) 1.983 15.330 ( 3.911 -8.742 -3.197) 10.096 15.868 ( -1.614 -6.772 2.986) 7.575 16.114 ( -4.224 -3.625 -1.413) 5.743 16.380 ( -3.187 10.423 1.999) 11.081 16.610 ( 1.807 -0.960 0.261) 2.063 16.798 ( 8.881 -6.749 0.148) 11.155 17.261 ( 14.031 1.187 -4.101) 14.666 17.943 ( 4.797 0.623 -0.620) 4.877 18.078 ( 17.714 1.508 -1.624) 17.852 18.305 ( 6.414 0.085 -3.685) 7.398 18.337 ( 0.053 -2.763 3.861) 4.748 20.085 ( 0.535 -0.636 25.680) 25.693 21.453 ( 2.200 -3.287 -7.663) 8.623 21.776 ( -5.277 5.615 11.453) 13.804 22.574 ( -7.456 5.526 -5.560) 10.818 ======================= Grid point 174 (58/125) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 14.196 -9.688 10.419) 20.098 2.545 ( 22.276 -13.997 10.866) 28.464 3.275 ( 3.076 10.862 -6.521) 13.037 3.872 ( -8.069 -1.412 2.371) 8.528 3.979 ( 5.711 4.476 10.210) 12.526 4.365 ( 14.018 -6.804 21.817) 26.810 5.345 ( -5.117 9.739 -1.649) 11.124 5.759 ( 18.617 0.307 6.614) 19.759 6.671 ( -13.345 1.820 -14.843) 20.043 6.902 ( -5.735 -0.909 9.223) 10.899 6.983 ( -11.308 -2.634 -1.924) 11.769 7.399 ( -10.273 0.524 -8.875) 13.586 7.935 ( 0.073 5.842 11.579) 12.970 8.226 ( -11.359 -17.850 12.056) 24.352 8.577 ( -9.915 -2.477 -2.072) 10.428 8.691 ( -21.041 16.536 17.578) 32.018 9.220 ( -4.120 0.662 8.532) 9.497 9.395 ( 1.606 13.965 -2.320) 14.247 9.911 ( -3.543 -4.724 2.099) 6.267 10.323 ( 6.124 -0.420 2.404) 6.593 10.713 ( -1.320 -3.086 -13.330) 13.746 10.953 ( -1.354 -4.904 -6.583) 8.319 11.064 ( 4.210 -10.309 -8.615) 14.079 11.634 ( -0.285 6.142 -1.210) 6.266 11.718 ( 9.937 2.514 -4.612) 11.240 11.898 ( 1.079 1.755 -1.975) 2.854 11.998 ( -4.033 2.127 -1.963) 4.964 12.377 ( -2.240 1.896 0.456) 2.970 12.454 ( -6.828 -10.991 -2.978) 13.278 12.628 ( -11.689 -3.233 -7.133) 14.070 12.821 ( -3.248 4.960 0.550) 5.954 13.233 ( -6.666 0.973 -3.616) 7.646 13.414 ( -1.627 4.385 0.419) 4.696 13.507 ( -2.281 -2.092 1.725) 3.543 13.970 ( 0.996 4.957 -5.828) 7.715 14.404 ( 7.767 9.457 -4.518) 13.045 14.672 ( 2.931 -1.488 0.059) 3.287 14.820 ( 6.394 -0.632 -2.316) 6.830 15.046 ( 1.026 -5.229 5.310) 7.523 15.488 ( 2.049 -5.559 -5.023) 7.768 16.005 ( -0.454 -10.352 0.817) 10.394 16.102 ( -6.244 -1.038 -2.487) 6.801 16.225 ( -1.834 1.042 2.627) 3.369 16.605 ( -3.074 0.509 -2.919) 4.269 16.975 ( 3.175 -5.364 -0.987) 6.311 17.368 ( 6.699 3.662 -6.075) 9.757 18.012 ( 7.589 1.369 1.351) 7.829 18.250 ( 9.325 4.650 3.371) 10.952 18.346 ( 7.351 -0.187 4.090) 8.414 18.452 ( 9.604 0.050 -4.715) 10.699 20.109 ( 1.111 -0.618 29.073) 29.101 21.556 ( 2.490 -4.210 -3.798) 6.193 21.634 ( -2.271 3.751 7.518) 8.703 22.388 ( -5.387 7.301 -6.721) 11.291 ======================= Grid point 175 (59/125) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 9.133 -2.583 3.747) 10.204 2.912 ( 8.963 -0.439 -2.303) 9.264 3.340 ( 13.815 -6.407 12.633) 19.786 3.767 ( -10.026 4.307 4.702) 11.882 3.881 ( 2.407 8.141 17.529) 19.476 4.583 ( 3.866 -2.189 16.452) 17.041 5.107 ( -4.043 8.584 4.561) 10.528 5.964 ( 5.591 1.240 -2.558) 6.272 6.336 ( -21.942 -4.265 -20.081) 30.048 6.761 ( -3.101 6.571 1.682) 7.458 7.145 ( 7.440 -15.551 -1.446) 17.300 7.489 ( 3.841 -6.901 1.851) 8.112 7.777 ( -5.759 12.091 3.705) 13.896 8.207 ( -10.926 1.408 14.202) 17.974 8.381 ( -2.402 -9.405 10.591) 14.367 8.598 ( -4.165 -8.980 5.998) 11.575 9.079 ( -5.852 8.865 7.856) 13.212 9.242 ( -0.023 5.350 2.729) 6.006 9.945 ( -2.901 -5.823 5.932) 8.804 10.392 ( 4.647 0.635 1.143) 4.828 10.736 ( -0.463 0.253 -10.298) 10.311 11.019 ( 1.803 -3.303 -7.668) 8.541 11.178 ( -1.844 -3.310 -9.632) 10.351 11.582 ( -0.481 -1.451 -0.925) 1.787 11.787 ( 6.333 7.213 -10.864) 14.496 11.854 ( 1.040 3.345 2.050) 4.059 12.005 ( -0.452 -5.473 -2.896) 6.209 12.302 ( -3.355 1.636 2.126) 4.296 12.485 ( -11.504 -3.116 -2.741) 12.229 12.527 ( -8.733 -8.985 -4.967) 13.478 12.799 ( 4.856 0.208 -5.847) 7.603 13.110 ( -3.572 3.349 -6.385) 8.046 13.359 ( -2.032 0.323 1.974) 2.851 13.541 ( 0.566 -2.951 0.944) 3.149 13.919 ( 3.572 5.913 -3.661) 7.818 14.353 ( 5.141 8.779 -2.562) 10.491 14.707 ( 1.952 0.025 0.272) 1.971 14.860 ( 1.521 1.101 -6.025) 6.311 15.191 ( 3.486 -6.845 9.829) 12.474 15.554 ( -0.534 -1.837 -4.176) 4.593 15.936 ( -5.434 4.396 2.889) 7.563 16.176 ( -7.938 -12.629 -1.016) 14.951 16.274 ( 0.690 -6.098 -2.282) 6.547 16.518 ( -6.366 1.894 -4.616) 8.089 17.043 ( -3.555 -3.893 -2.566) 5.863 17.338 ( 0.347 5.964 -7.959) 9.952 18.092 ( 7.297 2.850 3.395) 8.538 18.227 ( 1.484 4.415 6.114) 7.687 18.448 ( 7.171 3.176 2.023) 8.099 18.599 ( 17.171 4.705 -5.104) 18.522 20.124 ( 0.247 -0.005 32.843) 32.844 21.528 ( 1.921 4.675 11.097) 12.193 21.717 ( -0.035 -8.421 -7.977) 11.600 22.217 ( -2.214 7.250 -7.098) 10.384 ======================= Grid point 176 (60/125) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 7.431 7.129 0.358) 10.303 2.877 ( -1.825 5.884 -1.942) 6.459 3.353 ( -20.557 17.331 10.058) 28.708 3.688 ( 12.304 -8.283 15.261) 21.281 3.908 ( 6.090 -1.168 14.489) 15.760 4.524 ( -7.718 4.595 17.386) 19.569 5.099 ( 8.871 -3.476 3.403) 10.118 5.675 ( -18.979 8.352 -1.216) 20.771 6.505 ( -1.110 -17.125 -18.625) 25.326 6.682 ( 0.662 -1.718 -5.718) 6.007 7.263 ( -5.271 18.036 11.055) 21.802 7.490 ( 6.754 -12.898 1.795) 14.670 7.838 ( 0.886 -13.116 5.889) 14.404 8.194 ( 3.273 -1.442 3.467) 4.981 8.462 ( 2.679 -4.733 5.566) 7.782 8.797 ( 4.749 -13.154 1.244) 14.040 8.911 ( 1.591 5.371 9.597) 11.112 9.229 ( 1.890 -1.260 7.574) 7.908 10.000 ( -2.469 -5.332 6.895) 9.059 10.422 ( 3.068 2.610 2.718) 4.859 10.692 ( -2.634 1.159 -6.623) 7.221 11.054 ( 0.786 3.170 -10.505) 11.000 11.201 ( -2.351 -6.639 -8.270) 10.863 11.621 ( -1.661 -1.129 1.520) 2.519 11.720 ( 2.810 4.165 -13.915) 14.794 11.825 ( 1.732 5.712 -0.322) 5.977 12.031 ( -4.802 -0.703 -2.850) 5.628 12.271 ( 0.122 -1.667 4.532) 4.830 12.385 ( -9.784 -5.631 -3.503) 11.820 12.587 ( -5.107 -9.661 -4.758) 11.919 12.879 ( 5.950 1.162 -7.690) 9.792 13.103 ( 4.815 -3.806 -5.726) 8.393 13.347 ( -1.472 -1.608 1.117) 2.450 13.586 ( -1.514 -3.133 -1.260) 3.701 13.890 ( 7.531 7.502 -0.807) 10.660 14.281 ( 2.672 7.294 -0.458) 7.781 14.742 ( 3.237 -0.114 -0.027) 3.239 14.855 ( -0.018 0.810 -5.524) 5.583 15.274 ( 0.025 0.859 9.508) 9.547 15.530 ( -4.298 0.158 -6.270) 7.603 15.853 ( -3.387 -2.245 4.000) 5.702 16.165 ( -14.683 -7.069 3.244) 16.616 16.381 ( 0.232 -5.171 -6.791) 8.539 16.410 ( -6.001 -0.089 -2.995) 6.708 17.001 ( -8.722 -1.913 -3.257) 9.505 17.217 ( -3.579 6.352 -10.005) 12.380 18.068 ( 0.605 6.847 2.499) 7.314 18.218 ( 5.276 3.693 7.511) 9.894 18.445 ( 2.704 5.441 -0.784) 6.127 18.743 ( 18.429 9.209 -3.838) 20.956 20.118 ( -0.684 0.191 35.083) 35.090 21.515 ( 3.870 2.550 11.657) 12.544 21.768 ( -6.028 -2.040 -7.785) 10.055 22.166 ( 4.516 0.012 -6.600) 7.997 ======================= Grid point 177 (61/125) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -3.891 20.925 3.034) 21.499 2.636 ( -18.463 20.782 11.007) 29.899 2.980 ( -0.217 -5.565 -1.517) 5.772 3.834 ( 2.320 3.103 18.609) 19.008 4.044 ( 5.291 -3.563 4.579) 7.852 4.342 ( -4.647 4.519 18.103) 19.229 5.294 ( -0.183 3.193 1.951) 3.746 5.386 ( -3.153 -2.288 6.257) 7.371 6.564 ( -7.382 -6.028 -0.386) 9.538 6.751 ( -3.389 -4.268 -7.774) 9.494 7.230 ( 9.055 -9.489 1.714) 13.228 7.703 ( 3.420 -6.732 0.712) 7.585 7.929 ( -1.138 -3.388 3.495) 4.999 8.305 ( 0.853 -7.939 -0.360) 7.993 8.717 ( 12.705 -9.109 5.447) 16.555 8.928 ( 8.039 -0.004 4.005) 8.981 9.050 ( 6.885 -7.297 1.100) 10.093 9.314 ( 4.811 -2.809 7.707) 9.510 10.015 ( -2.911 -1.255 4.982) 5.905 10.398 ( -0.098 3.371 5.054) 6.076 10.676 ( -0.286 -2.904 -6.849) 7.445 11.007 ( -1.258 0.488 -9.561) 9.656 11.263 ( -0.920 -1.004 -10.823) 10.909 11.532 ( -8.845 1.529 3.039) 9.477 11.661 ( 3.666 11.494 -10.411) 15.935 11.816 ( 1.116 -4.009 -1.544) 4.439 11.977 ( -1.392 -0.880 -1.060) 1.959 12.314 ( -0.299 -2.852 1.059) 3.057 12.405 ( -2.926 -7.952 0.659) 8.499 12.662 ( -5.266 -8.955 -7.741) 12.955 12.944 ( 5.629 -0.885 -4.442) 7.225 13.330 ( 10.698 -7.938 -5.648) 14.469 13.349 ( -1.863 -1.763 -2.135) 3.338 13.580 ( -4.994 -1.980 -3.080) 6.193 13.915 ( 12.945 6.982 2.637) 14.942 14.217 ( 2.271 5.135 2.401) 6.106 14.790 ( 3.520 0.715 -0.476) 3.624 14.828 ( -1.033 2.380 -4.800) 5.457 15.175 ( -3.139 6.838 5.537) 9.342 15.425 ( -11.465 0.317 -7.703) 13.816 15.903 ( -1.436 -7.497 6.067) 9.751 16.053 ( -11.953 -4.330 4.502) 13.486 16.340 ( -2.404 1.487 -3.081) 4.181 16.429 ( -4.645 -4.219 -3.713) 7.291 16.877 ( -9.497 1.241 -2.993) 10.035 17.062 ( -6.507 4.735 -11.926) 14.386 17.948 ( -1.320 7.497 1.288) 7.721 18.203 ( 3.261 6.517 8.026) 10.841 18.375 ( 0.659 6.327 -3.919) 7.472 18.805 ( 14.662 12.534 -3.563) 19.615 20.107 ( -0.508 0.062 34.754) 34.758 21.548 ( 3.438 -0.297 14.291) 14.702 21.661 ( -5.659 3.373 -7.125) 9.704 22.295 ( 4.987 -6.274 -5.780) 9.881 ======================= Grid point 178 (62/125) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -4.884 23.583 11.929) 26.876 2.057 ( -18.513 17.654 23.034) 34.423 3.164 ( 3.586 -4.714 3.301) 6.781 3.749 ( 6.686 9.206 17.977) 21.275 4.080 ( -3.773 0.360 -7.609) 8.501 4.285 ( -1.769 -0.584 17.802) 17.899 5.082 ( -5.570 8.450 14.900) 18.012 5.494 ( 1.715 -3.607 -4.199) 5.796 6.588 ( -3.808 -8.375 3.722) 9.925 6.877 ( 2.677 -11.336 -6.472) 13.325 7.507 ( 2.235 -13.185 1.948) 13.514 7.863 ( 9.944 -3.888 -4.517) 11.593 8.028 ( 8.007 -3.521 3.597) 9.458 8.380 ( -11.577 -9.594 -0.757) 15.054 8.932 ( 5.324 -6.444 1.829) 8.556 9.044 ( 5.670 -0.338 6.480) 8.617 9.202 ( 0.828 -1.896 5.146) 5.546 9.465 ( 8.491 -3.809 -2.752) 9.705 9.995 ( 6.401 3.990 2.712) 8.015 10.324 ( -6.619 0.191 5.496) 8.605 10.754 ( 1.522 -4.095 -6.681) 7.983 10.988 ( -4.070 -1.787 -7.961) 9.118 11.188 ( 0.776 10.970 -10.518) 15.218 11.296 ( -6.545 9.590 -11.924) 16.643 11.669 ( 1.879 -5.226 10.800) 12.144 11.887 ( 1.130 -2.676 -2.383) 3.757 12.039 ( 1.576 -5.776 -0.926) 6.059 12.387 ( 3.354 -4.175 1.209) 5.490 12.498 ( 1.726 -5.844 -0.268) 6.099 12.717 ( -7.871 -9.860 -7.917) 14.895 13.063 ( 8.049 -1.839 -2.536) 8.637 13.296 ( -7.733 -1.264 -3.276) 8.493 13.534 ( -2.969 -0.394 -3.596) 4.680 13.570 ( 4.913 -4.688 -7.700) 10.267 14.032 ( 13.009 2.748 5.205) 14.278 14.215 ( 8.837 2.868 4.214) 10.202 14.722 ( -5.060 6.673 -3.549) 9.095 14.768 ( -0.027 7.024 -4.040) 8.103 15.071 ( -1.929 0.723 2.940) 3.590 15.240 ( -12.461 -0.456 -4.485) 13.252 15.983 ( -1.714 -2.931 5.617) 6.563 16.024 ( -4.203 -8.005 5.155) 10.408 16.307 ( 0.907 1.144 -1.345) 1.985 16.392 ( -5.709 -1.519 -1.147) 6.018 16.728 ( -5.882 4.225 -3.681) 8.124 16.906 ( -6.652 3.238 -11.399) 13.589 17.817 ( -1.892 6.432 0.276) 6.711 18.118 ( 1.286 7.970 7.370) 10.931 18.277 ( -0.598 6.448 -7.351) 9.796 18.756 ( 7.684 13.757 -4.516) 16.391 20.102 ( 0.000 0.176 32.208) 32.208 21.541 ( -1.748 4.975 -6.349) 8.253 21.627 ( 1.052 -5.838 18.057) 19.006 22.464 ( 2.863 -8.691 -4.331) 10.124 ======================= Grid point 179 (63/125) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 11.611 27.062) 29.448 1.655 ( 0.000 13.628 30.200) 33.133 3.057 ( 0.000 16.803 36.480) 40.164 3.822 ( -0.000 -4.884 1.404) 5.081 4.011 ( 0.000 0.737 -22.426) 22.438 4.278 ( -0.000 -0.421 19.786) 19.791 4.923 ( 0.000 6.967 19.665) 20.863 5.574 ( -0.000 -5.708 -9.526) 11.105 6.692 ( -0.000 -7.335 3.623) 8.181 7.065 ( -0.000 -8.265 -14.936) 17.070 7.702 ( -0.000 -11.262 3.948) 11.934 7.984 ( 0.000 0.163 -3.539) 3.543 8.182 ( -0.000 -1.027 -4.786) 4.894 8.399 ( -0.000 -14.024 11.442) 18.100 9.049 ( 0.000 5.773 18.024) 18.926 9.104 ( -0.000 -4.075 -1.390) 4.306 9.222 ( -0.000 -8.702 0.857) 8.744 9.519 ( 0.000 0.719 -7.333) 7.368 10.076 ( 0.000 1.031 -1.828) 2.099 10.220 ( 0.000 1.473 4.456) 4.694 10.795 ( 0.000 5.467 -7.258) 9.086 10.870 ( 0.000 17.180 -13.277) 21.713 11.025 ( -0.000 -6.122 -5.767) 8.410 11.205 ( 0.000 4.423 -11.137) 11.983 11.776 ( -0.000 -5.613 10.539) 11.941 11.943 ( -0.000 -3.780 5.231) 6.454 12.146 ( -0.000 -6.483 -2.310) 6.882 12.470 ( -0.000 -4.766 4.700) 6.694 12.677 ( -0.000 -5.669 -5.080) 7.612 12.745 ( -0.000 -5.887 -0.979) 5.968 13.175 ( -0.000 -1.799 -6.253) 6.506 13.239 ( -0.000 -5.107 -2.241) 5.577 13.522 ( -0.000 -0.289 -4.583) 4.592 13.590 ( 0.000 3.858 -6.577) 7.625 14.087 ( 0.000 1.099 7.391) 7.472 14.339 ( -0.000 -1.452 -0.250) 1.473 14.562 ( 0.000 4.853 -3.575) 6.028 14.575 ( 0.000 14.833 -6.977) 16.392 15.069 ( -0.000 -1.977 1.567) 2.523 15.182 ( -0.000 -1.944 3.182) 3.728 16.034 ( 0.000 1.496 2.281) 2.728 16.038 ( -0.000 -3.715 5.244) 6.426 16.324 ( -0.000 -4.129 4.725) 6.275 16.405 ( -0.000 -3.754 -2.097) 4.300 16.584 ( 0.000 7.608 -6.318) 9.889 16.813 ( 0.000 2.592 -6.377) 6.883 17.721 ( 0.000 3.550 -0.711) 3.621 18.014 ( 0.000 6.551 7.261) 9.779 18.175 ( 0.000 5.643 -12.450) 13.669 18.608 ( 0.000 11.694 -5.158) 12.781 20.098 ( 0.000 0.408 28.574) 28.577 21.457 ( 0.000 4.384 -6.883) 8.161 21.763 ( -0.000 -10.382 19.552) 22.138 22.637 ( -0.000 -11.291 -2.981) 11.678 ======================= Grid point 182 (64/125) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 15.591 -0.000 18.505) 24.197 2.296 ( 30.598 -0.000 11.629) 32.734 3.621 ( -1.825 0.000 -12.984) 13.112 3.692 ( -5.685 0.000 -13.343) 14.504 4.128 ( 25.590 -0.000 24.774) 35.617 4.180 ( 0.395 -0.000 12.310) 12.317 5.555 ( -0.915 0.000 -7.915) 7.968 5.747 ( 22.787 -0.000 8.453) 24.304 6.551 ( -20.964 0.000 -3.401) 21.238 6.867 ( 4.384 -0.000 2.506) 5.050 7.257 ( -10.946 0.000 4.192) 11.722 7.362 ( -35.121 0.000 4.810) 35.449 7.834 ( -9.695 0.000 9.438) 13.530 8.011 ( -2.728 0.000 17.439) 17.651 8.480 ( -10.539 0.000 -7.541) 12.959 9.105 ( -8.188 0.000 9.797) 12.768 9.190 ( -17.476 0.000 15.641) 23.453 9.667 ( -9.600 0.000 -0.616) 9.620 9.805 ( -2.854 0.000 -11.838) 12.177 10.317 ( 9.191 -0.000 3.943) 10.001 10.650 ( 10.001 -0.000 -10.489) 14.493 10.774 ( -2.257 0.000 0.865) 2.418 10.899 ( 7.032 -0.000 -14.349) 15.979 11.745 ( 11.938 -0.000 -6.712) 13.695 11.913 ( -5.908 0.000 -1.728) 6.155 11.953 ( 3.081 -0.000 -7.647) 8.244 12.036 ( -8.646 0.000 -2.239) 8.931 12.080 ( -7.140 0.000 2.206) 7.473 12.478 ( 4.132 -0.000 -3.773) 5.596 12.511 ( -17.901 0.000 -4.404) 18.435 12.963 ( -9.888 0.000 0.822) 9.922 13.167 ( -1.969 0.000 1.073) 2.242 13.483 ( -2.750 0.000 1.136) 2.975 13.536 ( -3.750 0.000 0.320) 3.763 14.036 ( -3.117 0.000 -6.493) 7.202 14.547 ( 4.596 -0.000 -1.488) 4.831 14.674 ( 5.532 -0.000 -1.820) 5.823 14.807 ( 10.710 -0.000 10.330) 14.880 15.083 ( 7.318 -0.000 -18.425) 19.825 15.260 ( 0.496 -0.000 1.964) 2.025 15.773 ( -3.257 0.000 3.700) 4.929 16.045 ( -2.317 0.000 -0.783) 2.446 16.387 ( -10.499 0.000 0.124) 10.500 16.541 ( -3.619 0.000 -4.136) 5.496 16.885 ( 8.793 -0.000 3.724) 9.549 17.432 ( 9.151 -0.000 -4.722) 10.298 18.039 ( 8.660 -0.000 1.909) 8.867 18.296 ( 0.476 -0.000 10.660) 10.671 18.397 ( 23.645 -0.000 -4.239) 24.022 18.445 ( 9.889 -0.000 -5.029) 11.095 20.095 ( 1.512 -0.000 24.211) 24.258 21.451 ( 1.263 -0.000 -8.044) 8.143 21.748 ( -4.463 0.000 10.087) 11.030 22.517 ( -6.529 0.000 -6.405) 9.146 ======================= Grid point 183 (65/125) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 13.706 -5.971 10.622) 18.340 2.753 ( 27.877 -4.894 6.504) 29.041 3.494 ( 4.486 9.773 -6.593) 12.614 3.734 ( -2.470 -4.553 -2.589) 5.791 4.142 ( 3.482 6.427 11.373) 13.519 4.456 ( 11.847 -4.940 12.086) 17.630 5.436 ( -5.823 10.055 -2.386) 11.862 5.869 ( -8.201 -2.665 -8.058) 11.802 6.506 ( 3.953 -4.013 6.097) 8.301 6.727 ( -26.371 6.770 0.360) 27.229 6.929 ( 3.945 2.549 9.590) 10.678 7.287 ( -1.118 -7.787 -1.938) 8.102 7.789 ( -11.652 -11.659 9.378) 18.964 8.006 ( 1.536 -2.042 21.983) 22.131 8.369 ( -10.565 -4.932 -3.514) 12.178 8.698 ( -17.988 19.897 16.083) 31.275 9.115 ( -8.061 -5.425 12.628) 15.933 9.465 ( -12.210 4.425 0.890) 13.018 9.801 ( -2.514 -2.666 -6.467) 7.434 10.438 ( 6.592 -1.832 -1.123) 6.934 10.668 ( 2.258 2.695 -10.590) 11.158 10.895 ( 4.274 -5.840 -3.505) 8.041 11.072 ( 11.917 -3.118 -12.562) 17.594 11.702 ( -5.744 8.893 -1.580) 10.704 11.849 ( 1.201 0.616 -5.176) 5.349 11.921 ( -3.186 -0.665 -3.472) 4.759 11.987 ( -1.548 0.679 -8.872) 9.031 12.135 ( -4.698 -10.258 -2.966) 11.666 12.315 ( -9.089 -2.035 -3.836) 10.073 12.489 ( -4.753 1.139 -0.224) 4.893 12.838 ( -1.510 2.204 -3.754) 4.608 13.140 ( -5.375 -2.088 -1.779) 6.035 13.426 ( -4.517 3.389 -1.005) 5.736 13.499 ( 0.975 -0.401 1.264) 1.646 14.010 ( 0.460 0.545 -0.728) 1.019 14.580 ( 4.282 3.491 -1.604) 5.753 14.726 ( 3.772 1.874 0.740) 4.277 14.955 ( 6.571 -5.873 10.251) 13.518 15.042 ( 3.673 10.657 -8.919) 14.374 15.406 ( 1.947 -8.932 -4.925) 10.384 15.790 ( -4.534 -8.522 2.163) 9.892 16.027 ( -3.562 -0.848 -0.803) 3.749 16.196 ( -9.371 2.417 -0.207) 9.680 16.498 ( -7.302 -2.323 -7.607) 10.798 16.985 ( 4.716 -0.267 2.460) 5.325 17.500 ( 4.398 3.423 -5.905) 8.119 18.164 ( 10.711 1.617 4.495) 11.728 18.304 ( 1.276 0.715 11.272) 11.367 18.549 ( 8.278 2.278 -1.969) 8.808 18.721 ( 25.165 2.530 -5.921) 25.975 20.117 ( 0.892 -0.296 24.819) 24.837 21.490 ( -0.796 -4.616 -8.033) 9.299 21.682 ( -0.408 3.499 9.964) 10.568 22.411 ( -3.909 4.085 -6.598) 8.689 ======================= Grid point 184 (66/125) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 11.663 -5.788 5.048) 13.965 3.077 ( 11.483 3.156 -4.145) 12.610 3.517 ( 14.619 2.317 8.373) 17.005 3.715 ( -4.339 3.437 5.704) 7.948 4.056 ( 2.551 9.480 13.214) 16.461 4.559 ( -3.967 -1.211 8.013) 9.022 5.174 ( -6.270 7.638 1.145) 9.948 5.880 ( -7.588 -17.035 -19.357) 26.879 6.055 ( -22.003 15.851 2.461) 27.229 6.810 ( -1.956 2.116 1.703) 3.348 7.039 ( 14.186 -12.238 7.643) 20.234 7.482 ( 8.292 -7.657 3.512) 11.820 7.825 ( -9.399 -11.394 13.022) 19.691 8.010 ( -7.791 16.274 7.933) 19.710 8.280 ( -0.520 -6.031 23.007) 23.790 8.387 ( -4.641 -10.380 2.278) 11.596 9.071 ( -5.439 -0.821 10.977) 12.278 9.229 ( -11.850 3.450 1.988) 12.501 9.831 ( -0.556 -4.512 -1.970) 4.955 10.511 ( 4.978 3.076 -2.628) 6.415 10.698 ( -0.223 -3.368 -11.241) 11.737 11.006 ( 4.395 -1.040 -2.004) 4.941 11.205 ( 4.422 2.260 -13.537) 14.419 11.550 ( -4.081 0.772 -3.315) 5.314 11.812 ( -7.957 -3.629 -7.979) 11.838 11.898 ( -0.944 1.447 -2.146) 2.755 11.959 ( -3.495 -3.124 -3.505) 5.853 12.222 ( 1.367 -3.712 -8.888) 9.728 12.306 ( -2.824 -4.034 -3.301) 5.928 12.347 ( -7.581 2.045 3.475) 8.586 12.877 ( 6.849 -0.737 -9.129) 11.436 13.086 ( -4.384 0.050 -6.095) 7.508 13.314 ( -4.713 1.319 2.414) 5.457 13.535 ( 0.909 -1.603 -0.455) 1.898 14.030 ( 4.933 1.944 2.932) 6.059 14.557 ( 4.685 7.726 -0.136) 9.036 14.742 ( 2.122 0.675 1.694) 2.798 14.935 ( 0.204 5.896 -6.054) 8.453 15.138 ( 4.785 -6.682 8.110) 11.547 15.501 ( -1.651 -3.475 -2.577) 4.631 15.854 ( -9.818 -10.715 2.351) 14.722 15.900 ( -8.897 3.460 0.345) 9.552 16.160 ( -3.452 -6.167 -1.857) 7.307 16.418 ( -6.778 -0.925 -11.780) 13.622 17.011 ( 0.910 2.029 0.809) 2.366 17.451 ( 0.883 7.329 -6.946) 10.136 18.240 ( 4.663 4.357 6.476) 9.092 18.323 ( 6.700 2.490 8.676) 11.241 18.597 ( 5.432 3.803 0.148) 6.633 18.993 ( 24.173 6.352 -6.544) 25.836 20.118 ( -1.276 -0.163 27.318) 27.349 21.557 ( -4.406 -8.172 -7.949) 12.222 21.643 ( 3.864 4.584 10.214) 11.843 22.304 ( -0.118 5.748 -6.145) 8.415 ======================= Grid point 185 (67/125) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 11.689 -0.313 -0.141) 11.694 2.997 ( 0.016 12.517 -3.326) 12.952 3.338 ( -19.463 18.502 4.829) 27.285 3.797 ( 14.376 -2.079 13.107) 19.565 3.999 ( 4.198 3.090 12.301) 13.360 4.432 ( -11.512 0.659 9.684) 15.058 5.167 ( 7.856 -4.255 2.111) 9.180 5.612 ( -11.678 11.780 5.110) 17.357 6.126 ( -5.741 -22.363 -17.654) 29.064 6.723 ( 0.986 3.904 1.592) 4.330 7.284 ( -9.275 -3.185 6.832) 11.952 7.589 ( 5.396 7.152 9.239) 12.870 7.677 ( -0.453 0.162 1.819) 1.881 7.977 ( -1.810 -17.206 20.834) 27.081 8.516 ( 9.063 -9.108 6.495) 14.397 8.629 ( 5.631 -17.489 4.487) 18.913 8.996 ( -1.217 2.424 1.928) 3.328 9.129 ( -5.442 -7.204 11.090) 14.300 9.905 ( 1.352 -3.237 -2.479) 4.296 10.496 ( -0.633 3.112 -1.869) 3.685 10.701 ( -0.222 2.112 -5.655) 6.040 11.073 ( -0.750 -2.430 -5.159) 5.751 11.147 ( 0.171 3.031 -8.972) 9.471 11.570 ( -1.042 -2.600 -5.115) 5.832 11.707 ( -7.052 0.161 -9.602) 11.914 11.898 ( -2.576 -2.018 -5.419) 6.330 11.956 ( -2.647 -2.020 -0.848) 3.436 12.231 ( -2.245 -1.512 3.257) 4.235 12.279 ( 2.587 3.199 -12.669) 13.320 12.380 ( -2.316 -7.991 0.053) 8.320 12.950 ( 0.824 1.282 -10.751) 10.858 13.109 ( 6.232 -5.637 -6.856) 10.845 13.276 ( -3.084 -2.586 3.395) 5.265 13.557 ( -0.569 -0.774 -1.639) 1.900 14.080 ( 8.404 3.482 5.029) 10.394 14.480 ( 5.120 10.248 2.690) 11.767 14.772 ( 1.955 -0.992 1.129) 2.466 14.877 ( -0.020 2.224 -5.151) 5.611 15.248 ( -2.148 -3.401 5.487) 6.803 15.458 ( -7.677 0.981 -3.259) 8.398 15.766 ( -5.898 -0.523 2.224) 6.325 15.839 ( -11.472 -8.041 4.836) 14.820 16.201 ( -5.761 -6.736 -2.112) 9.112 16.378 ( -1.678 -1.610 -13.310) 13.511 16.952 ( -1.818 4.553 -0.513) 4.930 17.314 ( -1.182 9.829 -8.196) 12.853 18.181 ( 0.505 6.715 4.332) 8.007 18.375 ( 7.404 4.845 8.999) 12.620 18.579 ( 2.883 5.996 -0.166) 6.655 19.169 ( 19.518 10.314 -6.992) 23.157 20.098 ( -1.975 -0.588 30.632) 30.701 21.587 ( -6.210 -4.778 -3.848) 8.729 21.646 ( 3.638 2.161 7.678) 8.767 22.255 ( 3.552 3.376 -5.620) 7.456 ======================= Grid point 186 (68/125) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 1.382 22.925 0.268) 22.968 2.717 ( -17.476 25.168 8.156) 31.707 2.949 ( 5.893 -5.129 -3.335) 8.495 3.923 ( 4.608 1.428 12.047) 12.977 4.036 ( -1.385 -1.995 -2.754) 3.672 4.321 ( -2.350 0.541 20.688) 20.828 5.314 ( -4.507 1.660 5.052) 6.971 5.426 ( 8.831 2.435 6.738) 11.372 6.282 ( -9.556 -13.121 -2.379) 16.405 6.753 ( 4.831 1.728 -3.729) 6.343 7.138 ( -4.998 -6.100 7.459) 10.855 7.667 ( -8.329 -9.504 2.615) 12.905 7.702 ( 6.590 -3.049 4.546) 8.567 8.221 ( 1.598 -12.360 15.828) 20.146 8.755 ( 6.595 -5.486 3.807) 9.386 8.944 ( 3.996 -12.373 0.048) 13.003 9.025 ( 2.852 -4.763 2.319) 6.016 9.281 ( 5.510 -10.568 7.017) 13.830 9.954 ( 1.237 -2.389 -2.727) 3.831 10.376 ( -8.545 4.114 -2.252) 9.748 10.678 ( 1.543 1.413 0.187) 2.101 11.047 ( 1.439 0.342 -10.838) 10.938 11.222 ( 2.951 -3.567 -3.715) 5.935 11.424 ( -10.573 4.479 -0.126) 11.483 11.753 ( 0.579 -5.994 -7.488) 9.609 11.862 ( 0.632 6.177 -12.042) 13.549 11.953 ( -0.360 -1.090 -1.605) 1.973 12.251 ( -0.893 -1.075 -8.389) 8.504 12.273 ( -0.943 -5.285 1.042) 5.469 12.473 ( -1.962 -6.989 -0.802) 7.303 12.962 ( 1.359 -2.580 -7.333) 7.892 13.274 ( -2.247 -2.601 2.017) 3.985 13.342 ( 7.154 -8.567 -9.155) 14.435 13.542 ( -1.317 0.854 -1.884) 2.452 14.140 ( 7.166 3.504 7.713) 11.096 14.430 ( 11.414 9.459 3.967) 15.345 14.821 ( 1.657 -1.343 0.742) 2.258 14.842 ( -1.652 2.022 -4.739) 5.411 15.133 ( -16.131 0.017 -0.329) 16.134 15.310 ( -4.584 5.687 -2.697) 7.786 15.770 ( -1.961 -6.483 5.774) 8.900 15.834 ( -5.137 -6.334 5.156) 9.648 16.219 ( -4.436 -5.403 -2.456) 7.410 16.393 ( -0.369 -1.176 -10.063) 10.138 16.838 ( -2.755 5.559 -1.481) 6.379 17.137 ( -1.679 10.415 -9.935) 14.491 18.065 ( -0.202 8.403 2.270) 8.707 18.358 ( 3.446 7.261 9.580) 12.505 18.499 ( 0.986 7.519 -2.524) 7.993 19.195 ( 10.805 13.771 -7.422) 19.013 20.090 ( -0.886 -0.992 33.101) 33.127 21.559 ( -3.837 -1.512 0.990) 4.241 21.651 ( 1.567 2.272 6.024) 6.626 22.291 ( 3.070 -1.637 -5.385) 6.411 ======================= Grid point 187 (69/125) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 27.561 4.541) 27.932 2.219 ( 0.000 22.381 17.673) 28.517 3.112 ( -0.000 -7.445 -3.179) 8.095 3.942 ( 0.000 4.504 21.460) 21.927 4.003 ( -0.000 -1.097 -19.964) 19.995 4.293 ( 0.000 2.481 26.981) 27.095 5.185 ( 0.000 8.217 11.576) 14.196 5.482 ( 0.000 0.059 0.685) 0.688 6.396 ( -0.000 -11.576 4.159) 12.301 6.776 ( -0.000 -3.555 -3.004) 4.654 7.311 ( -0.000 -14.269 2.703) 14.523 7.814 ( -0.000 -17.983 4.361) 18.504 7.825 ( -0.000 -7.036 1.117) 7.124 8.346 ( -0.000 -0.475 3.166) 3.201 8.870 ( -0.000 -5.208 4.230) 6.709 9.055 ( -0.000 -2.261 0.944) 2.450 9.157 ( -0.000 -5.762 3.846) 6.928 9.471 ( -0.000 -5.687 -2.720) 6.304 10.087 ( -0.000 -10.485 5.427) 11.807 10.196 ( 0.000 6.464 -1.456) 6.626 10.707 ( -0.000 -3.275 -1.324) 3.533 11.018 ( 0.000 7.221 -9.691) 12.085 11.248 ( -0.000 -0.635 -11.562) 11.579 11.343 ( -0.000 -0.275 5.943) 5.949 11.713 ( 0.000 9.681 -4.386) 10.628 11.843 ( -0.000 -3.956 -9.173) 9.990 11.985 ( -0.000 -2.940 -1.561) 3.329 12.342 ( -0.000 -5.113 3.231) 6.048 12.363 ( -0.000 -12.762 -8.102) 15.117 12.531 ( -0.000 -3.843 -3.467) 5.175 13.050 ( -0.000 -6.053 -5.233) 8.001 13.260 ( 0.000 1.524 0.420) 1.581 13.511 ( 0.000 0.884 -1.751) 1.961 13.527 ( -0.000 -7.475 -9.497) 12.086 14.142 ( 0.000 2.616 9.429) 9.785 14.451 ( 0.000 7.689 3.670) 8.520 14.715 ( 0.000 5.072 -4.541) 6.807 14.850 ( 0.000 1.240 -1.441) 1.901 15.011 ( -0.000 -1.882 -0.765) 2.031 15.185 ( 0.000 5.064 -2.665) 5.723 15.876 ( -0.000 -8.275 7.071) 10.885 15.889 ( -0.000 -5.657 4.967) 7.528 16.265 ( -0.000 -5.081 -2.378) 5.610 16.382 ( 0.000 2.643 -5.167) 5.804 16.741 ( 0.000 3.542 -2.304) 4.226 16.970 ( 0.000 9.161 -12.006) 15.101 17.929 ( 0.000 8.882 1.121) 8.953 18.256 ( 0.000 8.547 9.041) 12.441 18.388 ( 0.000 7.754 -5.186) 9.329 19.043 ( 0.000 15.396 -7.183) 16.989 20.098 ( -0.000 -0.597 33.735) 33.740 21.550 ( -0.000 -0.982 1.652) 1.922 21.620 ( 0.000 2.721 8.812) 9.223 22.372 ( -0.000 -5.850 -4.940) 7.657 ======================= Grid point 192 (70/125) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 13.236 -0.000 8.264) 15.604 3.085 ( 22.910 -0.000 0.338) 22.912 3.666 ( 7.876 -0.000 0.963) 7.935 3.696 ( 3.731 -0.000 0.537) 3.770 4.244 ( 3.664 -0.000 11.403) 11.977 4.516 ( 0.733 -0.000 3.623) 3.697 5.411 ( -11.300 0.000 -9.473) 14.745 5.561 ( -22.773 0.000 -10.769) 25.191 6.440 ( -26.655 0.000 8.721) 28.045 6.604 ( 11.831 -0.000 5.880) 13.212 7.131 ( 14.032 -0.000 12.894) 19.056 7.179 ( 4.788 -0.000 5.017) 6.935 7.563 ( -8.967 0.000 6.822) 11.267 7.998 ( 1.797 -0.000 26.864) 26.924 8.171 ( -11.413 0.000 -1.867) 11.565 8.746 ( -13.189 0.000 9.415) 16.204 8.870 ( -6.257 0.000 16.584) 17.725 9.278 ( -16.565 0.000 4.980) 17.298 9.761 ( -1.794 0.000 -9.410) 9.580 10.462 ( 3.802 -0.000 -3.947) 5.480 10.778 ( 0.776 -0.000 -16.789) 16.807 10.912 ( 8.680 -0.000 4.485) 9.770 11.251 ( 14.581 -0.000 -15.551) 21.318 11.667 ( -14.621 0.000 -5.411) 15.590 11.725 ( -16.553 0.000 -5.551) 17.459 11.836 ( -3.330 0.000 -2.524) 4.178 11.875 ( -0.877 0.000 -6.479) 6.538 12.157 ( 3.612 -0.000 -2.280) 4.272 12.277 ( 7.545 -0.000 -10.773) 13.152 12.411 ( -9.377 0.000 5.085) 10.667 12.871 ( 4.312 -0.000 -8.137) 9.209 13.050 ( -4.827 0.000 -2.333) 5.361 13.406 ( -5.344 0.000 -2.898) 6.079 13.474 ( -1.196 0.000 -0.488) 1.292 14.044 ( 4.864 -0.000 6.225) 7.900 14.652 ( 3.240 -0.000 0.013) 3.240 14.816 ( 3.986 -0.000 -0.362) 4.002 14.940 ( 2.818 -0.000 5.754) 6.407 15.209 ( -4.769 0.000 2.100) 5.211 15.324 ( 5.490 -0.000 -8.571) 10.179 15.669 ( -4.141 0.000 4.336) 5.995 15.955 ( -8.448 0.000 -1.012) 8.508 16.066 ( -7.257 0.000 -1.953) 7.515 16.399 ( -5.227 0.000 -10.892) 12.082 17.053 ( 4.214 -0.000 1.257) 4.398 17.577 ( 2.618 -0.000 -6.882) 7.363 18.336 ( 2.338 -0.000 13.285) 13.490 18.337 ( 11.951 -0.000 7.373) 14.042 18.655 ( 5.159 -0.000 -0.659) 5.201 19.094 ( 25.309 -0.000 -7.486) 26.393 20.114 ( -1.259 0.000 22.011) 22.047 21.412 ( -4.928 0.000 -8.297) 9.650 21.724 ( 2.918 -0.000 9.495) 9.933 22.405 ( -1.532 0.000 -5.828) 6.026 ======================= Grid point 193 (71/125) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 11.783 -4.208 5.660) 13.732 3.284 ( 9.170 3.919 -7.655) 12.572 3.682 ( -1.508 5.303 3.218) 6.384 3.825 ( 14.841 1.808 12.687) 19.608 4.228 ( 2.444 7.931 11.256) 13.985 4.430 ( -12.932 -0.501 3.279) 13.351 5.168 ( -6.453 5.333 -7.107) 10.981 5.500 ( -7.968 -16.237 -15.854) 24.052 6.023 ( -17.295 12.185 9.098) 23.029 6.763 ( 1.003 -5.327 0.899) 5.494 7.150 ( 6.776 4.562 12.869) 15.243 7.468 ( 8.198 -10.403 13.263) 18.744 7.507 ( -7.934 -6.867 6.495) 12.341 8.094 ( -7.158 -6.221 2.880) 9.911 8.127 ( 6.320 -9.903 24.140) 26.847 8.399 ( -0.230 18.766 9.377) 20.979 8.916 ( -6.439 -7.347 12.591) 15.936 9.063 ( -14.094 0.178 5.324) 15.067 9.776 ( 0.566 -4.909 -6.845) 8.443 10.552 ( 4.220 -2.436 -5.187) 7.116 10.709 ( -1.928 4.340 -12.422) 13.299 11.042 ( 2.307 -2.617 -0.698) 3.557 11.330 ( -0.133 7.143 -12.016) 13.979 11.463 ( -8.086 -1.212 -5.831) 10.043 11.611 ( -4.914 -6.014 -10.493) 13.055 11.829 ( -2.506 -1.403 -4.444) 5.292 11.874 ( -1.386 -2.294 -4.732) 5.438 12.200 ( 1.797 -1.143 1.732) 2.745 12.265 ( -8.569 0.821 6.346) 10.695 12.408 ( 11.372 2.221 -16.213) 19.928 12.953 ( 5.620 -0.845 -11.121) 12.489 13.004 ( -4.026 -1.936 -5.008) 6.711 13.282 ( -6.028 3.076 0.456) 6.783 13.493 ( -0.997 -3.010 -1.570) 3.538 14.136 ( 8.303 0.482 9.320) 12.491 14.685 ( 3.180 1.336 0.617) 3.504 14.808 ( 2.074 4.599 2.186) 5.498 14.981 ( -1.684 1.860 -2.345) 3.434 15.115 ( -2.028 -1.955 4.211) 5.066 15.396 ( -3.773 -3.886 -1.120) 5.531 15.646 ( -4.074 -3.533 4.909) 7.292 15.805 ( -9.376 1.157 -0.921) 9.492 16.041 ( -2.282 -3.039 -2.536) 4.569 16.344 ( -2.955 -0.335 -14.704) 15.002 17.080 ( 2.378 2.654 -0.183) 3.568 17.563 ( 0.984 5.013 -7.674) 9.219 18.340 ( 2.023 3.429 11.448) 12.120 18.480 ( 9.943 1.700 9.834) 14.088 18.698 ( 3.219 1.710 1.144) 3.821 19.388 ( 21.304 3.723 -8.635) 23.287 20.083 ( -3.216 -0.217 22.015) 22.250 21.366 ( -7.492 -5.375 -8.104) 12.276 21.759 ( 4.692 2.534 9.559) 10.946 22.376 ( 0.713 2.842 -4.895) 5.705 ======================= Grid point 194 (72/125) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 7.818 -5.409 1.377) 9.606 3.235 ( 3.442 13.425 -6.062) 15.127 3.404 ( -11.273 17.074 1.370) 20.506 3.971 ( 7.997 2.456 5.871) 10.220 4.097 ( -1.818 6.998 9.750) 12.139 4.294 ( -4.809 -0.493 13.836) 14.657 5.179 ( 4.920 -4.667 -3.123) 7.466 5.675 ( -6.580 9.865 9.328) 15.087 5.727 ( -3.708 -20.223 -12.580) 24.103 6.802 ( 3.829 0.908 1.035) 4.069 7.106 ( -9.897 0.302 10.833) 14.676 7.484 ( -5.677 -3.606 2.983) 7.358 7.739 ( 3.082 -14.720 20.947) 25.786 7.982 ( 2.881 14.254 6.253) 15.830 8.413 ( 8.599 -12.137 10.866) 18.421 8.453 ( 4.839 -14.991 13.219) 20.564 8.897 ( -8.836 -3.568 3.027) 9.998 8.951 ( -4.247 -7.222 12.385) 14.952 9.915 ( 5.287 -5.335 -8.329) 11.216 10.516 ( -4.341 5.349 -7.123) 9.910 10.724 ( 4.515 -1.746 -6.166) 7.839 10.987 ( -10.049 0.092 -7.748) 12.690 11.212 ( 0.435 3.385 2.903) 4.480 11.504 ( 0.534 -7.528 -11.143) 13.458 11.631 ( -1.743 2.527 -17.887) 18.149 11.781 ( -4.028 -1.988 -3.924) 5.964 11.923 ( 0.984 -2.252 -0.970) 2.642 12.173 ( -2.966 -1.480 5.152) 6.127 12.271 ( 0.423 -4.640 3.638) 5.911 12.471 ( 7.306 7.835 -20.535) 23.162 12.932 ( -4.143 -0.067 -8.909) 9.825 13.100 ( 5.021 -5.673 -9.547) 12.188 13.207 ( -2.634 -1.219 4.443) 5.307 13.522 ( -0.823 -2.317 -2.137) 3.257 14.231 ( 7.349 2.090 10.936) 13.341 14.691 ( 5.752 5.662 2.598) 8.479 14.774 ( 0.416 0.500 2.432) 2.517 14.913 ( -0.315 2.554 -4.263) 4.980 15.094 ( -11.750 -2.351 -0.486) 11.993 15.377 ( -2.402 -1.868 4.324) 5.288 15.662 ( -2.212 -4.250 5.051) 6.961 15.692 ( -4.621 0.834 -0.261) 4.703 16.067 ( -1.970 -4.008 -2.873) 5.310 16.333 ( -0.863 -1.478 -15.645) 15.738 17.035 ( 0.617 5.763 -0.939) 5.872 17.458 ( -0.048 9.283 -8.112) 12.327 18.285 ( 0.653 5.948 7.777) 9.813 18.541 ( 5.608 4.447 10.802) 12.958 18.687 ( 1.430 4.104 1.314) 4.540 19.536 ( 12.554 7.989 -9.334) 17.566 20.051 ( -2.319 -1.164 24.991) 25.125 21.378 ( -5.910 -8.243 -7.009) 12.329 21.765 ( 3.280 4.119 10.108) 11.397 22.344 ( 1.616 3.331 -4.502) 5.829 ======================= Grid point 195 (73/125) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.000 -2.231 -3.530) 4.176 2.947 ( 0.000 24.042 7.216) 25.101 3.029 ( 0.000 18.272 -5.878) 19.194 3.983 ( 0.000 0.452 -13.716) 13.723 4.005 ( 0.000 3.419 18.987) 19.292 4.299 ( -0.000 -1.867 21.768) 21.848 5.284 ( -0.000 -2.586 0.427) 2.621 5.549 ( 0.000 4.362 9.652) 10.592 5.975 ( -0.000 -17.167 -5.358) 17.984 6.873 ( 0.000 2.758 -5.697) 6.329 6.966 ( -0.000 -3.143 14.546) 14.882 7.499 ( -0.000 -4.673 1.723) 4.981 7.812 ( 0.000 10.139 7.488) 12.605 8.000 ( -0.000 -16.455 21.260) 26.884 8.685 ( -0.000 -10.246 5.142) 11.463 8.736 ( -0.000 -18.877 7.725) 20.397 8.904 ( -0.000 -6.874 6.324) 9.341 9.125 ( -0.000 -15.018 8.330) 17.173 9.987 ( 0.000 1.769 -11.483) 11.619 10.383 ( 0.000 5.645 -5.776) 8.077 10.740 ( 0.000 4.443 1.296) 4.628 10.962 ( -0.000 -7.604 -12.643) 14.753 11.224 ( -0.000 -2.284 10.182) 10.435 11.477 ( 0.000 11.323 -17.784) 21.083 11.644 ( -0.000 -8.609 -11.777) 14.588 11.826 ( -0.000 -5.773 -3.645) 6.828 11.944 ( -0.000 -0.290 -2.523) 2.539 12.200 ( -0.000 -3.586 4.435) 5.703 12.359 ( 0.000 11.336 -20.859) 23.740 12.364 ( -0.000 -6.676 3.429) 7.506 12.924 ( -0.000 -2.316 -7.603) 7.947 13.219 ( -0.000 -2.579 4.519) 5.203 13.256 ( -0.000 -8.668 -10.760) 13.817 13.538 ( -0.000 -0.503 -2.202) 2.259 14.240 ( 0.000 3.406 11.752) 12.235 14.681 ( 0.000 6.263 4.164) 7.520 14.798 ( -0.000 -2.329 1.115) 2.582 14.872 ( 0.000 5.076 -4.329) 6.671 14.956 ( -0.000 -1.349 -2.747) 3.060 15.365 ( 0.000 2.925 2.014) 3.551 15.674 ( -0.000 -3.286 2.813) 4.325 15.718 ( -0.000 -5.109 4.911) 7.087 16.115 ( -0.000 -4.497 -2.835) 5.316 16.358 ( -0.000 -2.376 -13.610) 13.815 16.932 ( 0.000 7.605 -1.113) 7.686 17.296 ( 0.000 11.241 -8.711) 14.221 18.186 ( 0.000 7.439 4.436) 8.661 18.494 ( 0.000 6.624 10.827) 12.692 18.614 ( 0.000 6.458 -0.613) 6.487 19.471 ( 0.000 11.784 -9.192) 14.945 20.060 ( -0.000 -1.743 29.331) 29.382 21.455 ( -0.000 -6.827 -5.161) 8.558 21.722 ( 0.000 4.258 10.612) 11.434 22.316 ( 0.000 1.841 -4.833) 5.172 ======================= Grid point 202 (74/125) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 8.226 -0.000 5.109) 9.684 3.410 ( 4.743 -0.000 -9.444) 10.569 3.694 ( -3.575 0.000 3.115) 4.741 4.032 ( 9.315 -0.000 10.611) 14.119 4.221 ( -11.445 0.000 6.898) 13.363 4.346 ( 2.879 -0.000 12.543) 12.869 5.190 ( -4.250 0.000 -8.811) 9.782 5.264 ( 2.338 -0.000 -14.469) 14.656 5.893 ( -14.371 0.000 10.386) 17.731 6.735 ( 1.496 -0.000 -1.638) 2.218 7.271 ( -1.646 0.000 5.565) 5.804 7.330 ( -1.885 0.000 15.956) 16.067 7.504 ( 4.648 -0.000 16.662) 17.298 7.930 ( -5.274 0.000 5.057) 7.306 8.141 ( 6.536 -0.000 24.777) 25.625 8.616 ( 3.084 -0.000 3.510) 4.672 8.773 ( -2.104 0.000 12.767) 12.940 8.908 ( -8.006 0.000 7.159) 10.741 9.698 ( -2.306 0.000 -5.314) 5.792 10.636 ( 9.767 -0.000 -5.542) 11.230 10.687 ( -5.536 0.000 -12.483) 13.656 10.983 ( -8.696 0.000 -9.047) 12.548 11.301 ( -5.312 0.000 3.654) 6.447 11.357 ( -4.229 0.000 -10.224) 11.064 11.635 ( 8.910 -0.000 -16.412) 18.675 11.810 ( -3.937 0.000 -12.242) 12.860 11.848 ( 3.315 -0.000 1.977) 3.860 12.147 ( -7.989 0.000 7.181) 10.741 12.224 ( 1.774 -0.000 2.059) 2.718 12.585 ( 10.780 -0.000 -19.723) 22.477 12.925 ( -5.039 0.000 -6.621) 8.321 13.014 ( 3.811 -0.000 -11.918) 12.513 13.221 ( -5.529 0.000 2.511) 6.072 13.457 ( -0.234 0.000 -1.304) 1.325 14.261 ( 8.488 -0.000 11.930) 14.642 14.717 ( 1.352 -0.000 1.889) 2.323 14.869 ( -0.630 0.000 3.741) 3.794 14.989 ( -8.332 0.000 -0.893) 8.380 15.005 ( 1.680 -0.000 -2.473) 2.990 15.327 ( -2.952 0.000 4.279) 5.198 15.594 ( -1.001 0.000 5.085) 5.182 15.714 ( -4.624 0.000 -1.108) 4.755 16.001 ( -0.747 0.000 -2.955) 3.048 16.316 ( -1.005 0.000 -16.867) 16.897 17.129 ( 1.423 -0.000 -1.336) 1.952 17.614 ( 0.499 -0.000 -8.493) 8.508 18.394 ( 1.354 -0.000 13.469) 13.537 18.611 ( 6.391 -0.000 11.367) 13.040 18.741 ( 1.456 -0.000 2.192) 2.631 19.659 ( 13.269 -0.000 -9.999) 16.615 20.035 ( -2.927 0.000 19.233) 19.454 21.222 ( -6.379 0.000 -8.048) 10.269 21.835 ( 3.257 -0.000 9.242) 9.799 22.406 ( 0.651 -0.000 -3.977) 4.030 ======================= Grid point 203 (75/125) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -0.000 -3.539 3.183) 4.760 3.412 ( 0.000 4.626 -9.598) 10.655 3.559 ( 0.000 13.051 2.941) 13.378 4.031 ( 0.000 1.854 -7.333) 7.564 4.169 ( 0.000 2.639 23.296) 23.445 4.321 ( 0.000 4.713 14.709) 15.446 5.164 ( -0.000 -1.725 -7.098) 7.304 5.429 ( -0.000 -14.866 -13.430) 20.034 5.732 ( 0.000 5.761 11.154) 12.554 6.788 ( -0.000 -4.727 -4.058) 6.230 7.131 ( 0.000 9.974 14.289) 17.426 7.386 ( -0.000 -4.561 5.969) 7.513 7.596 ( -0.000 -7.513 21.379) 22.661 7.971 ( -0.000 -8.424 4.900) 9.746 8.282 ( -0.000 -10.919 20.306) 23.056 8.603 ( 0.000 15.645 13.176) 20.454 8.705 ( -0.000 -7.141 2.013) 7.419 8.859 ( -0.000 -0.999 9.581) 9.633 9.801 ( -0.000 -12.409 -5.970) 13.770 10.578 ( 0.000 6.540 -9.399) 11.451 10.789 ( -0.000 -2.006 -2.324) 3.070 10.851 ( 0.000 0.078 -15.372) 15.372 11.248 ( 0.000 2.345 5.122) 5.633 11.390 ( -0.000 -6.448 -10.361) 12.203 11.715 ( 0.000 3.670 -26.452) 26.705 11.729 ( 0.000 0.391 -1.632) 1.678 11.903 ( -0.000 -2.212 1.093) 2.468 12.105 ( -0.000 -2.634 6.668) 7.169 12.240 ( -0.000 -0.738 3.025) 3.114 12.640 ( 0.000 4.945 -24.266) 24.765 12.880 ( -0.000 -0.785 -5.693) 5.747 13.066 ( -0.000 -3.255 -12.164) 12.592 13.176 ( 0.000 0.226 5.860) 5.864 13.477 ( -0.000 -2.471 -1.779) 3.045 14.319 ( 0.000 1.424 12.910) 12.989 14.734 ( -0.000 -0.858 2.252) 2.410 14.830 ( 0.000 2.412 5.748) 6.233 14.934 ( -0.000 -0.113 -3.866) 3.867 14.997 ( 0.000 2.535 -4.420) 5.095 15.324 ( -0.000 -2.576 6.905) 7.370 15.604 ( -0.000 -2.069 4.997) 5.408 15.676 ( 0.000 0.955 -1.008) 1.389 16.011 ( -0.000 -1.949 -3.080) 3.645 16.313 ( -0.000 -0.475 -17.185) 17.192 17.113 ( 0.000 3.374 -1.563) 3.718 17.574 ( 0.000 5.512 -8.533) 10.158 18.370 ( 0.000 4.064 11.563) 12.257 18.637 ( 0.000 2.478 11.858) 12.114 18.740 ( 0.000 1.597 2.396) 2.879 19.721 ( 0.000 4.278 -10.359) 11.207 20.018 ( -0.000 -0.643 20.439) 20.449 21.221 ( -0.000 -5.794 -7.501) 9.479 21.840 ( 0.000 2.463 9.449) 9.765 22.395 ( 0.000 1.992 -3.828) 4.315 ======================= Grid point 243 (76/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 0.000 35.708) 35.708 2.169 ( 0.000 0.000 36.290) 36.290 3.297 ( 0.000 0.000 -4.813) 4.813 3.468 ( 0.000 0.000 -30.319) 30.319 4.036 ( 0.000 0.000 26.565) 26.565 4.544 ( 0.000 0.000 8.898) 8.898 5.343 ( 0.000 0.000 30.833) 30.833 5.563 ( 0.000 0.000 1.607) 1.607 6.487 ( 0.000 0.000 -34.147) 34.147 6.559 ( 0.000 0.000 -25.020) 25.020 8.145 ( 0.000 0.000 -3.079) 3.079 8.150 ( 0.000 0.000 1.943) 1.943 8.300 ( 0.000 0.000 30.399) 30.399 8.877 ( 0.000 0.000 13.527) 13.527 9.087 ( 0.000 0.000 3.029) 3.029 9.325 ( 0.000 0.000 -6.771) 6.771 9.462 ( 0.000 0.000 29.612) 29.612 9.571 ( 0.000 0.000 -10.976) 10.976 9.750 ( 0.000 0.000 -23.218) 23.218 10.155 ( 0.000 0.000 -4.318) 4.318 10.254 ( 0.000 0.000 6.900) 6.900 10.604 ( 0.000 0.000 -11.347) 11.347 10.880 ( 0.000 0.000 -6.962) 6.962 11.004 ( 0.000 0.000 -10.020) 10.020 11.885 ( 0.000 0.000 3.406) 3.406 12.106 ( 0.000 0.000 -7.255) 7.255 12.461 ( 0.000 0.000 18.756) 18.756 12.748 ( 0.000 0.000 4.779) 4.779 12.762 ( 0.000 0.000 0.938) 0.938 12.845 ( 0.000 0.000 5.963) 5.963 13.154 ( 0.000 0.000 -10.592) 10.592 13.290 ( 0.000 0.000 -9.892) 9.892 13.347 ( 0.000 0.000 0.908) 0.908 13.377 ( 0.000 0.000 -4.033) 4.033 14.168 ( 0.000 0.000 -0.182) 0.182 14.204 ( 0.000 0.000 6.642) 6.642 14.307 ( 0.000 0.000 -6.007) 6.007 14.416 ( 0.000 0.000 -3.734) 3.734 15.161 ( 0.000 0.000 3.201) 3.201 15.270 ( 0.000 0.000 -0.260) 0.260 16.050 ( 0.000 0.000 6.114) 6.114 16.212 ( 0.000 0.000 5.994) 5.994 16.309 ( 0.000 0.000 -5.825) 5.825 16.412 ( 0.000 0.000 -3.712) 3.712 16.565 ( 0.000 0.000 3.623) 3.623 16.716 ( 0.000 0.000 -1.875) 1.875 17.660 ( 0.000 0.000 -1.044) 1.044 17.784 ( 0.000 0.000 -10.338) 10.338 18.044 ( 0.000 0.000 7.424) 7.424 18.315 ( 0.000 0.000 -5.886) 5.886 20.530 ( 0.000 0.000 20.920) 20.920 21.191 ( 0.000 0.000 -12.230) 12.230 22.236 ( 0.000 0.000 13.551) 13.551 22.736 ( 0.000 0.000 -10.818) 10.818 ======================= Grid point 244 (77/125) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -4.119 4.347 34.057) 34.580 2.276 ( 7.595 -7.927 33.696) 35.439 3.253 ( -4.047 7.381 -17.642) 19.547 3.491 ( 2.372 -4.538 -24.584) 25.112 4.120 ( 5.669 -5.584 29.864) 30.906 4.543 ( -1.369 -1.127 8.765) 8.942 5.391 ( 4.902 -0.266 27.341) 27.778 5.548 ( -0.937 -1.565 6.729) 6.972 6.514 ( -1.980 -0.755 -28.384) 28.463 6.560 ( 1.672 -2.461 -27.291) 27.453 7.991 ( -9.218 11.454 2.232) 14.871 8.082 ( -5.373 8.088 2.246) 9.966 8.261 ( 4.738 6.933 23.602) 25.051 8.795 ( -4.526 4.060 8.855) 10.742 9.072 ( -4.066 0.314 -1.066) 4.215 9.106 ( -22.898 -3.286 3.670) 23.422 9.386 ( 2.835 7.978 -2.108) 8.725 9.689 ( 12.791 -0.525 9.369) 15.864 9.843 ( -2.510 -0.768 -6.894) 7.376 10.255 ( 6.438 -6.410 -2.096) 9.324 10.361 ( -0.934 -16.650 0.026) 16.676 10.605 ( -1.994 -1.448 -10.766) 11.044 10.890 ( -1.668 -2.853 -8.448) 9.072 11.002 ( 5.794 5.223 -11.887) 14.218 11.889 ( 0.401 -0.086 3.314) 3.339 12.084 ( -1.787 2.464 -5.213) 6.037 12.327 ( -5.933 10.223 12.950) 17.534 12.569 ( -14.636 5.442 0.453) 15.622 12.648 ( -6.304 -1.537 5.333) 8.399 12.860 ( 0.417 3.991 -1.452) 4.268 13.141 ( 2.554 3.986 2.516) 5.361 13.321 ( 0.966 0.130 -0.939) 1.353 13.386 ( 4.713 0.881 -5.579) 7.357 13.487 ( 10.826 0.038 -9.349) 14.304 14.074 ( -11.008 -2.018 2.163) 11.399 14.196 ( -12.271 -0.346 -4.214) 12.979 14.359 ( 7.426 -7.247 1.421) 10.473 14.496 ( 5.311 -4.183 -3.888) 7.799 15.164 ( 1.887 2.266 2.406) 3.806 15.232 ( -1.048 0.869 -0.086) 1.364 16.022 ( -4.075 -3.083 5.783) 7.717 16.227 ( -7.602 -2.504 -3.558) 8.759 16.329 ( 12.431 3.330 4.377) 13.593 16.517 ( 6.386 1.215 2.534) 6.977 16.548 ( 6.263 2.267 -1.569) 6.843 16.768 ( 8.182 0.362 -4.871) 9.529 17.706 ( 4.931 -1.343 -0.413) 5.128 17.844 ( 1.165 -6.023 -8.225) 10.261 18.103 ( 3.650 -3.795 6.596) 8.440 18.362 ( 0.277 -5.198 -5.355) 7.469 20.548 ( -0.014 -2.420 21.472) 21.608 21.217 ( 0.641 -2.913 -12.267) 12.624 22.172 ( -3.621 4.818 13.753) 15.015 22.640 ( -5.008 6.963 -9.117) 12.518 ======================= Grid point 245 (78/125) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 5.052 -3.143 22.980) 23.737 2.549 ( 7.042 -10.760 23.906) 27.145 3.034 ( -2.030 7.917 -15.531) 17.550 3.663 ( 6.799 -7.728 -19.927) 22.428 4.261 ( 2.034 -2.409 22.807) 23.023 4.558 ( -0.297 -3.215 8.506) 9.098 5.428 ( 1.520 -0.063 18.871) 18.932 5.657 ( 9.187 -3.104 19.176) 21.489 6.464 ( -1.662 2.511 -22.855) 23.053 6.666 ( 4.519 -4.430 -22.562) 23.433 7.576 ( -21.568 11.199 3.619) 24.570 7.758 ( -13.807 15.588 -0.650) 20.833 8.214 ( 5.617 10.367 17.650) 21.226 8.700 ( -3.106 2.171 3.183) 4.949 8.869 ( -18.740 -4.321 -0.268) 19.233 8.923 ( -3.133 12.147 -8.996) 15.437 9.418 ( 3.602 -5.051 11.410) 12.987 9.678 ( -8.051 8.070 17.134) 20.580 9.905 ( 7.706 -8.210 1.819) 11.406 10.390 ( -1.848 -6.013 3.582) 7.239 10.561 ( -5.928 0.023 -10.686) 12.220 10.691 ( 5.353 -16.281 -12.384) 21.144 10.885 ( -3.216 -1.486 -8.416) 9.131 11.057 ( 12.409 3.412 -15.648) 20.260 11.894 ( 0.193 0.060 2.968) 2.975 11.937 ( -7.927 5.721 4.231) 10.652 12.131 ( -1.982 8.544 3.118) 9.309 12.344 ( -5.898 2.835 -2.991) 7.195 12.627 ( -1.952 -1.494 3.676) 4.422 12.758 ( -3.813 5.385 -4.323) 7.888 13.050 ( -4.195 5.259 8.266) 10.657 13.337 ( -2.884 -0.658 -2.358) 3.783 13.399 ( 2.195 4.372 -5.163) 7.112 13.540 ( 4.473 4.367 -6.767) 9.212 13.927 ( -7.867 2.440 2.100) 8.500 14.085 ( -5.816 -1.839 -5.402) 8.148 14.572 ( 4.019 -8.689 0.062) 9.574 14.650 ( 4.037 -5.641 -3.519) 7.778 15.142 ( 0.519 -0.132 3.873) 3.910 15.281 ( 6.095 -1.517 -3.454) 7.168 16.053 ( -0.930 -4.992 4.257) 6.626 16.194 ( -4.795 -2.832 -3.190) 6.418 16.329 ( 3.113 6.127 6.954) 9.777 16.555 ( 5.560 4.138 1.029) 7.007 16.700 ( 12.017 -2.759 -2.141) 12.514 16.909 ( 14.363 2.892 -7.508) 16.463 17.820 ( 6.400 -3.039 1.531) 7.248 17.981 ( 3.181 -7.743 -4.926) 9.712 18.225 ( 4.089 -4.067 5.228) 7.784 18.447 ( -2.010 -6.372 -3.720) 7.648 20.604 ( 0.769 -4.280 23.205) 23.609 21.298 ( 1.947 -5.520 -12.334) 13.652 22.009 ( -5.738 7.377 13.826) 16.688 22.430 ( -6.723 8.922 -7.539) 13.477 ======================= Grid point 246 (79/125) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 8.402 -7.468 9.979) 15.031 2.648 ( 0.306 -1.643 -4.590) 4.885 3.191 ( 16.171 -11.304 13.668) 24.002 3.849 ( 3.468 -5.210 -12.111) 13.633 4.247 ( -2.904 1.430 17.529) 17.826 4.630 ( 3.762 -2.836 1.721) 5.016 5.455 ( -1.041 -2.299 21.280) 21.429 5.781 ( 8.725 5.362 18.871) 21.471 6.381 ( -4.413 4.192 -18.793) 19.754 6.765 ( 8.796 8.520 -13.742) 18.407 7.189 ( -18.390 2.296 1.787) 18.618 7.411 ( -15.040 -8.786 -12.860) 21.651 8.060 ( -0.624 14.419 14.963) 20.789 8.517 ( -2.454 23.208 -5.226) 23.915 8.683 ( -9.108 -5.008 2.852) 10.778 8.809 ( -6.583 -2.735 -4.272) 8.311 9.455 ( -3.390 6.079 27.492) 28.360 9.548 ( -0.332 -3.036 17.951) 18.209 10.128 ( 4.233 -9.260 3.220) 10.679 10.374 ( -5.969 -0.575 -4.716) 7.629 10.491 ( -2.110 -0.502 -6.822) 7.158 10.830 ( -1.773 -1.798 -10.185) 10.494 10.982 ( 1.792 -8.241 -12.426) 15.018 11.171 ( 8.725 2.508 -18.690) 20.778 11.803 ( -2.987 0.589 7.899) 8.465 11.903 ( 0.665 -0.112 2.727) 2.809 11.998 ( -0.655 4.874 1.776) 5.229 12.299 ( 1.269 1.229 -6.448) 6.685 12.603 ( -2.349 3.925 1.611) 4.850 12.634 ( -3.032 1.039 -2.115) 3.840 12.906 ( -5.930 3.580 4.982) 8.533 13.165 ( -9.862 6.868 -7.202) 14.011 13.391 ( 1.934 1.329 1.950) 3.052 13.563 ( 2.099 -0.809 -4.519) 5.048 13.816 ( -2.958 2.770 3.161) 5.139 14.064 ( -0.415 -0.092 -8.711) 8.722 14.688 ( -0.415 -3.207 -0.741) 3.317 14.739 ( 0.831 -1.945 -2.988) 3.661 15.229 ( 4.797 -5.998 5.076) 9.206 15.408 ( 6.099 -2.925 -4.297) 8.013 16.109 ( -2.114 3.527 2.947) 5.059 16.138 ( -0.274 -3.086 -0.934) 3.236 16.349 ( 1.500 -3.626 4.694) 6.118 16.543 ( 2.631 4.325 -1.854) 5.391 16.895 ( 10.022 -2.046 -2.330) 10.490 17.032 ( 11.429 4.614 -7.570) 14.464 17.961 ( 6.010 -3.982 4.086) 8.287 18.152 ( 4.872 -6.880 -2.672) 8.843 18.309 ( 1.736 -1.175 3.846) 4.380 18.481 ( -4.977 -4.204 -2.064) 6.834 20.691 ( 1.720 -4.480 26.165) 26.601 21.435 ( 3.618 -7.127 -12.485) 14.824 21.822 ( -5.358 6.329 12.350) 14.876 22.204 ( -6.646 8.474 -7.578) 13.168 ======================= Grid point 247 (80/125) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 1.937 -2.076 6.743) 7.316 2.747 ( 4.171 -3.259 -8.146) 9.715 3.601 ( 13.026 -12.578 13.022) 22.304 3.860 ( -4.376 4.379 1.821) 6.452 4.196 ( -0.816 0.061 18.089) 18.108 4.722 ( 2.405 -1.432 -5.758) 6.403 5.431 ( -3.123 1.166 32.124) 32.296 5.814 ( 9.930 1.514 2.735) 10.410 6.205 ( -12.229 4.359 -17.642) 21.904 6.537 ( -2.910 12.274 -14.768) 19.421 7.244 ( 5.687 -13.384 3.174) 14.884 7.595 ( -3.425 -19.598 -13.348) 23.958 7.782 ( -3.739 13.270 9.910) 16.979 8.102 ( -4.952 20.652 -3.317) 21.495 8.664 ( -2.084 -1.260 3.351) 4.142 8.776 ( -2.601 -1.060 -3.619) 4.582 9.393 ( 3.696 2.064 29.797) 30.097 9.502 ( -6.319 1.246 23.795) 24.651 10.266 ( -0.225 -4.583 10.999) 11.918 10.371 ( 1.376 -2.444 -6.602) 7.174 10.476 ( -0.804 0.670 -14.561) 14.599 10.829 ( -0.676 -0.497 -7.796) 7.842 11.059 ( -0.485 -1.866 -12.949) 13.092 11.204 ( 2.265 1.976 -20.552) 20.771 11.812 ( -0.003 -2.422 9.854) 10.147 11.881 ( 0.622 3.070 5.149) 6.027 11.999 ( 1.136 -1.821 -3.396) 4.018 12.301 ( 1.082 1.007 -7.563) 7.706 12.509 ( -1.675 2.230 0.917) 2.936 12.607 ( -0.787 0.406 0.394) 0.969 12.809 ( -2.723 0.743 1.528) 3.210 12.972 ( -4.467 3.658 -6.920) 9.012 13.393 ( 0.489 0.455 3.654) 3.715 13.599 ( 0.374 -1.175 -5.529) 5.665 13.758 ( -0.591 1.506 4.738) 5.007 14.064 ( 0.346 0.215 -10.064) 10.072 14.695 ( -0.881 -0.282 -0.339) 0.985 14.758 ( 0.029 -0.318 -3.640) 3.654 15.393 ( 3.548 -5.566 4.845) 8.188 15.492 ( 1.833 0.069 -1.950) 2.678 16.003 ( -1.726 3.251 4.446) 5.772 16.200 ( 0.774 -1.992 -6.081) 6.446 16.420 ( 0.344 -2.726 3.543) 4.483 16.511 ( 0.915 2.400 -0.603) 2.639 17.021 ( 3.457 -2.087 -3.951) 5.649 17.076 ( 4.474 3.657 -6.349) 8.585 18.088 ( 3.767 -2.685 5.859) 7.465 18.277 ( 0.601 -0.896 5.253) 5.363 18.338 ( 3.597 -1.870 -3.887) 5.616 18.443 ( -5.466 -0.509 -1.473) 5.684 20.766 ( 1.069 -2.041 29.258) 29.349 21.588 ( 3.122 -5.001 -12.803) 14.095 21.697 ( -2.259 2.424 9.451) 10.015 22.012 ( -4.158 5.351 -7.193) 9.882 ======================= Grid point 253 (81/125) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 5.463 -0.000 30.235) 30.725 2.193 ( 2.307 -0.000 32.657) 32.738 3.336 ( -0.094 0.000 -18.173) 18.173 3.398 ( -3.541 0.000 -28.127) 28.349 4.199 ( 11.394 -0.000 30.481) 32.541 4.490 ( -4.367 0.000 9.524) 10.477 5.505 ( -0.532 0.000 5.649) 5.674 5.538 ( 14.292 -0.000 25.724) 29.428 6.479 ( -0.808 0.000 -29.056) 29.067 6.568 ( 1.276 -0.000 -22.622) 22.658 7.967 ( -15.197 0.000 7.301) 16.859 8.081 ( -5.399 0.000 5.047) 7.391 8.340 ( -0.284 0.000 26.829) 26.830 8.617 ( -15.863 0.000 -1.005) 15.895 8.662 ( -29.340 0.000 6.980) 30.159 9.108 ( 5.583 -0.000 0.209) 5.587 9.557 ( 5.973 -0.000 -6.986) 9.191 9.753 ( -1.505 0.000 -16.857) 16.924 9.893 ( -2.614 0.000 15.225) 15.448 10.203 ( 5.588 -0.000 7.107) 9.040 10.279 ( 5.828 -0.000 -1.729) 6.080 10.564 ( -2.507 0.000 -14.246) 14.465 10.830 ( -3.291 0.000 -4.233) 5.362 11.152 ( 10.297 -0.000 -14.390) 17.695 11.897 ( 0.484 -0.000 2.513) 2.559 12.071 ( -4.558 0.000 -4.724) 6.564 12.361 ( -3.945 0.000 5.479) 6.752 12.399 ( -13.725 0.000 1.644) 13.823 12.436 ( -12.885 0.000 8.261) 15.306 12.815 ( -9.797 0.000 -5.651) 11.310 13.234 ( 2.488 -0.000 6.245) 6.723 13.252 ( -5.711 0.000 2.605) 6.277 13.493 ( 5.702 -0.000 -4.018) 6.975 13.651 ( 1.973 -0.000 -4.522) 4.933 14.029 ( -10.393 0.000 -5.755) 11.880 14.051 ( 11.861 -0.000 -8.959) 14.864 14.400 ( 7.052 -0.000 2.271) 7.408 14.511 ( 3.731 -0.000 -2.847) 4.693 15.168 ( -5.039 0.000 3.957) 6.407 15.226 ( 2.629 -0.000 0.645) 2.707 15.949 ( -2.989 0.000 5.350) 6.128 16.112 ( -5.241 0.000 -2.817) 5.951 16.541 ( 4.264 -0.000 -0.636) 4.311 16.563 ( -1.155 0.000 -0.537) 1.273 16.635 ( 12.995 -0.000 7.229) 14.871 16.948 ( 15.822 -0.000 -6.883) 17.254 17.823 ( 11.964 -0.000 -2.195) 12.164 17.834 ( 4.917 -0.000 -4.612) 6.741 18.156 ( 7.770 -0.000 4.433) 8.946 18.345 ( 2.381 -0.000 -2.875) 3.733 20.528 ( 0.148 -0.000 21.388) 21.389 21.205 ( 1.145 -0.000 -12.567) 12.619 22.141 ( -6.254 0.000 12.789) 14.236 22.598 ( -8.523 0.000 -9.290) 12.608 ======================= Grid point 254 (82/125) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 9.820 3.226 22.167) 24.458 2.447 ( 6.853 -11.933 21.638) 25.643 3.168 ( 1.981 9.814 -16.305) 19.134 3.550 ( 0.736 -12.835 -20.448) 24.154 4.314 ( 4.042 3.339 18.394) 19.127 4.489 ( 1.017 -5.554 9.798) 11.308 5.498 ( 3.789 3.552 12.951) 13.953 5.783 ( 14.629 -3.028 18.119) 23.484 6.458 ( -1.375 0.786 -20.973) 21.033 6.654 ( 6.532 -6.258 -18.529) 20.619 7.506 ( -23.914 18.399 9.811) 31.728 7.786 ( -21.344 16.262 0.322) 26.835 8.338 ( -18.344 -15.634 6.972) 25.091 8.406 ( 2.577 6.415 24.705) 25.654 8.524 ( -12.491 -9.159 -4.985) 16.271 9.202 ( 7.453 4.190 -6.606) 10.805 9.442 ( -5.484 11.949 5.037) 14.079 9.643 ( -6.141 2.949 6.274) 9.262 9.891 ( -1.556 -6.620 5.734) 8.895 10.296 ( 2.897 -2.449 4.035) 5.538 10.458 ( -2.607 -4.293 -12.040) 13.046 10.571 ( 3.563 -7.881 -13.830) 16.312 10.818 ( 0.063 -2.792 -0.615) 2.860 11.287 ( 12.664 2.938 -16.802) 21.244 11.889 ( -2.290 0.965 0.613) 2.560 11.918 ( -6.998 5.799 1.559) 9.221 12.175 ( -7.769 4.523 3.979) 9.831 12.311 ( -1.438 -1.071 -3.590) 4.013 12.419 ( -8.554 -9.204 4.528) 13.356 12.651 ( -14.186 -0.997 -5.655) 15.304 13.091 ( -7.148 6.446 5.733) 11.203 13.261 ( -4.242 -1.189 -0.453) 4.428 13.503 ( 0.198 3.563 -0.894) 3.679 13.573 ( -5.092 2.239 -0.249) 5.568 13.941 ( -0.242 2.092 -1.937) 2.861 14.208 ( 15.018 7.810 -13.211) 21.472 14.546 ( 7.928 -4.006 1.078) 8.948 14.624 ( 5.171 -5.093 -3.326) 7.983 15.117 ( -2.017 -1.449 6.188) 6.667 15.288 ( 2.244 -4.055 -2.413) 5.226 15.949 ( -2.347 -4.934 4.622) 7.156 16.080 ( -3.382 -3.011 -2.052) 4.972 16.427 ( -3.910 6.406 2.994) 8.080 16.579 ( -3.994 -2.136 -3.310) 5.610 16.845 ( 12.561 -1.360 4.860) 13.537 17.139 ( 12.806 1.766 -7.964) 15.184 17.927 ( 9.832 0.569 0.359) 9.855 18.033 ( 15.449 -1.267 -3.340) 15.857 18.285 ( 9.096 -0.489 2.874) 9.552 18.397 ( 2.535 -1.361 0.046) 2.878 20.558 ( 1.029 -2.961 22.341) 22.560 21.253 ( 1.936 -3.633 -12.726) 13.376 22.015 ( -6.687 4.324 12.341) 14.687 22.436 ( -8.230 5.135 -8.451) 12.866 ======================= Grid point 255 (83/125) ======================= q-point: ( 0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 10.047 -2.751 11.644) 15.623 2.665 ( 8.163 -3.610 -0.733) 8.955 3.248 ( 14.121 -5.639 6.190) 16.417 3.748 ( 0.919 -10.222 -10.788) 14.890 4.268 ( -0.059 3.934 14.006) 14.549 4.612 ( 3.015 -4.941 0.559) 5.815 5.465 ( -0.887 3.797 15.125) 15.620 5.917 ( -1.485 0.327 5.215) 5.432 6.441 ( 3.809 8.092 -3.647) 9.658 6.935 ( 5.367 -12.656 -4.983) 14.622 6.978 ( -9.994 8.306 -0.476) 13.004 7.202 ( -19.946 13.554 -10.301) 26.224 8.232 ( -4.376 7.081 15.128) 17.267 8.422 ( -8.830 -7.477 6.529) 13.285 8.534 ( -5.707 -7.825 0.984) 9.735 8.913 ( -7.499 22.286 -1.438) 23.558 9.400 ( -3.828 -5.036 16.092) 17.291 9.545 ( -1.643 2.431 16.000) 16.267 9.984 ( -3.464 -9.467 3.743) 10.753 10.336 ( -0.056 1.397 -4.969) 5.162 10.425 ( -1.447 -3.375 -12.186) 12.727 10.732 ( -0.547 -7.327 -16.244) 17.828 10.931 ( 5.259 -4.013 -0.886) 6.674 11.376 ( 8.674 6.041 -17.950) 20.831 11.763 ( -3.222 0.824 4.239) 5.388 11.877 ( -1.549 -1.566 -1.418) 2.620 12.043 ( -3.683 3.317 5.866) 7.680 12.336 ( 1.899 -0.518 -5.388) 5.736 12.438 ( -10.489 -9.211 0.791) 13.982 12.488 ( -12.750 -3.257 -4.677) 13.966 12.885 ( -8.062 5.412 4.731) 10.801 13.133 ( -8.341 4.948 -6.606) 11.734 13.449 ( 0.094 2.217 3.075) 3.792 13.529 ( -1.562 -1.214 0.134) 1.983 13.922 ( 4.972 5.294 1.516) 7.419 14.244 ( 11.383 9.929 -10.951) 18.657 14.667 ( 3.290 -1.231 -0.059) 3.514 14.734 ( 3.100 -1.210 -3.860) 5.097 15.187 ( 3.095 -6.439 7.108) 10.078 15.406 ( 3.239 -5.484 -4.108) 7.579 16.026 ( -2.252 -8.383 1.362) 8.787 16.081 ( -3.484 -1.598 -0.720) 3.900 16.292 ( -5.838 0.920 4.772) 7.596 16.526 ( -7.476 -1.501 -5.191) 9.225 16.987 ( 5.863 -0.458 2.657) 6.453 17.226 ( 6.583 4.340 -7.878) 11.146 18.067 ( 11.852 0.941 4.292) 12.640 18.267 ( 17.822 0.895 -3.325) 18.151 18.374 ( 5.008 2.504 2.191) 6.013 18.444 ( 3.368 0.173 1.089) 3.543 20.639 ( 1.403 -4.890 24.546) 25.068 21.367 ( 2.375 -7.076 -12.737) 14.763 21.854 ( -4.110 6.093 11.546) 13.687 22.241 ( -5.874 7.367 -8.195) 12.487 ======================= Grid point 256 (84/125) ======================= q-point: ( 0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 7.292 0.479 7.171) 10.239 2.802 ( 6.642 0.587 -8.025) 10.434 3.589 ( 13.185 -10.301 11.980) 20.579 3.828 ( -4.310 -0.125 0.996) 4.426 4.217 ( 1.169 2.584 16.053) 16.301 4.695 ( -0.962 -2.901 -5.099) 5.945 5.370 ( -7.131 0.365 17.726) 19.111 5.860 ( -6.571 -9.160 -11.189) 15.884 6.128 ( -12.351 17.432 5.033) 21.949 6.671 ( -6.045 12.992 -9.171) 17.013 7.158 ( 11.453 -14.275 2.046) 18.415 7.415 ( 16.348 -15.435 -8.498) 24.036 7.965 ( -5.942 19.625 12.788) 24.166 8.324 ( -5.384 9.799 -1.795) 11.324 8.539 ( -5.234 -2.388 4.957) 7.594 8.644 ( -6.533 -5.810 -1.992) 8.967 9.373 ( -5.921 -1.345 24.598) 25.337 9.508 ( 0.609 1.007 21.937) 21.969 10.080 ( -6.019 -11.282 4.869) 13.683 10.360 ( 3.659 -2.044 -6.751) 7.946 10.467 ( 0.433 -0.929 -13.944) 13.982 10.825 ( 1.054 -5.219 -15.295) 16.195 10.999 ( 0.997 1.026 -3.579) 3.855 11.341 ( 2.150 6.297 -17.412) 18.640 11.774 ( 0.686 -1.864 4.587) 4.999 11.914 ( 0.190 -2.010 0.707) 2.139 11.959 ( -3.233 0.325 2.194) 3.920 12.333 ( -5.465 0.462 -10.717) 12.039 12.373 ( -7.059 -4.626 4.006) 9.342 12.470 ( -7.440 -8.304 -1.089) 11.203 12.761 ( -2.346 0.132 1.148) 2.615 12.968 ( -4.117 3.368 -7.660) 9.326 13.423 ( -0.759 0.862 4.049) 4.209 13.541 ( -0.838 -1.756 -1.194) 2.283 13.914 ( 7.936 7.094 3.359) 11.162 14.231 ( 9.435 10.043 -9.136) 16.533 14.699 ( 1.758 0.359 -0.314) 1.821 14.762 ( 1.026 0.333 -3.778) 3.929 15.345 ( 3.134 -6.676 5.927) 9.461 15.498 ( 0.695 -1.590 -2.246) 2.838 15.990 ( -5.778 1.725 2.779) 6.640 16.143 ( -0.327 -7.045 -3.919) 8.068 16.256 ( -8.621 -7.036 2.677) 11.445 16.438 ( -9.963 -3.455 -4.134) 11.327 17.017 ( -0.870 0.866 0.592) 1.363 17.190 ( 0.792 6.525 -6.987) 9.593 18.193 ( 9.173 3.335 6.522) 11.739 18.350 ( 3.090 4.317 5.849) 7.899 18.460 ( 4.733 4.348 -3.163) 7.163 18.496 ( 16.397 3.023 -3.488) 17.034 20.722 ( -0.257 -4.309 27.497) 27.834 21.510 ( 0.236 -8.102 -13.142) 15.440 21.743 ( 0.699 4.831 10.124) 11.240 22.073 ( -1.429 7.058 -7.494) 10.393 ======================= Grid point 257 (85/125) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 4.683 6.795 5.016) 9.657 2.786 ( -0.887 6.025 -7.173) 9.410 3.568 ( -18.544 11.252 11.663) 24.628 3.839 ( 3.963 -4.558 1.427) 6.207 4.220 ( 2.142 0.168 15.630) 15.777 4.661 ( -7.386 -0.532 -4.856) 8.855 5.385 ( 3.013 -9.720 21.967) 24.210 5.767 ( -7.189 11.127 12.684) 18.341 6.099 ( 1.996 -20.788 -19.953) 28.883 6.504 ( 1.423 4.963 -13.074) 14.056 7.458 ( 8.425 11.005 7.235) 15.634 7.634 ( -3.848 -4.974 11.787) 13.360 7.852 ( 7.532 -17.693 -4.993) 19.868 8.047 ( 4.915 22.083 -12.410) 25.804 8.601 ( 0.229 -10.054 5.378) 11.405 8.746 ( 2.621 -8.599 -3.844) 9.777 9.315 ( -3.572 -1.643 28.579) 28.849 9.552 ( 2.771 -2.154 23.461) 23.722 10.141 ( -8.950 -9.283 3.240) 13.296 10.449 ( 6.719 2.632 -2.013) 7.492 10.455 ( -2.006 -1.360 -13.966) 14.175 10.917 ( 4.573 1.823 -8.100) 9.478 10.954 ( -4.566 -2.735 -10.476) 11.751 11.289 ( 2.459 4.881 -20.532) 21.247 11.787 ( -3.298 -1.565 8.922) 9.640 11.867 ( -2.065 1.609 3.467) 4.345 11.968 ( -2.347 -1.465 -3.285) 4.295 12.245 ( -8.179 -3.414 -9.954) 13.328 12.386 ( -2.773 -5.690 5.494) 8.382 12.507 ( -4.569 -6.739 -2.250) 8.447 12.798 ( 2.564 -3.234 -0.916) 4.228 12.974 ( 4.757 -4.397 -7.216) 9.696 13.399 ( -1.184 0.600 3.770) 3.997 13.544 ( -2.158 -1.016 -2.932) 3.780 13.929 ( 10.881 7.457 4.556) 13.955 14.206 ( 8.590 8.973 -6.707) 14.117 14.724 ( 2.674 0.212 -0.967) 2.851 14.767 ( 0.598 0.418 -3.380) 3.458 15.410 ( -3.112 1.450 3.833) 5.146 15.449 ( -5.496 1.794 -1.859) 6.073 15.941 ( -2.384 -3.981 4.981) 6.808 16.175 ( -5.817 -1.464 -5.475) 8.121 16.273 ( -6.756 -10.313 1.201) 12.387 16.382 ( -9.027 -5.722 -1.834) 10.844 16.946 ( -6.192 1.821 -1.385) 6.601 17.062 ( -3.526 7.410 -6.292) 10.341 18.160 ( 0.387 7.867 6.247) 10.053 18.372 ( 6.163 3.187 6.159) 9.277 18.403 ( 2.451 8.233 -2.081) 8.839 18.651 ( 15.712 6.685 -5.446) 17.923 20.749 ( -2.259 -1.461 28.675) 28.801 21.562 ( -5.029 -1.889 -13.448) 14.481 21.734 ( 4.695 1.315 10.144) 11.255 22.038 ( 5.370 0.143 -6.453) 8.396 ======================= Grid point 258 (86/125) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -1.901 14.007 7.302) 15.910 2.711 ( 4.016 3.010 -6.079) 7.883 3.095 ( -21.348 10.293 15.865) 28.520 3.812 ( -9.114 1.982 -14.025) 16.843 4.279 ( 3.599 -1.180 15.781) 16.229 4.593 ( -2.595 -1.186 1.510) 3.228 5.567 ( -1.738 7.790 20.555) 22.050 5.620 ( 4.184 -6.965 22.232) 23.670 6.330 ( -2.398 -8.625 -18.513) 20.564 6.570 ( 2.783 -6.214 -12.125) 13.906 7.379 ( 10.838 0.539 7.939) 13.446 7.721 ( 1.192 2.878 -1.984) 3.693 7.917 ( 4.219 -1.129 -1.930) 4.775 8.162 ( -1.721 -15.361 -7.831) 17.327 8.805 ( 9.447 -5.380 3.289) 11.358 8.940 ( 10.776 -4.024 -3.370) 11.987 9.377 ( 1.636 -8.561 28.646) 29.943 9.579 ( -1.194 1.451 18.385) 18.481 10.112 ( -6.992 -0.737 1.726) 7.239 10.428 ( -3.722 -5.309 -13.380) 14.869 10.529 ( 8.484 3.032 3.049) 9.511 10.849 ( -2.988 2.935 -4.649) 6.257 10.998 ( -0.325 -0.756 -15.124) 15.147 11.206 ( 0.073 10.174 -21.552) 23.833 11.769 ( -3.302 -5.491 10.988) 12.719 11.862 ( -0.711 -2.639 3.478) 4.423 11.949 ( -0.908 -1.165 -1.788) 2.320 12.234 ( -3.509 -5.652 -9.108) 11.279 12.458 ( -3.136 -8.446 3.424) 9.638 12.540 ( -4.333 -5.691 -3.016) 7.762 12.922 ( 5.477 -5.468 1.990) 7.992 13.184 ( 9.115 -8.101 -8.392) 14.803 13.363 ( -2.484 1.209 2.593) 3.789 13.510 ( -3.330 0.367 -3.929) 5.164 13.995 ( 14.552 6.199 5.283) 16.676 14.207 ( 9.830 6.872 -3.255) 12.428 14.751 ( 1.924 2.133 -2.232) 3.637 14.758 ( -0.229 1.453 -2.423) 2.834 15.239 ( -7.361 6.312 1.304) 9.784 15.316 ( -12.304 1.031 -3.448) 12.819 16.028 ( 0.301 -7.903 5.958) 9.901 16.114 ( -6.400 -2.664 1.563) 7.106 16.311 ( -4.605 -2.707 0.110) 5.343 16.364 ( -7.019 -7.571 -2.716) 10.675 16.807 ( -8.446 2.703 -3.079) 9.387 16.884 ( -6.633 6.308 -6.626) 11.300 18.018 ( -1.501 8.934 5.464) 10.579 18.271 ( -0.068 9.879 -5.649) 11.380 18.382 ( 4.272 6.296 8.915) 11.721 18.706 ( 10.742 10.012 -6.439) 16.034 20.715 ( -2.085 1.619 26.977) 27.106 21.469 ( -4.437 3.738 -12.452) 13.738 21.819 ( 5.247 -3.121 12.517) 13.927 22.175 ( 5.987 -6.207 -6.542) 10.824 ======================= Grid point 259 (87/125) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.086 9.990 20.279) 22.702 2.551 ( -14.174 10.510 26.046) 31.460 2.984 ( 7.563 -7.671 -16.029) 19.313 3.618 ( -10.434 3.174 -23.034) 25.486 4.304 ( 0.675 2.978 20.081) 20.311 4.587 ( -0.057 0.990 6.330) 6.407 5.454 ( -1.436 4.103 23.109) 23.514 5.648 ( 0.031 4.691 21.104) 21.620 6.396 ( -2.021 -6.090 -19.673) 20.693 6.665 ( 1.496 -1.576 -16.542) 16.684 7.681 ( 11.650 -13.435 7.144) 19.164 7.790 ( 12.018 -0.943 -2.295) 12.271 7.994 ( -2.498 -5.555 -0.304) 6.098 8.317 ( -12.128 -20.421 -4.120) 24.106 8.980 ( 7.635 -2.835 3.431) 8.837 9.150 ( 12.853 -1.714 -1.813) 13.093 9.460 ( -1.106 3.994 16.310) 16.829 9.585 ( -1.474 -7.297 21.382) 22.641 9.992 ( 0.370 7.183 -5.056) 8.792 10.472 ( -3.500 0.840 10.059) 10.684 10.604 ( 5.911 -2.686 -12.724) 14.285 10.754 ( -6.649 -0.563 -10.535) 12.470 10.944 ( -0.400 12.785 -13.103) 18.311 11.008 ( -1.579 5.946 -15.626) 16.793 11.882 ( -0.328 -1.624 5.580) 5.820 11.910 ( 3.323 -10.252 7.683) 13.236 12.014 ( 0.267 -6.839 -0.770) 6.887 12.345 ( 5.208 -8.649 -6.341) 11.922 12.528 ( -4.164 -6.582 2.294) 8.120 12.584 ( -6.264 -10.113 -3.922) 12.526 13.084 ( 6.420 -4.106 4.091) 8.649 13.284 ( -5.082 2.166 1.829) 5.819 13.396 ( 4.646 -5.061 -9.200) 11.482 13.454 ( -2.809 1.080 -5.011) 5.846 14.139 ( 16.348 3.709 5.495) 17.641 14.269 ( 12.286 4.791 0.766) 13.209 14.658 ( -6.493 5.639 -2.593) 8.982 14.673 ( -3.292 8.959 -4.148) 10.407 15.103 ( -5.348 -0.419 0.520) 5.389 15.161 ( -8.100 -2.755 -3.410) 9.210 16.092 ( -1.375 -1.790 4.984) 5.471 16.154 ( -1.143 -7.376 7.024) 10.250 16.277 ( -0.717 -0.193 -1.320) 1.514 16.382 ( -5.810 -5.426 -0.060) 7.950 16.641 ( -5.852 6.661 -4.362) 9.881 16.724 ( -7.190 0.386 -7.607) 10.474 17.861 ( -1.682 8.467 4.176) 9.589 18.112 ( -0.072 10.382 -7.347) 12.719 18.300 ( 0.503 8.359 8.864) 12.194 18.639 ( 4.321 11.913 -7.300) 14.625 20.655 ( -0.757 3.434 24.430) 24.682 21.357 ( -1.697 5.093 -12.006) 13.152 21.958 ( 3.287 -6.896 14.782) 16.640 22.360 ( 3.605 -9.042 -6.489) 11.699 ======================= Grid point 260 (88/125) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 0.301 31.468) 31.470 2.272 ( 0.000 7.962 32.184) 33.154 3.195 ( -0.000 -7.972 -16.717) 18.520 3.499 ( 0.000 1.795 -28.916) 28.972 4.202 ( 0.000 8.896 28.378) 29.739 4.566 ( 0.000 1.230 8.023) 8.117 5.392 ( 0.000 2.983 27.115) 27.279 5.580 ( 0.000 2.725 12.427) 12.722 6.474 ( -0.000 -5.192 -22.399) 22.993 6.642 ( 0.000 5.499 -27.471) 28.016 7.932 ( -0.000 -5.572 -1.942) 5.900 8.017 ( -0.000 -15.582 23.313) 28.041 8.035 ( -0.000 -6.334 -7.065) 9.489 8.561 ( -0.000 -22.015 2.382) 22.144 9.091 ( -0.000 -3.184 1.729) 3.623 9.266 ( -0.000 -0.347 1.270) 1.316 9.420 ( 0.000 3.109 -0.158) 3.113 9.563 ( 0.000 1.259 30.499) 30.525 9.939 ( 0.000 4.494 -13.125) 13.873 10.319 ( 0.000 9.684 3.050) 10.153 10.634 ( 0.000 12.082 -7.895) 14.433 10.667 ( 0.000 9.871 -5.864) 11.481 10.819 ( -0.000 -10.718 -12.801) 16.696 10.963 ( 0.000 2.861 -12.806) 13.121 11.888 ( -0.000 -0.097 3.792) 3.793 12.052 ( -0.000 -3.856 -2.811) 4.772 12.189 ( -0.000 -13.762 12.421) 18.539 12.572 ( -0.000 -7.245 4.608) 8.586 12.628 ( -0.000 -7.007 -0.611) 7.033 12.661 ( -0.000 -15.307 -8.208) 17.369 13.142 ( 0.000 5.813 3.112) 6.593 13.234 ( -0.000 -5.190 1.884) 5.521 13.404 ( 0.000 2.614 -7.146) 7.609 13.454 ( 0.000 0.551 -7.138) 7.159 14.233 ( 0.000 1.878 7.241) 7.481 14.346 ( 0.000 4.196 0.921) 4.296 14.453 ( 0.000 13.152 -5.110) 14.110 14.477 ( 0.000 3.578 -5.027) 6.170 15.097 ( -0.000 -3.418 1.486) 3.727 15.185 ( -0.000 -4.678 -2.080) 5.119 16.133 ( 0.000 3.603 7.090) 7.954 16.149 ( -0.000 -3.872 5.886) 7.045 16.348 ( -0.000 -3.840 -3.751) 5.368 16.407 ( -0.000 -5.073 0.052) 5.073 16.467 ( 0.000 6.859 -1.658) 7.056 16.697 ( -0.000 -2.232 -6.233) 6.620 17.733 ( 0.000 6.003 2.253) 6.412 17.961 ( 0.000 9.307 -9.198) 13.085 18.171 ( 0.000 7.660 8.486) 11.432 18.488 ( 0.000 10.459 -7.036) 12.606 20.595 ( 0.000 3.649 22.494) 22.788 21.271 ( 0.000 4.684 -12.040) 12.919 22.098 ( -0.000 -7.758 14.930) 16.825 22.536 ( -0.000 -10.161 -7.296) 12.509 ======================= Grid point 263 (89/125) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.024 -0.000 19.846) 20.472 2.517 ( 17.743 -0.000 10.237) 20.485 3.358 ( 4.870 -0.000 -13.071) 13.948 3.408 ( 6.507 -0.000 -14.439) 15.838 4.391 ( -1.272 0.000 8.462) 8.557 4.475 ( 6.865 -0.000 8.126) 10.637 5.582 ( 1.019 -0.000 11.177) 11.224 5.881 ( -0.488 0.000 3.925) 3.955 6.483 ( 5.996 -0.000 -2.343) 6.438 6.714 ( 11.905 -0.000 -12.470) 17.240 7.395 ( -18.624 0.000 8.185) 20.343 7.502 ( -36.197 0.000 4.943) 36.533 7.995 ( -9.867 0.000 7.194) 12.211 8.295 ( -9.098 0.000 -10.326) 13.762 8.497 ( 3.663 -0.000 29.566) 29.792 9.267 ( 1.447 -0.000 4.237) 4.477 9.575 ( -8.645 0.000 -10.557) 13.645 9.588 ( -11.564 0.000 22.743) 25.514 9.614 ( -5.132 0.000 -2.979) 5.934 10.363 ( 0.872 -0.000 -1.124) 1.423 10.415 ( 0.886 -0.000 -13.009) 13.040 10.557 ( 6.476 -0.000 -18.864) 19.945 10.831 ( 5.946 -0.000 8.068) 10.023 11.480 ( 11.902 -0.000 -18.453) 21.958 11.867 ( -3.251 0.000 -1.788) 3.710 11.879 ( -7.068 0.000 -1.714) 7.273 12.074 ( -13.715 0.000 4.851) 14.547 12.128 ( -6.969 0.000 2.360) 7.357 12.389 ( 3.521 -0.000 -4.203) 5.483 12.421 ( -15.584 0.000 -4.453) 16.208 13.017 ( -10.577 0.000 4.122) 11.351 13.184 ( -6.277 0.000 -1.235) 6.397 13.485 ( -3.541 0.000 0.081) 3.542 13.531 ( -4.177 0.000 -0.883) 4.270 14.007 ( 6.049 -0.000 4.397) 7.478 14.448 ( 8.135 -0.000 -10.531) 13.307 14.653 ( 6.677 -0.000 -0.527) 6.698 14.717 ( 16.645 -0.000 -7.871) 18.412 15.072 ( -1.030 0.000 7.772) 7.840 15.260 ( 0.110 -0.000 -1.763) 1.767 15.869 ( -3.192 0.000 5.426) 6.295 16.020 ( -2.342 0.000 -1.895) 3.012 16.386 ( -11.264 0.000 -0.009) 11.264 16.459 ( -7.195 0.000 -3.914) 8.191 16.980 ( 8.218 -0.000 6.172) 10.277 17.296 ( 8.051 -0.000 -8.506) 11.712 18.092 ( 13.554 -0.000 3.786) 14.073 18.293 ( 21.548 -0.000 -5.456) 22.228 18.426 ( 10.656 -0.000 1.658) 10.785 18.441 ( 4.298 -0.000 3.614) 5.615 20.551 ( 1.251 -0.000 21.963) 21.999 21.246 ( 1.185 -0.000 -12.904) 12.958 21.963 ( -5.260 0.000 11.420) 12.573 22.370 ( -6.813 0.000 -8.624) 10.991 ======================= Grid point 264 (90/125) ======================= q-point: ( 0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 7.960 -2.363 12.704) 15.177 2.780 ( 14.814 -2.098 -3.691) 15.411 3.429 ( 15.943 1.674 0.662) 16.044 3.645 ( 8.009 -9.032 -6.233) 13.585 4.351 ( 1.952 4.687 9.303) 10.599 4.581 ( 2.590 -3.582 -0.269) 4.429 5.472 ( -10.683 4.549 5.760) 12.962 5.721 ( -21.935 -1.383 -6.742) 22.989 6.684 ( 14.913 -4.225 10.690) 18.829 6.796 ( -16.824 15.466 7.984) 24.207 6.987 ( 2.328 0.275 -3.271) 4.024 7.227 ( 0.049 3.116 -5.051) 5.935 7.974 ( -10.959 -13.406 8.604) 19.335 8.246 ( -8.799 -8.008 -7.049) 13.829 8.512 ( 3.368 5.395 26.470) 27.224 9.057 ( -16.781 16.189 16.171) 28.376 9.323 ( -1.421 2.178 -1.120) 2.831 9.503 ( -6.749 -0.311 13.595) 15.181 9.729 ( -6.869 -14.011 -0.175) 15.605 10.371 ( -0.396 0.071 -14.711) 14.717 10.399 ( 1.956 0.052 -6.499) 6.787 10.691 ( 7.553 -1.672 -19.786) 21.245 10.965 ( 7.127 -3.251 6.338) 10.077 11.550 ( 1.437 6.684 -16.733) 18.076 11.752 ( -1.853 1.128 -0.679) 2.274 11.832 ( -2.413 -0.503 -3.842) 4.565 11.939 ( -10.612 -4.333 2.662) 11.768 12.089 ( -12.725 -9.215 -2.611) 15.926 12.282 ( -4.808 -1.289 0.603) 5.014 12.425 ( 2.153 1.388 -5.133) 5.736 12.845 ( -8.039 3.600 3.690) 9.550 13.074 ( -7.898 1.628 -5.379) 9.693 13.428 ( -3.755 0.560 1.398) 4.046 13.499 ( -1.547 -1.383 -1.040) 2.321 14.081 ( 8.026 2.841 8.013) 11.692 14.502 ( 7.070 4.880 -7.376) 11.322 14.732 ( 4.870 1.397 0.264) 5.074 14.843 ( 7.336 5.691 -8.522) 12.603 15.138 ( 4.321 -4.920 7.711) 10.116 15.336 ( 1.668 -7.793 -3.211) 8.592 15.865 ( -3.870 -5.479 4.784) 8.239 16.006 ( -2.858 -1.987 -1.594) 3.828 16.195 ( -12.290 1.373 0.618) 12.382 16.353 ( -11.489 -1.702 -6.915) 13.517 17.056 ( 3.744 0.979 5.152) 6.443 17.352 ( 3.625 3.158 -8.516) 9.779 18.278 ( 14.980 1.909 7.049) 16.665 18.476 ( 4.009 2.805 6.137) 7.849 18.550 ( 8.460 1.486 0.296) 8.595 18.589 ( 22.821 2.003 -6.876) 23.918 20.586 ( -0.125 -3.179 22.487) 22.711 21.286 ( -0.870 -4.778 -12.827) 13.715 21.889 ( -1.191 3.233 10.772) 11.310 22.266 ( -3.241 4.070 -8.156) 9.674 ======================= Grid point 265 (91/125) ======================= q-point: ( 0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 9.297 -2.114 8.185) 12.565 2.932 ( 7.790 2.950 -9.212) 12.420 3.674 ( 12.003 -2.457 7.241) 14.231 3.798 ( 2.162 0.620 2.069) 3.056 4.302 ( 2.139 5.393 11.355) 12.751 4.620 ( -4.585 -1.851 -2.697) 5.633 5.232 ( -13.731 0.207 4.170) 14.351 5.536 ( -11.588 -12.024 -14.198) 21.919 6.248 ( -13.571 18.535 15.602) 27.770 6.758 ( -3.959 6.287 -6.090) 9.607 7.185 ( 18.052 -8.104 7.004) 20.991 7.457 ( 13.399 -8.291 -4.742) 16.455 8.076 ( -7.586 -16.872 9.599) 20.841 8.203 ( -5.302 13.624 7.726) 16.535 8.400 ( -3.826 -3.982 4.403) 7.062 8.687 ( -3.521 11.643 8.986) 15.123 9.252 ( -6.887 -2.232 12.433) 14.387 9.456 ( -4.724 -3.147 21.650) 22.382 9.828 ( -5.796 -10.322 0.465) 11.847 10.384 ( 1.705 -0.800 -15.909) 16.020 10.469 ( 3.116 -3.181 -6.210) 7.642 10.799 ( 6.068 -0.497 -19.526) 20.453 11.051 ( 1.513 0.550 0.685) 1.750 11.400 ( -5.862 4.507 -12.119) 14.197 11.729 ( -6.431 -3.725 0.370) 7.441 11.866 ( -2.813 -3.579 -2.868) 5.380 11.893 ( -1.126 -2.192 -1.004) 2.661 12.053 ( -9.168 -6.114 -6.638) 12.865 12.300 ( -0.665 -4.043 1.618) 4.405 12.388 ( -1.790 2.808 0.036) 3.331 12.759 ( 0.529 0.389 -1.853) 1.966 12.949 ( -4.892 1.679 -7.623) 9.212 13.383 ( -3.275 -0.933 4.003) 5.255 13.510 ( -1.118 -1.811 -2.079) 2.975 14.142 ( 10.246 5.311 8.465) 14.312 14.506 ( 7.862 7.885 -5.722) 12.519 14.751 ( 2.743 1.909 -0.150) 3.345 14.817 ( 2.167 4.464 -5.013) 7.054 15.281 ( 2.246 -6.182 6.261) 9.081 15.458 ( -0.215 -4.309 -2.406) 4.940 15.894 ( -6.910 -3.704 2.504) 8.230 15.953 ( -8.683 -4.444 4.143) 10.598 16.094 ( -4.974 -4.251 -4.686) 8.048 16.212 ( -12.496 -2.708 -8.634) 15.429 17.049 ( 0.219 3.514 3.584) 5.024 17.301 ( 0.298 6.825 -7.977) 10.502 18.385 ( 6.446 6.523 7.890) 12.098 18.491 ( 8.796 3.944 7.770) 12.381 18.602 ( 5.937 4.416 -0.141) 7.401 18.844 ( 21.619 5.035 -8.385) 23.729 20.630 ( -2.737 -4.951 24.238) 24.889 21.356 ( -4.133 -8.287 -12.756) 15.763 21.846 ( 3.415 4.348 9.977) 11.407 22.174 ( 1.321 5.759 -7.032) 9.185 ======================= Grid point 266 (92/125) ======================= q-point: (-0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 7.844 3.898 3.323) 9.368 2.901 ( 1.495 8.699 -6.291) 10.839 3.482 ( -19.164 13.274 9.556) 25.195 3.843 ( -0.763 1.684 -4.951) 5.285 4.264 ( 2.357 2.190 12.742) 13.142 4.541 ( -5.896 -1.357 -0.437) 6.066 5.270 ( 4.840 -11.562 8.190) 14.973 5.775 ( 1.419 -22.301 -17.001) 28.079 5.894 ( -3.337 12.613 21.830) 25.431 6.630 ( 1.948 6.517 -10.257) 12.307 7.452 ( -3.617 -7.645 8.318) 11.863 7.662 ( -3.762 -8.524 -1.740) 9.478 7.829 ( 3.460 19.689 13.460) 24.100 8.268 ( 1.201 -8.005 4.798) 9.410 8.577 ( 11.553 4.012 -2.655) 12.515 8.616 ( 6.620 -15.263 -2.163) 16.777 9.210 ( -6.580 -3.822 21.682) 22.979 9.486 ( -2.066 -6.683 23.900) 24.903 9.881 ( -6.736 -8.106 -1.967) 10.721 10.386 ( -5.179 -0.493 -12.574) 13.608 10.567 ( 6.764 -1.537 -4.339) 8.182 10.895 ( 5.561 -1.536 -16.501) 17.481 10.992 ( -3.763 3.267 -1.165) 5.118 11.329 ( -1.018 -1.326 -17.180) 17.262 11.658 ( -10.994 -2.699 5.004) 12.377 11.855 ( -2.695 -1.752 0.131) 3.217 11.926 ( -1.499 -1.503 -2.327) 3.150 12.018 ( -5.147 -2.592 -11.492) 12.856 12.317 ( -2.075 -1.709 3.652) 4.534 12.396 ( 1.181 -3.927 0.946) 4.209 12.795 ( 1.723 -1.751 -3.830) 4.550 12.962 ( 4.035 -5.354 -7.941) 10.393 13.362 ( -2.643 -1.244 4.697) 5.531 13.514 ( -1.425 -0.788 -2.797) 3.237 14.206 ( 12.650 6.483 7.801) 16.214 14.483 ( 9.005 9.618 -2.975) 13.508 14.766 ( 2.230 0.383 -0.965) 2.459 14.792 ( 1.005 1.689 -3.223) 3.775 15.313 ( -9.498 -1.941 2.094) 9.918 15.422 ( -5.446 3.464 -1.414) 6.607 15.830 ( -4.614 -3.956 4.392) 7.499 15.938 ( -9.946 -7.442 4.942) 13.369 16.128 ( -1.639 -5.769 -9.212) 10.992 16.148 ( -7.830 -6.648 -5.475) 11.639 16.960 ( -1.978 6.273 2.006) 6.877 17.163 ( -1.638 9.714 -7.249) 12.231 18.300 ( 0.931 9.057 7.239) 11.631 18.521 ( 4.409 6.897 -0.077) 8.187 18.601 ( 7.714 6.833 7.780) 12.912 19.005 ( 16.667 8.673 -9.491) 21.049 20.661 ( -3.562 -4.729 25.996) 26.661 21.407 ( -6.249 -7.406 -12.362) 15.707 21.846 ( 5.203 3.606 9.844) 11.703 22.142 ( 4.600 3.583 -5.918) 8.308 ======================= Grid point 267 (93/125) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 1.896 16.614 2.575) 16.919 2.824 ( 4.507 2.859 -5.474) 7.646 2.995 ( -16.407 13.462 14.925) 25.945 3.701 ( -10.301 3.073 -17.566) 20.594 4.298 ( 2.259 -1.153 13.822) 14.053 4.553 ( 1.302 -2.567 1.994) 3.502 5.481 ( -1.203 -6.022 11.891) 13.383 5.787 ( 7.897 5.176 26.689) 28.310 6.084 ( -2.520 -16.001 -14.222) 21.555 6.635 ( 6.475 2.188 -9.845) 11.985 7.378 ( -6.727 -4.877 13.563) 15.906 7.674 ( -6.587 -7.579 -1.333) 10.129 7.792 ( 4.301 0.856 5.784) 7.258 8.292 ( 5.161 7.347 -11.797) 14.826 8.817 ( 9.069 -7.728 4.023) 12.576 8.961 ( 10.366 -10.994 -1.230) 15.161 9.228 ( -3.742 -9.415 23.075) 25.201 9.557 ( -0.140 -3.315 19.324) 19.607 9.940 ( -3.354 -11.723 -1.596) 12.298 10.267 ( -9.819 1.113 -10.015) 14.069 10.686 ( 7.806 0.870 0.358) 7.862 10.873 ( -2.282 2.592 -4.472) 5.651 10.994 ( 1.567 0.253 -14.497) 14.584 11.336 ( 1.005 3.734 -22.140) 22.476 11.578 ( -7.584 -7.243 9.273) 13.999 11.836 ( -0.494 0.730 1.726) 1.938 11.913 ( -2.041 -2.005 -2.654) 3.902 12.034 ( -3.802 -8.121 -10.883) 14.101 12.340 ( -1.205 -3.821 3.411) 5.261 12.457 ( 0.125 -2.161 -1.479) 2.622 12.887 ( 2.798 -6.428 0.693) 7.045 13.158 ( 5.671 -9.050 -9.472) 14.275 13.340 ( -2.068 0.015 4.055) 4.552 13.492 ( -1.471 0.902 -3.136) 3.580 14.291 ( 12.472 5.555 7.639) 15.645 14.485 ( 12.762 8.588 0.478) 15.390 14.771 ( -1.575 2.149 -2.077) 3.378 14.797 ( 1.784 -0.056 -2.189) 2.824 15.110 ( -17.772 0.170 -0.697) 17.787 15.239 ( -6.847 7.570 -4.713) 11.242 15.901 ( -0.448 -8.379 6.974) 10.911 15.941 ( -4.739 -6.287 5.458) 9.580 16.157 ( -5.197 -5.990 -3.775) 8.783 16.210 ( -1.002 -6.665 -8.318) 10.706 16.818 ( -2.446 7.809 0.367) 8.191 16.976 ( -1.919 11.148 -6.809) 13.204 18.157 ( -0.128 10.111 6.521) 12.032 18.421 ( 0.672 9.547 -5.188) 10.886 18.572 ( 4.472 8.821 11.579) 15.227 19.020 ( 8.527 12.072 -10.179) 17.946 20.679 ( -1.942 -2.581 26.448) 26.645 21.415 ( -3.910 -3.053 -11.573) 12.592 21.869 ( 3.466 1.286 11.248) 11.840 22.184 ( 3.568 -1.373 -5.673) 6.841 ======================= Grid point 268 (94/125) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.000 15.023 12.705) 19.675 2.619 ( 0.000 14.563 22.650) 26.928 2.943 ( -0.000 -6.099 -12.921) 14.288 3.567 ( 0.000 2.790 -23.869) 24.031 4.331 ( -0.000 -0.505 16.057) 16.065 4.594 ( -0.000 -0.736 3.559) 3.634 5.481 ( 0.000 1.324 18.144) 18.192 5.768 ( 0.000 7.307 27.096) 28.064 6.249 ( -0.000 -10.295 -16.255) 19.241 6.664 ( -0.000 -0.189 -9.782) 9.784 7.517 ( -0.000 -14.920 14.464) 20.781 7.810 ( -0.000 -2.037 -0.282) 2.056 7.853 ( -0.000 -19.785 -1.015) 19.811 8.173 ( 0.000 12.767 -17.194) 21.415 8.963 ( -0.000 -5.036 5.256) 7.279 9.167 ( -0.000 -6.515 -3.338) 7.321 9.381 ( -0.000 -11.689 28.358) 30.673 9.562 ( 0.000 2.650 12.179) 12.464 10.103 ( 0.000 5.848 -8.459) 10.283 10.215 ( -0.000 -20.138 2.997) 20.360 10.719 ( 0.000 1.895 3.382) 3.877 10.763 ( 0.000 10.072 -12.833) 16.314 11.001 ( -0.000 -1.169 -13.220) 13.272 11.193 ( 0.000 14.210 -18.444) 23.283 11.713 ( -0.000 -14.254 9.094) 16.907 11.849 ( -0.000 -2.408 3.365) 4.138 11.947 ( -0.000 -3.503 -2.393) 4.243 12.175 ( -0.000 -13.795 -10.709) 17.464 12.397 ( -0.000 -5.120 2.348) 5.633 12.478 ( -0.000 -1.597 -1.997) 2.556 13.028 ( -0.000 -7.979 2.892) 8.487 13.302 ( 0.000 2.927 3.409) 4.493 13.334 ( -0.000 -7.854 -10.004) 12.719 13.458 ( 0.000 1.676 -3.551) 3.927 14.320 ( 0.000 3.837 8.595) 9.412 14.551 ( 0.000 8.341 6.040) 10.298 14.610 ( 0.000 4.937 -6.111) 7.856 14.778 ( 0.000 5.363 -4.948) 7.297 14.992 ( -0.000 -3.248 -0.655) 3.314 15.099 ( 0.000 2.318 -5.392) 5.869 15.997 ( -0.000 -5.697 5.840) 8.159 16.037 ( -0.000 -8.756 8.478) 12.188 16.202 ( -0.000 -5.356 -4.027) 6.702 16.291 ( -0.000 -4.389 -4.520) 6.300 16.686 ( 0.000 5.904 -2.152) 6.284 16.789 ( 0.000 10.878 -6.848) 12.854 17.998 ( 0.000 10.271 5.578) 11.688 18.271 ( 0.000 10.399 -6.770) 12.408 18.455 ( 0.000 10.039 10.917) 14.831 18.876 ( 0.000 13.758 -9.645) 16.802 20.682 ( 0.000 0.686 25.701) 25.710 21.399 ( 0.000 1.765 -11.576) 11.709 21.904 ( -0.000 -2.895 13.658) 13.961 22.267 ( -0.000 -6.050 -5.929) 8.471 ======================= Grid point 273 (95/125) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 10.099 -0.000 11.483) 15.292 2.962 ( 12.446 -0.000 -10.362) 16.194 3.703 ( 19.256 -0.000 1.408) 19.307 3.706 ( 11.084 -0.000 0.485) 11.095 4.434 ( 3.696 -0.000 7.591) 8.443 4.572 ( -0.890 0.000 0.879) 1.251 5.281 ( -19.577 0.000 -3.410) 19.872 5.373 ( -24.447 0.000 -7.673) 25.623 6.670 ( -22.419 0.000 12.691) 25.762 6.727 ( 2.928 -0.000 6.237) 6.890 7.230 ( 21.916 -0.000 -0.062) 21.916 7.273 ( 7.698 -0.000 3.091) 8.295 7.718 ( -9.531 0.000 8.632) 12.859 8.055 ( -7.517 0.000 -8.991) 11.719 8.614 ( 4.705 -0.000 32.984) 33.318 8.973 ( -15.704 0.000 12.474) 20.055 9.265 ( -13.009 0.000 9.350) 16.021 9.388 ( -7.562 0.000 18.763) 20.229 9.554 ( 2.583 -0.000 -12.105) 12.378 10.382 ( 2.328 -0.000 -3.487) 4.193 10.401 ( -0.499 0.000 -21.584) 21.590 10.833 ( 10.808 -0.000 -24.760) 27.017 11.021 ( 3.863 -0.000 8.039) 8.919 11.551 ( -13.607 0.000 -13.106) 18.892 11.619 ( -13.778 0.000 0.478) 13.786 11.762 ( -4.612 0.000 -5.768) 7.385 11.819 ( -1.138 0.000 0.681) 1.326 11.964 ( 5.705 -0.000 -9.172) 10.801 12.263 ( 1.375 -0.000 4.063) 4.289 12.449 ( -1.782 0.000 -1.972) 2.658 12.783 ( -3.770 0.000 0.215) 3.776 12.977 ( -7.601 0.000 -5.449) 9.353 13.385 ( -3.966 0.000 0.811) 4.048 13.454 ( -1.804 0.000 -1.507) 2.351 14.217 ( 9.046 -0.000 11.096) 14.317 14.609 ( 4.955 -0.000 -4.748) 6.863 14.823 ( 4.698 -0.000 0.892) 4.782 14.945 ( 0.554 -0.000 -5.017) 5.048 15.237 ( -2.258 0.000 1.031) 2.483 15.239 ( 10.509 -0.000 0.088) 10.509 15.775 ( -3.470 0.000 5.998) 6.929 15.942 ( -6.342 0.000 -0.632) 6.373 16.019 ( -10.974 0.000 -2.186) 11.190 16.192 ( -10.989 0.000 -9.734) 14.680 17.107 ( 2.199 -0.000 4.754) 5.238 17.414 ( 1.629 -0.000 -9.164) 9.308 18.511 ( 15.767 -0.000 10.017) 18.680 18.553 ( 3.765 -0.000 8.309) 9.122 18.667 ( 6.562 -0.000 0.915) 6.626 18.922 ( 22.822 -0.000 -9.800) 24.837 20.539 ( -3.119 0.000 20.755) 20.988 21.206 ( -4.919 0.000 -12.727) 13.645 21.922 ( 2.441 -0.000 10.267) 10.553 22.275 ( -0.030 0.000 -7.397) 7.397 ======================= Grid point 274 (96/125) ======================= q-point: ( 0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 9.740 -1.877 9.214) 13.538 3.084 ( 7.641 2.537 -11.392) 13.950 3.764 ( -1.247 4.730 4.946) 6.956 3.935 ( 10.092 2.222 -0.797) 10.365 4.427 ( 1.997 6.097 8.701) 10.811 4.523 ( -5.225 -0.483 4.002) 6.599 5.060 ( -7.376 -1.183 -3.134) 8.101 5.225 ( -6.695 -11.734 -11.489) 17.734 6.297 ( -14.424 11.476 16.912) 25.015 6.742 ( -3.644 -1.040 -3.521) 5.173 7.333 ( 6.774 1.926 6.778) 9.774 7.498 ( 4.123 -2.660 -1.996) 5.297 7.761 ( 2.104 -13.729 11.516) 18.043 8.075 ( -2.206 -10.064 -4.522) 11.251 8.592 ( 2.700 15.161 16.525) 22.588 8.716 ( -5.260 1.492 21.224) 21.917 9.121 ( -8.996 -1.399 6.310) 11.077 9.332 ( -5.796 -2.785 25.113) 25.923 9.649 ( 0.731 -7.272 -5.666) 9.248 10.382 ( -1.631 0.446 -20.492) 20.562 10.454 ( 3.930 -3.296 -4.331) 6.713 10.943 ( 8.197 2.899 -25.562) 27.000 11.021 ( -5.387 -1.105 0.870) 5.568 11.318 ( -12.205 1.491 -10.247) 16.005 11.511 ( -9.233 -5.504 2.147) 10.961 11.729 ( -4.473 -2.608 -5.459) 7.524 11.857 ( 2.534 -2.133 0.959) 3.448 12.071 ( 8.432 1.342 -12.442) 15.090 12.291 ( 1.872 -0.171 3.964) 4.387 12.372 ( -5.614 1.398 3.733) 6.885 12.776 ( 1.801 -0.180 -5.835) 6.109 12.883 ( -5.542 -0.634 -6.951) 8.912 13.331 ( -3.028 -0.082 3.587) 4.695 13.456 ( -1.397 -2.307 -2.325) 3.561 14.335 ( 10.311 1.753 10.965) 15.153 14.663 ( 5.160 1.656 -3.146) 6.266 14.834 ( 2.509 3.728 0.401) 4.511 14.906 ( -1.186 4.319 -4.490) 6.342 15.211 ( -3.830 -3.151 5.887) 7.698 15.392 ( 2.539 -3.659 -0.403) 4.472 15.755 ( -3.447 -2.942 5.898) 7.438 15.798 ( -10.368 -0.162 0.706) 10.394 15.974 ( -2.839 -3.061 -4.339) 6.022 16.057 ( -8.010 -0.480 -13.696) 15.873 17.108 ( 0.754 2.713 3.619) 4.586 17.393 ( 0.204 4.346 -9.176) 10.155 18.547 ( 2.931 6.097 9.066) 11.312 18.689 ( 10.055 3.171 8.065) 13.274 18.732 ( 6.647 1.544 4.386) 8.112 19.190 ( 18.982 3.078 -11.400) 22.355 20.508 ( -4.924 -3.584 20.747) 21.623 21.166 ( -7.008 -5.740 -12.390) 15.348 21.953 ( 4.348 2.315 9.734) 10.909 22.267 ( 2.182 2.900 -6.217) 7.198 ======================= Grid point 275 (97/125) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 5.358 -0.534 4.876) 7.264 3.077 ( 3.244 8.656 -8.901) 12.833 3.491 ( -11.404 15.575 6.726) 20.442 3.848 ( -7.279 6.466 -9.846) 13.846 4.366 ( 3.049 6.154 11.408) 13.316 4.509 ( 2.315 0.328 5.394) 5.879 5.169 ( 4.904 -10.697 2.385) 12.007 5.472 ( 1.781 -20.220 -11.995) 23.578 6.010 ( -4.194 8.052 21.970) 23.772 6.706 ( 0.038 0.556 -9.574) 9.590 7.319 ( -6.045 0.877 9.130) 10.985 7.506 ( -5.330 -2.550 -0.806) 5.963 8.002 ( 1.536 -4.711 8.802) 10.101 8.168 ( 1.260 -5.477 6.311) 8.451 8.582 ( 14.137 -3.778 7.270) 16.339 8.724 ( 4.327 -2.013 7.067) 8.528 9.032 ( -10.453 -2.657 16.510) 19.721 9.342 ( -2.080 -7.715 26.115) 27.310 9.746 ( -0.260 -3.460 -8.995) 9.641 10.322 ( -4.878 1.661 -14.635) 15.516 10.584 ( 5.450 -5.401 -5.054) 9.188 10.891 ( -9.413 -0.307 -1.425) 9.525 11.036 ( 7.985 1.655 -20.524) 22.085 11.235 ( -4.862 -4.649 -16.126) 17.473 11.477 ( -6.708 -2.941 5.264) 9.020 11.723 ( -3.120 -4.107 -3.352) 6.152 11.906 ( 1.090 -0.049 -0.562) 1.228 12.100 ( 3.825 6.696 -14.410) 16.343 12.282 ( -1.705 -0.308 5.263) 5.541 12.358 ( 0.643 -3.456 3.889) 5.242 12.780 ( -0.980 -0.759 -5.385) 5.526 12.916 ( 2.065 -5.974 -8.792) 10.828 13.311 ( -1.601 -1.207 5.270) 5.639 13.474 ( -0.984 -2.008 -2.949) 3.701 14.436 ( 9.436 3.339 10.083) 14.207 14.708 ( 7.546 3.322 -1.668) 8.412 14.804 ( 1.199 3.257 0.211) 3.477 14.832 ( -0.561 2.321 -3.424) 4.174 15.122 ( -13.968 -0.096 5.133) 14.882 15.419 ( -0.863 2.137 -1.844) 2.952 15.708 ( -4.607 -2.966 2.489) 6.018 15.772 ( -2.199 -4.215 5.930) 7.600 15.993 ( -2.326 -4.155 -4.837) 6.788 16.028 ( -2.021 -4.365 -14.046) 14.847 17.045 ( -0.166 5.901 2.599) 6.450 17.292 ( -0.439 8.450 -8.479) 11.979 18.454 ( 0.969 9.075 8.709) 12.615 18.678 ( 2.387 6.747 -1.389) 7.291 18.792 ( 6.244 5.024 13.028) 15.296 19.321 ( 10.793 7.045 -12.386) 17.875 20.525 ( -3.280 -6.098 22.518) 23.559 21.197 ( -5.022 -9.040 -11.638) 15.568 21.962 ( 3.232 3.475 9.531) 10.647 22.248 ( 2.341 3.657 -5.364) 6.901 ======================= Grid point 276 (98/125) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 0.000 4.017 -0.745) 4.086 2.920 ( 0.000 11.294 -5.174) 12.423 3.131 ( 0.000 18.242 11.451) 21.538 3.690 ( 0.000 5.552 -15.644) 16.600 4.319 ( 0.000 2.254 12.609) 12.808 4.537 ( -0.000 -1.300 3.071) 3.335 5.367 ( -0.000 -9.103 7.525) 11.810 5.792 ( -0.000 -19.360 -11.680) 22.611 5.917 ( 0.000 3.842 25.452) 25.740 6.719 ( 0.000 0.897 -11.087) 11.123 7.243 ( -0.000 -1.595 12.195) 12.299 7.502 ( -0.000 -4.283 -1.697) 4.607 7.946 ( 0.000 8.690 8.865) 12.414 8.311 ( -0.000 -6.808 2.334) 7.197 8.785 ( -0.000 -6.556 4.862) 8.162 8.927 ( -0.000 -7.767 -1.876) 7.990 8.995 ( -0.000 -11.782 22.057) 25.006 9.471 ( -0.000 -8.274 23.676) 25.080 9.769 ( -0.000 -4.061 -11.134) 11.852 10.239 ( 0.000 3.087 -10.168) 10.626 10.758 ( -0.000 -8.049 -6.737) 10.497 10.787 ( 0.000 2.024 4.314) 4.765 11.082 ( 0.000 4.162 -20.613) 21.029 11.290 ( -0.000 -7.987 -18.228) 19.901 11.450 ( -0.000 -1.430 8.861) 8.976 11.780 ( -0.000 -6.012 -2.405) 6.475 11.900 ( 0.000 1.235 -2.090) 2.428 12.006 ( 0.000 5.965 -13.551) 14.805 12.292 ( -0.000 -1.884 4.917) 5.265 12.423 ( -0.000 -3.380 1.280) 3.614 12.816 ( -0.000 -4.508 -1.778) 4.846 13.056 ( -0.000 -9.005 -9.824) 13.327 13.318 ( -0.000 -0.999 5.143) 5.239 13.486 ( -0.000 -0.514 -3.188) 3.230 14.451 ( 0.000 4.275 9.798) 10.690 14.767 ( 0.000 5.069 -6.297) 8.084 14.775 ( 0.000 4.758 3.053) 5.653 14.792 ( -0.000 -1.117 -0.919) 1.446 14.941 ( 0.000 0.821 3.840) 3.927 15.314 ( 0.000 8.062 -7.146) 10.774 15.770 ( -0.000 -7.648 6.289) 9.902 15.827 ( -0.000 -5.067 5.942) 7.809 16.043 ( -0.000 -4.757 -4.460) 6.521 16.101 ( -0.000 -6.400 -11.809) 13.432 16.933 ( 0.000 8.264 1.772) 8.452 17.137 ( 0.000 10.987 -7.533) 13.321 18.312 ( 0.000 10.048 7.702) 12.660 18.571 ( 0.000 8.976 -3.942) 9.803 18.735 ( 0.000 7.757 13.319) 15.414 19.259 ( 0.000 10.541 -12.207) 16.128 20.597 ( -0.000 -5.748 24.747) 25.406 21.296 ( -0.000 -7.996 -11.077) 13.662 21.932 ( 0.000 3.331 10.021) 10.560 22.218 ( 0.000 2.302 -5.240) 5.723 ======================= Grid point 283 (99/125) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 6.530 -0.000 9.071) 11.177 3.195 ( 4.977 -0.000 -11.829) 12.833 3.769 ( -4.747 0.000 4.568) 6.588 3.990 ( -6.057 0.000 -6.046) 8.558 4.495 ( 5.289 -0.000 11.462) 12.624 4.546 ( 3.607 -0.000 7.229) 8.079 5.036 ( -0.861 0.000 -6.224) 6.283 5.045 ( 1.669 -0.000 -7.594) 7.776 6.181 ( -12.987 0.000 17.415) 21.725 6.674 ( -3.463 0.000 -5.302) 6.333 7.377 ( -1.371 0.000 4.813) 5.004 7.466 ( -3.101 0.000 1.287) 3.357 7.786 ( 10.882 -0.000 10.771) 15.311 7.986 ( 0.607 -0.000 0.073) 0.612 8.654 ( -3.954 0.000 18.935) 19.343 8.705 ( -2.553 0.000 5.162) 5.759 9.062 ( 3.083 -0.000 17.434) 17.705 9.238 ( -5.530 0.000 28.415) 28.948 9.606 ( 1.168 -0.000 -4.028) 4.194 10.353 ( -2.905 0.000 -22.029) 22.220 10.501 ( 6.203 -0.000 -6.847) 9.239 10.875 ( -11.560 0.000 -0.157) 11.561 11.065 ( 4.970 -0.000 -28.567) 28.996 11.171 ( -8.154 0.000 -14.619) 16.739 11.400 ( -1.924 0.000 6.003) 6.304 11.675 ( -1.833 0.000 -6.379) 6.637 11.905 ( 5.180 -0.000 3.775) 6.410 12.203 ( 7.779 -0.000 -13.233) 15.350 12.287 ( -6.696 0.000 6.555) 9.370 12.312 ( 0.603 -0.000 2.477) 2.549 12.797 ( -4.824 0.000 -6.337) 7.964 12.806 ( 2.146 -0.000 -8.651) 8.913 13.296 ( -1.930 0.000 4.145) 4.572 13.423 ( -0.578 0.000 -2.221) 2.295 14.484 ( 9.331 -0.000 10.798) 14.271 14.727 ( 3.288 -0.000 -0.721) 3.367 14.871 ( -1.738 0.000 -2.519) 3.060 14.921 ( -1.611 0.000 -5.359) 5.596 15.102 ( -5.911 0.000 11.786) 13.186 15.410 ( 1.881 -0.000 2.826) 3.394 15.689 ( -4.904 0.000 -1.167) 5.041 15.706 ( -1.176 0.000 6.043) 6.157 15.927 ( -1.115 0.000 -4.573) 4.707 15.965 ( -4.261 0.000 -18.025) 18.522 17.139 ( 0.431 -0.000 3.007) 3.038 17.429 ( 0.027 -0.000 -9.819) 9.819 18.630 ( 1.598 -0.000 9.855) 9.984 18.782 ( 2.222 -0.000 1.321) 2.585 18.866 ( 8.056 -0.000 14.141) 16.275 19.429 ( 11.731 -0.000 -13.219) 17.674 20.413 ( -4.106 0.000 18.688) 19.134 21.025 ( -5.813 0.000 -12.000) 13.333 22.023 ( 2.988 -0.000 9.375) 9.840 22.315 ( 1.552 -0.000 -5.406) 5.624 ======================= Grid point 284 (100/125) ======================= q-point: (-0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.000 -0.601 7.391) 7.415 3.203 ( 0.000 3.901 -11.236) 11.893 3.633 ( 0.000 11.724 4.644) 12.610 3.881 ( 0.000 5.387 -7.646) 9.353 4.496 ( 0.000 6.228 10.370) 12.096 4.558 ( 0.000 1.701 7.850) 8.032 5.070 ( -0.000 -6.354 -2.070) 6.683 5.211 ( -0.000 -15.182 -8.834) 17.565 6.050 ( 0.000 3.941 19.897) 20.283 6.671 ( -0.000 -2.647 -8.582) 8.981 7.328 ( 0.000 3.929 6.957) 7.990 7.450 ( -0.000 -0.700 0.712) 0.999 7.919 ( -0.000 -6.459 10.727) 12.521 8.056 ( -0.000 -7.552 2.818) 8.060 8.625 ( -0.000 -2.112 10.461) 10.672 8.740 ( -0.000 -4.859 1.149) 4.993 9.006 ( 0.000 11.616 26.499) 28.934 9.211 ( -0.000 -5.648 27.869) 28.436 9.689 ( -0.000 -6.446 -5.835) 8.695 10.314 ( 0.000 1.705 -18.852) 18.929 10.575 ( -0.000 -1.955 -9.963) 10.153 10.785 ( -0.000 -1.590 2.480) 2.946 11.113 ( -0.000 -2.506 -12.812) 13.055 11.125 ( -0.000 -0.356 -31.474) 31.476 11.403 ( -0.000 -1.627 6.542) 6.741 11.669 ( -0.000 -1.053 -4.932) 5.044 11.936 ( 0.000 1.411 2.581) 2.941 12.232 ( 0.000 4.899 -16.044) 16.775 12.246 ( -0.000 -1.455 7.112) 7.259 12.319 ( -0.000 -1.785 4.181) 4.546 12.760 ( -0.000 -0.122 -5.639) 5.641 12.852 ( -0.000 -3.780 -9.363) 10.098 13.286 ( -0.000 -0.546 5.106) 5.135 13.435 ( -0.000 -1.921 -2.603) 3.235 14.549 ( 0.000 1.767 10.640) 10.786 14.757 ( -0.000 -0.573 0.685) 0.893 14.842 ( 0.000 0.494 -3.963) 3.993 14.889 ( 0.000 2.363 -6.638) 7.046 15.033 ( 0.000 3.093 13.533) 13.882 15.432 ( -0.000 -0.786 2.584) 2.701 15.652 ( 0.000 0.239 -0.994) 1.022 15.714 ( -0.000 -2.037 6.004) 6.340 15.935 ( -0.000 -1.997 -4.674) 5.082 15.957 ( -0.000 -2.585 -18.090) 18.273 17.117 ( 0.000 3.241 2.657) 4.191 17.393 ( 0.000 4.761 -9.523) 10.647 18.586 ( 0.000 6.625 9.716) 11.760 18.773 ( 0.000 3.365 0.253) 3.374 18.901 ( 0.000 2.873 14.677) 14.956 19.483 ( 0.000 3.838 -13.665) 14.194 20.416 ( -0.000 -4.257 19.511) 19.970 21.034 ( -0.000 -6.443 -11.579) 13.251 22.028 ( 0.000 2.064 9.275) 9.502 22.309 ( 0.000 2.195 -5.082) 5.536 ======================= Grid point 324 (101/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 0.000 0.000 -33.998) 33.998 2.833 ( 0.000 0.000 33.998) 33.998 2.846 ( 0.000 0.000 -31.713) 31.713 2.846 ( 0.000 0.000 31.713) 31.713 4.526 ( 0.000 0.000 -13.199) 13.199 4.526 ( 0.000 0.000 13.199) 13.199 5.847 ( 0.000 0.000 -27.207) 27.207 5.847 ( 0.000 0.000 27.207) 27.207 5.975 ( 0.000 0.000 -32.456) 32.456 5.975 ( 0.000 0.000 32.456) 32.456 8.142 ( 0.000 0.000 -1.577) 1.577 8.142 ( 0.000 0.000 1.577) 1.577 8.874 ( 0.000 0.000 -20.584) 20.584 8.874 ( 0.000 0.000 20.584) 20.584 9.205 ( 0.000 0.000 -7.077) 7.077 9.205 ( 0.000 0.000 7.077) 7.077 9.413 ( 0.000 0.000 -1.389) 1.389 9.413 ( 0.000 0.000 1.389) 1.389 9.950 ( 0.000 0.000 -18.144) 18.144 9.950 ( 0.000 0.000 18.144) 18.144 10.408 ( 0.000 0.000 -8.791) 8.791 10.408 ( 0.000 0.000 8.791) 8.791 10.842 ( 0.000 0.000 -3.918) 3.918 10.842 ( 0.000 0.000 3.918) 3.918 11.975 ( 0.000 0.000 -5.770) 5.770 11.975 ( 0.000 0.000 5.770) 5.770 12.786 ( 0.000 0.000 -13.200) 13.200 12.786 ( 0.000 0.000 13.200) 13.200 12.786 ( 0.000 0.000 -0.599) 0.599 12.786 ( 0.000 0.000 0.599) 0.599 13.110 ( 0.000 0.000 -7.154) 7.154 13.110 ( 0.000 0.000 7.154) 7.154 13.346 ( 0.000 0.000 -0.261) 0.261 13.346 ( 0.000 0.000 0.261) 0.261 14.206 ( 0.000 0.000 -3.884) 3.884 14.206 ( 0.000 0.000 3.884) 3.884 14.324 ( 0.000 0.000 -5.505) 5.505 14.324 ( 0.000 0.000 5.505) 5.505 15.227 ( 0.000 0.000 -3.304) 3.304 15.227 ( 0.000 0.000 3.304) 3.304 16.181 ( 0.000 0.000 -6.909) 6.909 16.181 ( 0.000 0.000 6.909) 6.909 16.323 ( 0.000 0.000 -5.216) 5.216 16.323 ( 0.000 0.000 5.216) 5.216 16.650 ( 0.000 0.000 -4.479) 4.479 16.650 ( 0.000 0.000 4.479) 4.479 17.667 ( 0.000 0.000 -2.364) 2.364 17.667 ( 0.000 0.000 2.364) 2.364 18.188 ( 0.000 0.000 -7.036) 7.036 18.188 ( 0.000 0.000 7.036) 7.036 20.903 ( 0.000 0.000 -17.008) 17.008 20.903 ( 0.000 0.000 17.008) 17.008 22.500 ( 0.000 0.000 -13.024) 13.024 22.500 ( 0.000 0.000 13.024) 13.024 ======================= Grid point 326 (102/125) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -8.233 6.700 -28.189) 30.121 2.706 ( -8.233 6.700 28.189) 30.121 2.940 ( 7.111 -5.506 -28.123) 29.526 2.940 ( 7.111 -5.506 28.123) 29.526 4.552 ( 0.930 -1.230 -9.688) 9.810 4.552 ( 0.930 -1.230 9.688) 9.810 5.887 ( -0.483 -5.784 -27.337) 27.947 5.887 ( -0.483 -5.784 27.337) 27.947 6.002 ( 3.992 -0.071 -27.446) 27.735 6.002 ( 3.992 -0.071 27.446) 27.735 8.043 ( -4.818 10.196 -3.227) 11.729 8.043 ( -4.818 10.196 3.227) 11.729 8.752 ( 2.420 14.238 -18.705) 23.631 8.752 ( 2.420 14.238 18.705) 23.631 9.066 ( -18.400 -1.208 -4.440) 18.966 9.066 ( -18.400 -1.208 4.440) 18.966 9.485 ( 1.985 -7.606 -12.936) 15.137 9.485 ( 1.985 -7.606 12.936) 15.137 10.107 ( 10.634 -4.836 -15.248) 19.209 10.107 ( 10.634 -4.836 15.248) 19.209 10.433 ( -3.534 -6.625 -6.250) 9.770 10.433 ( -3.534 -6.625 6.250) 9.770 10.823 ( 1.416 3.146 -3.291) 4.768 10.823 ( 1.416 3.146 3.291) 4.768 11.974 ( -0.273 0.300 -5.235) 5.251 11.974 ( -0.273 0.300 5.235) 5.251 12.527 ( -14.098 9.647 -6.013) 18.110 12.527 ( -14.098 9.647 6.013) 18.110 12.760 ( -1.897 1.945 -6.363) 6.919 12.760 ( -1.897 1.945 6.363) 6.919 13.278 ( 13.211 0.586 -8.313) 15.620 13.278 ( 13.211 0.586 8.313) 15.620 13.330 ( -1.544 0.785 -3.211) 3.648 13.330 ( -1.544 0.785 3.211) 3.648 14.122 ( -12.764 -2.638 -3.067) 13.390 14.122 ( -12.764 -2.638 3.067) 13.390 14.418 ( 6.488 -4.709 -3.875) 8.904 14.418 ( 6.488 -4.709 3.875) 8.904 15.207 ( 0.829 2.379 -1.978) 3.203 15.207 ( 0.829 2.379 1.978) 3.203 16.135 ( -5.977 -2.971 -5.398) 8.584 16.135 ( -5.977 -2.971 5.398) 8.584 16.433 ( 11.336 1.926 -5.624) 12.800 16.433 ( 11.336 1.926 5.624) 12.800 16.651 ( 4.852 2.255 -6.552) 8.459 16.651 ( 4.852 2.255 6.552) 8.459 17.732 ( 3.841 -4.439 -3.334) 6.751 17.732 ( 3.841 -4.439 3.334) 6.751 18.241 ( 1.983 -4.500 -6.877) 8.454 18.241 ( 1.983 -4.500 6.877) 8.454 20.928 ( 0.355 -2.959 -17.176) 17.433 20.928 ( 0.355 -2.959 17.176) 17.433 22.429 ( -4.267 5.068 -12.164) 13.851 22.429 ( -4.267 5.068 12.164) 13.851 ======================= Grid point 328 (103/125) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.799 5.051 -22.036) 23.111 2.504 ( -4.799 5.051 22.036) 23.111 3.193 ( 11.363 -10.450 -25.456) 29.771 3.193 ( 11.363 -10.450 25.456) 29.771 4.557 ( -1.667 0.120 -7.454) 7.639 4.557 ( -1.667 0.120 7.454) 7.639 5.925 ( -2.154 -0.648 -25.653) 25.751 5.925 ( -2.154 -0.648 25.653) 25.751 6.159 ( 10.986 -6.850 -24.650) 27.843 6.159 ( 10.986 -6.850 24.650) 27.843 7.671 ( -17.881 16.432 -5.723) 24.950 7.671 ( -17.881 16.432 5.723) 24.950 8.588 ( 7.712 17.831 -16.268) 25.339 8.588 ( 7.712 17.831 16.268) 25.339 8.840 ( -18.645 -4.741 -2.388) 19.386 8.840 ( -18.645 -4.741 2.388) 19.386 9.667 ( 4.350 -9.969 -12.473) 16.549 9.667 ( 4.350 -9.969 12.473) 16.549 10.202 ( -2.134 1.967 -20.377) 20.583 10.202 ( -2.134 1.967 20.377) 20.583 10.536 ( -2.061 -10.605 -5.166) 11.975 10.536 ( -2.061 -10.605 5.166) 11.975 10.821 ( 6.242 2.703 -4.582) 8.201 10.821 ( 6.242 2.703 4.582) 8.201 11.944 ( -2.708 1.155 -2.153) 3.647 11.944 ( -2.708 1.155 2.153) 3.647 12.246 ( -5.957 7.478 -6.679) 11.662 12.246 ( -5.957 7.478 6.679) 11.662 12.691 ( -3.026 2.188 -2.993) 4.785 12.691 ( -3.026 2.188 2.993) 4.785 13.225 ( -5.898 5.473 -8.214) 11.498 13.225 ( -5.898 5.473 8.214) 11.498 13.407 ( 8.051 1.977 -4.932) 9.646 13.407 ( 8.051 1.977 4.932) 9.646 13.989 ( -9.867 -1.383 -4.102) 10.774 13.989 ( -9.867 -1.383 4.102) 10.774 14.595 ( 4.307 -6.694 -2.138) 8.242 14.595 ( 4.307 -6.694 2.138) 8.242 15.213 ( 3.865 -0.009 -3.536) 5.239 15.213 ( 3.865 -0.009 3.536) 5.239 16.129 ( -3.011 -3.620 -3.531) 5.886 16.129 ( -3.011 -3.620 3.531) 5.886 16.476 ( 2.871 3.630 -7.263) 8.612 16.476 ( 2.871 3.630 7.263) 8.612 16.764 ( 14.088 1.883 -6.711) 15.718 16.764 ( 14.088 1.883 6.711) 15.718 17.882 ( 5.722 -6.148 -4.474) 9.516 17.882 ( 5.722 -6.148 4.474) 9.516 18.346 ( 1.300 -5.289 -6.163) 8.225 18.346 ( 1.300 -5.289 6.163) 8.225 21.005 ( 1.522 -5.485 -17.679) 18.573 21.005 ( 1.522 -5.485 17.679) 18.573 22.251 ( -6.668 7.694 -10.779) 14.827 22.251 ( -6.668 7.694 10.779) 14.827 ======================= Grid point 330 (104/125) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.825 -1.611 -11.323) 11.781 2.468 ( 2.825 -1.611 11.323) 11.781 3.536 ( 12.406 -11.729 -18.660) 25.292 3.536 ( 12.406 -11.729 18.660) 25.292 4.517 ( -1.836 0.952 -10.211) 10.418 4.517 ( -1.836 0.952 10.211) 10.418 5.895 ( -4.240 -2.088 -19.030) 19.608 5.895 ( -4.240 -2.088 19.030) 19.608 6.356 ( 10.193 8.356 -24.599) 27.907 6.356 ( 10.193 8.356 24.599) 27.907 7.236 ( -17.353 -1.165 -4.495) 17.963 7.236 ( -17.353 -1.165 4.495) 17.963 8.340 ( -1.521 20.199 -12.246) 23.670 8.340 ( -1.521 20.199 12.246) 23.670 8.740 ( -7.132 -3.733 -2.902) 8.557 8.740 ( -7.132 -3.733 2.902) 8.557 9.890 ( 5.035 -9.823 -5.138) 12.176 9.890 ( 5.035 -9.823 5.138) 12.176 10.065 ( -6.162 5.177 -11.322) 13.891 10.065 ( -6.162 5.177 11.322) 13.891 10.619 ( -5.588 -6.830 -11.366) 14.390 10.619 ( -5.588 -6.830 11.366) 14.390 10.897 ( 7.669 1.763 -5.552) 9.630 10.897 ( 7.669 1.763 5.552) 9.630 11.900 ( -2.136 -1.375 -2.519) 3.578 11.900 ( -2.136 -1.375 2.519) 3.578 12.127 ( 0.734 5.174 -9.545) 10.882 12.127 ( 0.734 5.174 9.545) 10.882 12.625 ( -2.521 1.335 -0.868) 2.981 12.625 ( -2.521 1.335 0.868) 2.981 13.024 ( -8.286 6.490 -6.887) 12.579 13.024 ( -8.286 6.490 6.887) 12.579 13.464 ( 3.968 0.965 -5.047) 6.492 13.464 ( 3.968 0.965 5.047) 6.492 13.909 ( -3.983 -0.264 -6.419) 7.559 13.909 ( -3.983 -0.264 6.419) 7.559 14.694 ( 0.317 -2.352 -1.401) 2.756 14.694 ( 0.317 -2.352 1.401) 2.756 15.322 ( 6.236 -4.311 -4.572) 8.853 15.322 ( 6.236 -4.311 4.572) 8.853 16.132 ( -2.081 -0.429 -0.164) 2.131 16.132 ( -2.081 -0.429 0.164) 2.131 16.465 ( 1.405 0.768 -5.925) 6.138 16.465 ( 1.405 0.768 5.925) 6.138 16.913 ( 11.377 2.200 -4.077) 12.284 16.913 ( 11.377 2.200 4.077) 12.284 18.059 ( 6.224 -5.897 -5.492) 10.181 18.059 ( 6.224 -5.897 5.492) 10.182 18.409 ( -1.475 -2.683 -4.984) 5.849 18.409 ( -1.475 -2.683 4.984) 5.849 21.131 ( 3.005 -6.539 -18.764) 20.096 21.131 ( 3.005 -6.539 18.764) 20.096 22.038 ( -6.738 7.552 -9.611) 13.957 22.038 ( -6.738 7.552 9.611) 13.957 ======================= Grid point 332 (105/125) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 3.014 -2.395 -9.811) 10.539 2.562 ( 3.014 -2.395 9.811) 10.539 3.809 ( 5.411 -5.320 -7.157) 10.431 3.809 ( 5.411 -5.320 7.157) 10.431 4.512 ( 1.242 -0.675 -13.921) 13.993 4.512 ( 1.242 -0.675 13.921) 13.993 5.886 ( -5.904 -5.939 -10.577) 13.490 5.886 ( -5.904 -5.939 10.577) 13.490 6.136 ( 0.127 17.477 -24.375) 29.993 6.136 ( 0.127 17.477 24.375) 29.993 7.347 ( 1.740 -16.600 -8.870) 18.901 7.347 ( 1.740 -16.600 8.870) 18.901 7.982 ( -5.323 16.867 -8.594) 19.664 7.982 ( -5.323 16.867 8.594) 19.664 8.717 ( -1.818 -0.858 -2.475) 3.189 8.717 ( -1.818 -0.858 2.475) 3.189 9.920 ( -2.149 2.782 -10.664) 11.228 9.920 ( -2.149 2.782 10.664) 11.228 10.088 ( 2.534 -5.205 -9.485) 11.112 10.088 ( 2.534 -5.205 9.485) 11.112 10.615 ( -3.484 -1.953 -15.051) 15.572 10.615 ( -3.484 -1.953 15.051) 15.572 10.943 ( 2.747 1.378 -3.318) 4.522 10.943 ( 2.747 1.378 3.318) 4.522 11.926 ( 0.001 -2.395 -3.367) 4.132 11.926 ( 0.001 -2.395 3.367) 4.132 12.079 ( 0.991 2.759 -12.227) 12.573 12.079 ( 0.991 2.759 12.227) 12.573 12.586 ( -0.972 0.579 -3.388) 3.572 12.586 ( -0.972 0.579 3.388) 3.572 12.858 ( -3.966 2.804 -4.068) 6.335 12.858 ( -3.966 2.804 4.068) 6.335 13.489 ( 1.177 0.249 -5.605) 5.733 13.489 ( 1.177 0.249 5.605) 5.733 13.879 ( -0.899 0.035 -7.902) 7.953 13.879 ( -0.899 0.035 7.902) 7.953 14.706 ( -0.402 -0.201 -1.598) 1.660 14.706 ( -0.402 -0.201 1.598) 1.660 15.457 ( 3.184 -2.927 -2.215) 4.859 15.457 ( 3.184 -2.927 2.215) 4.859 16.093 ( -1.228 1.239 -4.885) 5.188 16.093 ( -1.228 1.239 4.885) 5.188 16.483 ( 0.606 -0.608 -2.458) 2.604 16.483 ( 0.606 -0.608 2.458) 2.604 16.995 ( 4.220 1.038 -1.586) 4.626 16.995 ( 4.220 1.038 1.586) 4.626 18.211 ( 4.428 -3.365 -6.390) 8.471 18.211 ( 4.428 -3.365 6.390) 8.471 18.391 ( -2.861 0.267 -3.998) 4.923 18.391 ( -2.861 0.267 3.998) 4.923 21.257 ( 2.211 -3.730 -20.807) 21.254 21.257 ( 2.211 -3.730 20.807) 21.254 21.869 ( -3.492 3.907 -7.759) 9.362 21.869 ( -3.492 3.907 7.759) 9.362 ======================= Grid point 344 (106/125) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -5.952 0.000 -4.918) 7.721 2.698 ( -5.952 0.000 4.918) 7.721 2.928 ( 5.033 -0.000 -3.678) 6.234 2.928 ( 5.033 -0.000 3.678) 6.234 4.550 ( -0.726 0.000 -5.168) 5.219 4.550 ( -0.726 0.000 5.168) 5.219 5.880 ( 5.226 -0.000 -29.001) 29.468 5.880 ( 5.226 -0.000 29.001) 29.468 6.063 ( 6.062 -0.000 -26.950) 27.624 6.063 ( 6.062 -0.000 26.950) 27.624 8.078 ( -6.338 0.000 -3.751) 7.365 8.078 ( -6.338 0.000 3.751) 7.365 8.632 ( -28.377 0.000 -0.158) 28.377 8.632 ( -28.377 0.000 0.158) 28.377 8.948 ( 1.546 -0.000 -20.446) 20.504 8.948 ( 1.546 -0.000 20.446) 20.504 9.489 ( 5.864 -0.000 -3.618) 6.890 9.489 ( 5.864 -0.000 3.618) 6.890 10.206 ( 4.999 -0.000 -11.349) 12.401 10.206 ( 4.999 -0.000 11.349) 12.401 10.319 ( -3.213 0.000 -7.218) 7.901 10.319 ( -3.213 0.000 7.218) 7.901 10.881 ( 4.294 -0.000 -10.232) 11.097 10.881 ( 4.294 -0.000 10.232) 11.097 11.969 ( -1.331 0.000 -4.787) 4.969 11.969 ( -1.331 0.000 4.787) 4.969 12.404 ( -13.436 0.000 -0.982) 13.472 12.404 ( -13.436 0.000 0.982) 13.472 12.656 ( -9.934 0.000 -10.454) 14.422 12.656 ( -9.934 0.000 10.454) 14.422 13.298 ( -3.854 0.000 -1.357) 4.086 13.298 ( -3.854 0.000 1.357) 4.086 13.516 ( 11.841 -0.000 -7.178) 13.847 13.516 ( 11.841 -0.000 7.178) 13.847 13.969 ( -4.726 0.000 -0.096) 4.727 13.969 ( -4.726 0.000 0.096) 4.727 14.453 ( 5.522 -0.000 -2.975) 6.273 14.453 ( 5.522 -0.000 2.975) 6.273 15.219 ( -0.900 0.000 -1.365) 1.635 15.219 ( -0.900 0.000 1.365) 1.635 16.045 ( -3.758 0.000 -4.177) 5.619 16.045 ( -3.758 0.000 4.177) 5.619 16.545 ( 0.977 -0.000 -0.927) 1.347 16.545 ( 0.977 -0.000 0.927) 1.347 16.792 ( 13.885 -0.000 -8.474) 16.267 16.792 ( 13.885 -0.000 8.474) 16.267 17.794 ( 9.663 -0.000 -0.239) 9.666 17.794 ( 9.663 -0.000 0.239) 9.666 18.260 ( 5.427 -0.000 -5.326) 7.604 18.260 ( 5.427 -0.000 5.326) 7.604 20.910 ( 0.705 -0.000 -17.431) 17.445 20.910 ( 0.705 -0.000 17.431) 17.445 22.387 ( -7.318 0.000 -11.950) 14.013 22.387 ( -7.318 0.000 11.950) 14.013 ======================= Grid point 346 (107/125) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -1.515 6.201 -15.232) 16.516 2.562 ( -1.515 6.201 15.232) 16.516 3.136 ( 9.273 -11.754 -18.085) 23.478 3.136 ( 9.273 -11.754 18.085) 23.478 4.526 ( -2.425 -0.097 -4.751) 5.335 4.526 ( -2.425 -0.097 4.751) 5.335 5.906 ( -2.424 1.517 -20.502) 20.700 5.906 ( -2.424 1.517 20.502) 20.700 6.266 ( 18.495 -5.620 -16.442) 25.377 6.266 ( 18.495 -5.620 16.442) 25.377 7.690 ( -23.470 20.614 -8.287) 32.318 7.690 ( -23.470 20.614 8.287) 32.318 8.438 ( -16.913 -13.080 -4.179) 21.785 8.438 ( -16.913 -13.080 4.179) 21.785 8.905 ( 4.602 11.089 -22.226) 25.261 8.905 ( 4.602 11.089 22.226) 25.261 9.591 ( 2.313 -5.693 -8.741) 10.685 9.591 ( 2.313 -5.693 8.741) 10.685 10.163 ( -6.610 0.694 -17.064) 18.313 10.163 ( -6.610 0.694 17.064) 18.313 10.378 ( -0.738 -6.466 -5.819) 8.730 10.378 ( -0.738 -6.466 5.819) 8.730 10.960 ( 9.089 1.450 -14.224) 16.942 10.960 ( 9.089 1.450 14.224) 16.942 11.913 ( -5.016 1.816 -1.337) 5.500 11.913 ( -5.016 1.816 1.337) 5.500 12.247 ( -4.713 2.054 -3.215) 6.064 12.247 ( -4.713 2.054 3.215) 6.064 12.534 ( -12.844 -4.359 -6.404) 14.999 12.534 ( -12.844 -4.359 6.404) 14.999 13.198 ( -7.844 3.507 -5.073) 9.978 13.198 ( -7.844 3.507 5.073) 9.978 13.539 ( -0.455 2.663 -3.045) 4.070 13.539 ( -0.455 2.663 3.045) 4.070 13.994 ( 8.448 3.687 -7.341) 11.783 13.994 ( 8.448 3.687 7.341) 11.783 14.574 ( 5.997 -4.072 -1.925) 7.500 14.574 ( 5.997 -4.072 1.925) 7.500 15.221 ( 0.399 -2.061 -4.381) 4.858 15.221 ( 0.399 -2.061 4.381) 4.858 16.029 ( -2.741 -3.462 -3.312) 5.520 16.029 ( -2.741 -3.462 3.312) 5.520 16.500 ( -4.760 1.129 -4.238) 6.472 16.500 ( -4.760 1.129 4.238) 6.472 16.976 ( 12.580 1.031 -8.001) 14.944 16.976 ( 12.580 1.031 8.001) 14.944 17.965 ( 13.533 -0.807 -3.121) 13.912 17.965 ( 13.533 -0.807 3.121) 13.912 18.357 ( 6.448 -0.837 -3.524) 7.396 18.357 ( 6.448 -0.837 3.524) 7.396 20.953 ( 1.593 -3.687 -17.827) 18.274 20.953 ( 1.593 -3.687 17.827) 18.274 22.245 ( -7.745 4.422 -10.940) 14.115 22.245 ( -7.745 4.422 10.940) 14.115 ======================= Grid point 348 (108/125) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 5.924 1.340 -10.193) 11.866 2.537 ( 5.924 1.340 10.193) 11.866 3.484 ( 11.335 -13.687 -14.918) 23.203 3.484 ( 11.335 -13.687 14.918) 23.203 4.498 ( -1.328 0.048 -9.503) 9.596 4.498 ( -1.328 0.048 9.503) 9.596 5.792 ( -10.473 0.993 -14.902) 18.241 5.792 ( -10.473 0.993 14.902) 18.241 6.651 ( 22.314 -0.533 -19.076) 29.361 6.651 ( 22.314 -0.533 19.076) 29.361 7.044 ( -22.734 12.251 -5.576) 26.420 7.044 ( -22.734 12.251 5.576) 26.420 8.410 ( -10.364 -4.644 -4.310) 12.147 8.410 ( -10.364 -4.644 4.310) 12.147 8.733 ( -0.548 13.864 -13.252) 19.187 8.733 ( -0.548 13.864 13.252) 19.187 9.745 ( -0.619 -12.997 -8.728) 15.668 9.745 ( -0.619 -12.997 8.728) 15.668 10.047 ( -5.004 3.345 -12.126) 13.537 10.047 ( -5.004 3.345 12.126) 13.537 10.449 ( -2.870 -6.475 -9.862) 12.141 10.449 ( -2.870 -6.475 9.862) 12.141 11.055 ( 8.343 3.273 -12.822) 15.644 11.055 ( 8.343 3.273 12.822) 15.644 11.834 ( -3.685 -1.279 -2.915) 4.869 11.834 ( -3.685 -1.279 2.915) 4.869 12.190 ( -1.322 2.094 -8.309) 8.670 12.190 ( -1.322 2.094 8.309) 8.670 12.451 ( -11.538 -7.198 -0.531) 13.609 12.451 ( -11.538 -7.198 0.531) 13.609 12.997 ( -9.041 5.900 -6.639) 12.674 12.997 ( -9.041 5.900 6.639) 12.674 13.507 ( -0.892 0.192 -2.309) 2.483 13.507 ( -0.892 0.192 2.309) 2.483 14.032 ( 10.289 7.968 -9.218) 15.947 14.032 ( 10.289 7.968 9.218) 15.947 14.682 ( 2.800 -1.404 -1.642) 3.537 14.682 ( 2.800 -1.404 1.642) 3.537 15.311 ( 3.511 -5.652 -5.576) 8.681 15.311 ( 3.511 -5.652 5.576) 8.681 16.057 ( -2.803 -4.194 -1.601) 5.293 16.057 ( -2.803 -4.194 1.601) 5.293 16.408 ( -8.057 -1.322 -6.489) 10.429 16.408 ( -8.057 -1.322 6.489) 10.429 17.080 ( 6.698 2.818 -6.501) 9.751 17.080 ( 6.698 2.818 6.501) 9.751 18.168 ( 15.118 0.346 -5.610) 16.129 18.168 ( 15.118 0.346 5.610) 16.129 18.431 ( 4.710 1.679 -2.308) 5.507 18.431 ( 4.710 1.679 2.308) 5.507 21.062 ( 2.040 -6.769 -18.510) 19.815 21.062 ( 2.040 -6.769 18.510) 19.815 22.065 ( -5.409 6.702 -9.837) 13.074 22.065 ( -5.409 6.702 9.837) 13.074 ======================= Grid point 350 (109/125) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 6.559 1.070 -9.415) 11.525 2.624 ( 6.559 1.070 9.415) 11.525 3.778 ( 5.209 -6.825 -6.447) 10.737 3.778 ( 5.209 -6.825 6.447) 10.737 4.502 ( -0.127 -1.104 -12.889) 12.937 4.502 ( -0.127 -1.104 12.889) 12.937 5.636 ( -14.053 -6.490 -10.774) 18.860 5.636 ( -14.053 -6.490 10.774) 18.860 6.407 ( -5.714 19.625 -17.351) 26.811 6.407 ( -5.714 19.625 17.351) 26.811 7.242 ( 18.027 -15.156 -7.137) 24.609 7.242 ( 18.027 -15.156 7.137) 24.609 8.194 ( -5.187 19.109 -9.963) 22.166 8.194 ( -5.187 19.109 9.963) 22.166 8.601 ( -6.596 -5.373 -2.029) 8.746 8.601 ( -6.596 -5.373 2.029) 8.746 9.893 ( -6.570 -6.777 -23.392) 25.225 9.893 ( -6.570 -6.777 23.392) 25.225 9.990 ( 2.383 -3.056 -24.789) 25.090 9.990 ( 2.383 -3.056 24.789) 25.090 10.512 ( -0.521 -5.477 -13.326) 14.417 10.512 ( -0.521 -5.477 13.326) 14.417 11.063 ( 3.489 5.896 -9.384) 11.618 11.063 ( 3.489 5.896 9.384) 11.618 11.857 ( -0.780 -4.449 -3.780) 5.890 11.857 ( -0.780 -4.449 3.780) 5.890 12.117 ( -4.541 2.116 -10.490) 11.625 12.117 ( -4.541 2.116 10.490) 11.625 12.442 ( -7.067 -7.619 -2.381) 10.661 12.442 ( -7.067 -7.619 2.381) 10.661 12.830 ( -4.274 2.335 -5.752) 7.537 12.830 ( -4.274 2.335 5.752) 7.537 13.497 ( -1.107 -0.233 -3.166) 3.361 13.497 ( -1.107 -0.233 3.166) 3.361 14.042 ( 10.698 9.207 -9.016) 16.748 14.042 ( 10.698 9.207 9.016) 16.748 14.710 ( 1.208 0.317 -1.573) 2.009 14.710 ( 1.208 0.317 1.573) 2.009 15.440 ( 2.104 -4.126 -3.898) 6.053 15.440 ( 2.104 -4.126 3.898) 6.053 16.056 ( -3.576 -1.526 -4.120) 5.665 16.056 ( -3.576 -1.526 4.120) 5.665 16.345 ( -10.017 -6.932 -5.208) 13.248 16.345 ( -10.017 -6.932 5.208) 13.248 17.072 ( 0.582 4.576 -4.773) 6.638 17.072 ( 0.582 4.576 4.773) 6.638 18.331 ( 10.126 3.745 -7.194) 12.973 18.331 ( 10.126 3.745 7.194) 12.973 18.448 ( 6.652 3.787 -3.348) 8.355 18.448 ( 6.652 3.787 3.348) 8.355 21.188 ( -0.109 -6.878 -19.969) 21.121 21.188 ( -0.109 -6.878 19.969) 21.121 21.921 ( -0.312 5.938 -8.172) 10.106 21.921 ( -0.312 5.938 8.172) 10.106 ======================= Grid point 352 (110/125) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.566 6.470 -8.449) 10.756 2.624 ( 1.566 6.470 8.449) 10.756 3.773 ( -9.761 3.694 -7.862) 13.066 3.773 ( -9.761 3.694 7.862) 13.066 4.484 ( -2.452 -0.614 -11.459) 11.734 4.484 ( -2.452 -0.614 11.459) 11.734 5.744 ( -0.656 -18.886 -16.405) 25.024 5.744 ( -0.656 -18.886 16.405) 25.024 6.158 ( 2.194 9.883 -21.938) 24.161 6.158 ( 2.194 9.883 21.938) 24.161 7.639 ( 13.828 2.827 -11.814) 18.406 7.639 ( 13.828 2.827 11.814) 18.406 7.852 ( -4.332 4.439 -8.809) 10.774 7.852 ( -4.332 4.439 8.809) 10.774 8.679 ( 1.834 -8.213 -3.250) 9.021 8.679 ( 1.834 -8.213 3.250) 9.021 9.881 ( -3.672 -4.490 -24.559) 25.234 9.881 ( -3.672 -4.490 24.559) 25.234 10.054 ( -2.509 -1.560 -22.450) 22.644 10.054 ( -2.509 -1.560 22.450) 22.644 10.616 ( 3.156 -5.278 -14.370) 15.630 10.616 ( 3.156 -5.278 14.370) 15.630 10.993 ( 0.740 6.548 -8.483) 10.742 10.993 ( 0.740 6.548 8.483) 10.742 11.902 ( -1.683 -2.665 -3.242) 4.522 11.902 ( -1.683 -2.665 3.242) 4.522 12.025 ( -6.095 -0.916 -11.278) 12.852 12.025 ( -6.095 -0.916 11.278) 12.852 12.470 ( -4.821 -6.455 -2.627) 8.474 12.470 ( -4.821 -6.455 2.627) 8.474 12.843 ( 3.473 -4.498 -5.290) 7.764 12.843 ( 3.473 -4.498 5.290) 7.764 13.477 ( -1.723 0.496 -3.820) 4.220 13.477 ( -1.723 0.496 3.820) 4.220 14.055 ( 11.669 8.677 -7.757) 16.481 14.055 ( 11.669 8.677 7.757) 16.481 14.723 ( 1.530 0.310 -1.061) 1.887 14.723 ( 1.530 0.310 1.061) 1.887 15.439 ( -5.282 2.080 -0.095) 5.678 15.439 ( -5.282 2.080 0.095) 5.678 16.049 ( -1.946 -3.794 -6.062) 7.411 16.049 ( -1.946 -3.794 6.062) 7.411 16.332 ( -10.077 -8.630 -3.194) 13.646 16.332 ( -10.077 -8.630 3.194) 13.646 16.966 ( -4.323 5.688 -3.306) 7.872 16.966 ( -4.323 5.688 3.306) 7.872 18.289 ( 0.495 8.103 -6.474) 10.383 18.289 ( 0.495 8.103 6.474) 10.383 18.529 ( 11.440 5.100 -7.007) 14.352 18.529 ( 11.440 5.100 7.007) 14.352 21.231 ( -3.808 -1.876 -20.534) 20.968 21.231 ( -3.808 -1.876 20.534) 20.968 21.905 ( 5.431 0.544 -7.434) 9.222 21.905 ( 5.431 0.544 7.434) 9.222 ======================= Grid point 354 (111/125) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 2.217 6.408 -10.428) 12.439 2.528 ( 2.217 6.408 10.428) 12.439 3.468 ( -18.373 7.566 -19.769) 28.029 3.468 ( -18.373 7.566 19.769) 28.029 4.511 ( 1.726 -2.694 -8.061) 8.673 4.511 ( 1.726 -2.694 8.061) 8.673 5.921 ( -2.386 -3.968 -17.548) 18.149 5.921 ( -2.386 -3.968 17.548) 18.149 6.207 ( 5.932 -3.885 -24.391) 25.401 6.207 ( 5.932 -3.885 24.391) 25.401 7.537 ( 11.272 10.718 -10.161) 18.579 7.537 ( 11.272 10.718 10.161) 18.579 8.021 ( -4.341 -16.280 -7.802) 18.568 8.021 ( -4.341 -16.280 7.802) 18.568 8.869 ( 10.725 -4.147 -3.496) 12.018 8.869 ( 10.725 -4.147 3.496) 12.018 9.901 ( -5.453 -0.178 -8.712) 10.280 9.901 ( -5.453 -0.178 8.712) 10.280 10.030 ( 0.230 -4.429 -12.091) 12.879 10.030 ( 0.230 -4.429 12.091) 12.879 10.716 ( 2.115 -1.747 -13.023) 13.309 10.716 ( 2.115 -1.747 13.023) 13.309 10.884 ( -0.707 8.062 -9.176) 12.235 10.884 ( -0.707 8.062 9.176) 12.235 11.905 ( -1.209 -2.110 -2.712) 3.643 11.905 ( -1.209 -2.110 2.712) 3.643 12.016 ( -3.159 -6.533 -11.824) 13.874 12.016 ( -3.159 -6.533 11.824) 13.874 12.507 ( -4.525 -6.825 -1.604) 8.344 12.507 ( -4.525 -6.825 1.604) 8.344 13.020 ( 7.127 -7.489 -7.527) 12.788 13.020 ( 7.127 -7.489 7.527) 12.788 13.431 ( -2.590 1.693 -3.969) 5.032 13.431 ( -2.590 1.693 3.969) 5.032 14.110 ( 14.319 6.908 -5.988) 16.989 14.110 ( 14.319 6.908 5.988) 16.989 14.730 ( 0.621 1.776 -0.260) 1.899 14.730 ( 0.621 1.776 0.260) 1.899 15.266 ( -11.104 3.624 -1.951) 11.842 15.266 ( -11.104 3.624 1.951) 11.842 16.110 ( -0.017 -4.888 -2.116) 5.327 16.110 ( -0.017 -4.888 2.116) 5.327 16.327 ( -8.415 -7.550 -1.201) 11.369 16.327 ( -8.415 -7.550 1.201) 11.369 16.795 ( -7.258 5.829 -2.178) 9.561 16.795 ( -7.258 5.829 2.178) 9.561 18.143 ( -1.139 9.896 -6.839) 12.083 18.143 ( -1.139 9.896 6.839) 12.083 18.558 ( 7.164 8.161 -8.508) 13.795 18.558 ( 7.164 8.161 8.508) 13.795 21.164 ( -3.498 3.062 -18.982) 19.542 21.164 ( -3.498 3.062 18.982) 19.543 22.028 ( 6.236 -5.022 -8.818) 11.911 22.028 ( 6.236 -5.022 8.818) 11.911 ======================= Grid point 356 (112/125) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 8.716 -0.894 -21.605) 23.313 2.558 ( 8.716 -0.894 21.605) 23.313 3.118 ( -15.815 6.245 -26.670) 31.629 3.118 ( -15.815 6.245 26.670) 31.629 4.567 ( 1.165 -1.106 -6.991) 7.173 4.567 ( 1.165 -1.106 6.991) 7.173 5.932 ( -0.899 -1.748 -23.700) 23.782 5.932 ( -0.899 -1.748 23.700) 23.782 6.205 ( -0.172 8.244 -28.257) 29.436 6.205 ( -0.172 8.244 28.257) 29.436 7.720 ( 14.711 -5.840 -2.184) 15.978 7.720 ( 14.711 -5.840 2.184) 15.978 8.173 ( -9.933 -19.259 -10.978) 24.292 8.173 ( -9.933 -19.259 10.978) 24.292 9.068 ( 10.724 -2.139 -5.092) 12.063 9.068 ( 10.724 -2.139 5.092) 12.063 9.759 ( -2.528 8.323 -14.894) 17.248 9.759 ( -2.528 8.323 14.894) 17.248 10.153 ( -0.933 -6.482 -28.447) 29.191 10.153 ( -0.933 -6.482 28.447) 29.191 10.711 ( 0.296 5.297 -13.479) 14.486 10.711 ( 0.296 5.297 13.479) 14.486 10.745 ( -1.565 4.990 -6.834) 8.605 10.745 ( -1.565 4.990 6.834) 8.605 11.942 ( 0.556 -2.192 -2.673) 3.501 11.942 ( 0.556 -2.192 2.673) 3.501 12.160 ( 2.970 -13.177 -11.221) 17.560 12.160 ( 2.970 -13.177 11.221) 17.560 12.554 ( -4.994 -7.827 -0.529) 9.300 12.554 ( -4.994 -7.827 0.529) 9.300 13.213 ( 4.968 -5.641 -8.545) 11.381 13.213 ( 4.968 -5.641 8.545) 11.381 13.356 ( -3.152 2.948 -4.662) 6.353 13.356 ( -3.152 2.948 4.662) 6.353 14.236 ( 16.727 4.999 -3.883) 17.885 14.236 ( 16.727 4.999 3.883) 17.885 14.631 ( -6.527 7.181 -0.205) 9.706 14.631 ( -6.527 7.181 0.205) 9.706 15.115 ( -7.099 -2.329 -1.248) 7.575 15.115 ( -7.099 -2.329 1.248) 7.575 16.177 ( 1.477 -2.815 -3.456) 4.696 16.177 ( 1.477 -2.815 3.456) 4.696 16.338 ( -5.528 -5.604 -5.212) 9.441 16.338 ( -5.528 -5.604 5.212) 9.441 16.615 ( -6.668 3.861 -2.700) 8.164 16.615 ( -6.668 3.861 2.700) 8.164 17.971 ( -1.228 10.232 -6.717) 12.301 17.971 ( -1.228 10.232 6.717) 12.301 18.478 ( 2.192 10.177 -8.906) 13.700 18.478 ( 2.192 10.177 8.906) 13.700 21.067 ( -1.332 4.889 -17.761) 18.469 21.067 ( -1.332 4.889 17.761) 18.469 22.200 ( 3.798 -7.948 -10.060) 13.372 22.200 ( 3.798 -7.948 10.060) 13.372 ======================= Grid point 358 (113/125) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -0.000 -5.951 -29.231) 29.831 2.717 ( -0.000 -5.951 29.231) 29.831 2.901 ( 0.000 4.290 -31.676) 31.965 2.901 ( 0.000 4.290 31.676) 31.965 4.570 ( 0.000 1.340 -8.219) 8.327 4.570 ( 0.000 1.340 8.219) 8.327 5.951 ( -0.000 -1.429 -28.925) 28.960 5.951 ( -0.000 -1.429 28.925) 28.960 6.042 ( 0.000 10.965 -31.080) 32.958 6.042 ( 0.000 10.965 31.080) 32.958 7.937 ( -0.000 -8.742 -2.886) 9.206 7.937 ( -0.000 -8.742 2.886) 9.206 8.428 ( -0.000 -22.376 -15.546) 27.246 8.428 ( -0.000 -22.376 15.546) 27.246 9.187 ( -0.000 -1.745 -6.576) 6.803 9.187 ( -0.000 -1.745 6.576) 6.803 9.613 ( 0.000 8.797 -16.728) 18.900 9.613 ( 0.000 8.797 16.728) 18.900 10.126 ( 0.000 6.158 -23.725) 24.511 10.126 ( 0.000 6.158 23.725) 24.511 10.585 ( 0.000 9.555 -1.866) 9.735 10.585 ( 0.000 9.555 1.866) 9.735 10.747 ( -0.000 -4.455 -7.167) 8.439 10.747 ( -0.000 -4.455 7.167) 8.439 11.969 ( -0.000 -0.831 -4.501) 4.578 11.969 ( -0.000 -0.831 4.501) 4.578 12.448 ( -0.000 -16.694 -12.680) 20.963 12.448 ( -0.000 -16.694 12.680) 20.963 12.623 ( -0.000 -7.855 -0.745) 7.890 12.623 ( -0.000 -7.855 0.745) 7.890 13.257 ( 0.000 5.334 -7.441) 9.155 13.257 ( 0.000 5.334 7.441) 9.155 13.318 ( -0.000 -2.832 -6.274) 6.884 13.318 ( -0.000 -2.832 6.274) 6.884 14.366 ( 0.000 2.626 -6.296) 6.822 14.366 ( 0.000 2.626 6.296) 6.822 14.378 ( 0.000 9.436 -2.569) 9.779 14.378 ( 0.000 9.436 2.569) 9.779 15.135 ( -0.000 -4.899 -2.477) 5.489 15.135 ( -0.000 -4.899 2.477) 5.489 16.260 ( -0.000 -3.899 -5.209) 6.507 16.260 ( -0.000 -3.899 5.209) 6.507 16.284 ( 0.000 4.317 -7.821) 8.934 16.284 ( 0.000 4.317 7.821) 8.934 16.566 ( -0.000 -3.439 -6.828) 7.645 16.566 ( -0.000 -3.439 6.828) 7.645 17.813 ( 0.000 8.727 -5.862) 10.513 17.813 ( 0.000 8.727 5.862) 10.513 18.337 ( 0.000 9.033 -8.242) 12.228 18.337 ( 0.000 9.033 8.242) 12.228 20.985 ( 0.000 4.678 -17.238) 17.862 20.985 ( 0.000 4.678 17.238) 17.862 22.354 ( -0.000 -8.150 -11.201) 13.852 22.354 ( -0.000 -8.150 11.201) 13.852 ======================= Grid point 364 (114/125) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.040 -0.000 -6.507) 6.507 2.594 ( 0.040 -0.000 6.507) 6.507 3.210 ( 15.862 -0.000 -2.049) 15.994 3.210 ( 15.862 -0.000 2.049) 15.994 4.503 ( -0.689 0.000 -2.953) 3.032 4.503 ( -0.689 0.000 2.953) 3.032 5.837 ( -11.139 0.000 -9.649) 14.737 5.837 ( -11.139 0.000 9.649) 14.737 6.510 ( 23.615 -0.000 -6.368) 24.459 6.510 ( 23.615 -0.000 6.368) 24.459 7.517 ( -29.354 0.000 -3.177) 29.525 7.517 ( -29.354 0.000 3.177) 29.525 8.122 ( -9.338 0.000 -6.891) 11.605 8.122 ( -9.338 0.000 6.891) 11.605 9.058 ( 5.333 -0.000 -24.257) 24.837 9.058 ( 5.333 -0.000 24.257) 24.837 9.530 ( -5.885 0.000 -3.926) 7.075 9.530 ( -5.885 0.000 3.926) 7.075 10.063 ( -6.986 0.000 -23.132) 24.164 10.063 ( -6.986 0.000 23.132) 24.164 10.336 ( 1.196 -0.000 -2.028) 2.354 10.336 ( 1.196 -0.000 2.028) 2.354 11.104 ( 9.911 -0.000 -18.190) 20.715 11.104 ( 9.911 -0.000 18.190) 20.715 11.856 ( -5.739 0.000 -0.424) 5.754 11.856 ( -5.739 0.000 0.424) 5.754 12.149 ( -11.680 0.000 -1.212) 11.743 12.149 ( -11.680 0.000 1.212) 11.743 12.353 ( -5.762 0.000 -1.413) 5.933 12.353 ( -5.762 0.000 1.413) 5.933 13.111 ( -9.356 0.000 -5.054) 10.633 13.111 ( -9.356 0.000 5.054) 10.633 13.505 ( -4.108 0.000 -1.537) 4.386 13.505 ( -4.108 0.000 1.537) 4.386 14.189 ( 11.568 -0.000 -12.984) 17.390 14.189 ( 11.568 -0.000 12.984) 17.390 14.653 ( 9.096 -0.000 -0.723) 9.124 14.653 ( 9.096 -0.000 0.723) 9.124 15.196 ( -0.104 0.000 -4.760) 4.761 15.196 ( -0.104 0.000 4.760) 4.761 15.964 ( -2.708 0.000 -3.952) 4.791 15.964 ( -2.708 0.000 3.952) 4.791 16.401 ( -10.107 0.000 -1.820) 10.269 16.401 ( -10.107 0.000 1.820) 10.269 17.125 ( 7.951 -0.000 -8.427) 11.586 17.125 ( 7.951 -0.000 8.427) 11.586 18.185 ( 18.170 -0.000 -5.372) 18.948 18.185 ( 18.170 -0.000 5.372) 18.948 18.461 ( 8.237 -0.000 -1.043) 8.303 18.461 ( 8.237 -0.000 1.043) 8.303 20.944 ( 1.212 -0.000 -17.891) 17.932 20.944 ( 1.212 -0.000 17.891) 17.932 22.181 ( -6.211 0.000 -10.547) 12.240 22.181 ( -6.211 0.000 10.547) 12.240 ======================= Grid point 366 (115/125) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 6.524 -0.085 -10.490) 12.354 2.632 ( 6.524 -0.085 10.490) 12.354 3.510 ( 17.213 -7.102 -6.617) 19.761 3.510 ( 17.213 -7.102 6.617) 19.761 4.502 ( 1.219 0.865 -6.299) 6.474 4.502 ( 1.219 0.865 6.299) 6.474 5.598 ( -21.261 1.166 -6.220) 22.183 5.598 ( -21.261 1.166 6.220) 22.183 6.862 ( 10.771 -5.573 -7.621) 14.324 6.862 ( 10.771 -5.573 7.621) 14.324 7.043 ( -5.992 15.952 -13.286) 21.608 7.043 ( -5.992 15.952 13.286) 21.608 8.113 ( -9.722 -12.490 -6.286) 17.030 8.113 ( -9.722 -12.490 6.286) 17.030 8.972 ( -1.259 17.149 -18.475) 25.239 8.972 ( -1.259 17.149 18.475) 25.239 9.506 ( -6.784 -11.297 -13.584) 18.926 9.506 ( -6.784 -11.297 13.584) 18.926 10.002 ( -4.131 -1.641 -21.344) 21.802 10.002 ( -4.131 -1.641 21.344) 21.802 10.382 ( 2.784 -1.891 -6.712) 7.508 10.382 ( 2.784 -1.891 6.712) 7.508 11.201 ( 5.688 2.658 -16.403) 17.564 11.201 ( 5.688 2.658 16.403) 17.564 11.774 ( -3.986 -0.045 -2.162) 4.534 11.774 ( -3.986 -0.045 2.162) 4.534 12.018 ( -14.281 -6.834 -4.436) 16.442 12.018 ( -14.281 -6.834 4.436) 16.442 12.330 ( 0.943 0.303 -4.003) 4.123 12.330 ( 0.943 0.303 4.003) 4.123 12.950 ( -8.932 3.559 -6.460) 11.584 12.950 ( -8.932 3.559 6.460) 11.584 13.467 ( -2.805 -1.188 -2.076) 3.687 13.467 ( -2.805 -1.188 2.076) 3.687 14.293 ( 10.251 4.952 -12.327) 16.780 14.293 ( 10.251 4.952 12.327) 16.780 14.749 ( 5.882 2.407 -1.972) 6.654 14.749 ( 5.882 2.407 1.972) 6.654 15.259 ( 2.648 -5.889 -4.875) 8.091 15.259 ( 2.648 -5.889 4.875) 8.091 15.954 ( -2.997 -3.378 -3.819) 5.915 15.954 ( -2.997 -3.378 3.819) 5.915 16.241 ( -13.444 -0.470 -4.219) 14.098 16.241 ( -13.444 -0.470 4.219) 14.098 17.187 ( 3.464 2.219 -7.920) 8.924 17.187 ( 3.464 2.219 7.920) 8.924 18.429 ( 18.637 2.190 -8.007) 20.402 18.429 ( 18.637 2.190 8.007) 20.402 18.552 ( 7.410 2.101 -1.777) 7.904 18.552 ( 7.410 2.101 1.777) 7.904 20.984 ( -0.633 -4.534 -17.941) 18.516 20.984 ( -0.633 -4.534 17.941) 18.516 22.092 ( -2.235 3.621 -9.674) 10.568 22.092 ( -2.235 3.621 9.674) 10.568 ======================= Grid point 368 (116/125) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 7.856 0.773 -9.822) 12.601 2.741 ( 7.856 0.773 9.822) 12.601 3.785 ( 6.891 -2.532 -3.468) 8.119 3.785 ( 6.891 -2.532 3.468) 8.119 4.496 ( -0.492 1.560 -8.607) 8.761 4.496 ( -0.492 1.560 8.607) 8.761 5.334 ( -15.343 -6.103 -6.929) 17.907 5.334 ( -15.343 -6.103 6.929) 17.907 6.564 ( -8.569 14.048 -14.037) 21.629 6.564 ( -8.569 14.048 14.037) 21.629 7.328 ( 18.468 -8.349 -7.582) 21.639 7.328 ( 18.468 -8.349 7.582) 21.639 8.203 ( -5.551 -11.921 -4.139) 13.786 8.203 ( -5.551 -11.921 4.139) 13.786 8.604 ( -4.521 19.913 -11.444) 23.408 8.604 ( -4.521 19.913 11.444) 23.408 9.624 ( -6.453 -12.542 -15.781) 21.166 9.624 ( -6.453 -12.542 15.781) 21.166 9.988 ( -1.436 -1.574 -21.744) 21.848 9.988 ( -1.436 -1.574 21.744) 21.848 10.471 ( 4.728 -3.393 -8.947) 10.673 10.471 ( 4.728 -3.393 8.947) 10.673 11.163 ( -1.896 4.525 -10.015) 11.153 11.163 ( -1.896 4.525 10.015) 11.153 11.780 ( -2.343 -5.075 -4.035) 6.894 11.780 ( -2.343 -5.075 4.035) 6.894 11.946 ( -9.942 -4.601 -4.567) 11.869 11.946 ( -9.942 -4.601 4.567) 11.869 12.350 ( 1.465 -0.537 -3.003) 3.384 12.350 ( 1.465 -0.537 3.003) 3.384 12.808 ( -4.130 1.722 -5.907) 7.410 12.808 ( -4.130 1.722 5.907) 7.410 13.456 ( -2.248 -1.644 -3.298) 4.317 13.456 ( -2.248 -1.644 3.298) 4.317 14.337 ( 10.919 7.744 -10.442) 16.977 14.337 ( 10.919 7.744 10.442) 16.977 14.758 ( 2.565 2.749 -1.269) 3.968 14.758 ( 2.565 2.749 1.269) 3.968 15.389 ( 1.081 -5.205 -4.668) 7.075 15.389 ( 1.081 -5.205 4.668) 7.075 15.963 ( -4.464 -2.947 -4.216) 6.811 15.963 ( -4.464 -2.947 4.216) 6.811 16.080 ( -13.346 -4.821 -5.068) 15.068 16.080 ( -13.346 -4.821 5.068) 15.068 17.153 ( 0.069 5.260 -6.794) 8.592 17.153 ( 0.069 5.260 6.794) 8.592 18.519 ( 5.259 6.850 -4.872) 9.915 18.519 ( 5.259 6.850 4.872) 9.915 18.679 ( 16.466 3.653 -7.995) 18.666 18.679 ( 16.466 3.653 7.995) 18.666 21.051 ( -3.624 -7.500 -18.489) 20.279 21.051 ( -3.624 -7.500 18.489) 20.279 22.025 ( 2.598 5.036 -8.288) 10.040 22.025 ( 2.598 5.036 8.288) 10.040 ======================= Grid point 370 (117/125) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 4.034 6.591 -6.410) 10.040 2.770 ( 4.034 6.591 6.410) 10.040 3.685 ( -13.829 7.215 -10.200) 18.637 3.685 ( -13.829 7.215 10.200) 18.637 4.458 ( 0.142 0.480 -7.103) 7.121 4.458 ( 0.142 0.480 7.103) 7.121 5.478 ( 3.552 -18.292 -12.985) 22.712 5.478 ( 3.552 -18.292 12.985) 22.712 6.332 ( 0.974 9.093 -20.015) 22.005 6.332 ( 0.974 9.093 20.015) 22.005 7.589 ( -1.919 -8.655 -5.509) 10.438 7.589 ( -1.919 -8.655 5.509) 10.438 8.116 ( 1.385 16.046 -14.784) 21.862 8.116 ( 1.385 16.046 14.784) 21.862 8.579 ( 9.950 -10.733 -2.515) 14.850 8.579 ( 9.950 -10.733 2.515) 14.850 9.667 ( -9.539 -8.702 -18.939) 22.922 9.667 ( -9.539 -8.702 18.939) 22.922 10.004 ( -2.214 -2.480 -23.905) 24.135 10.004 ( -2.214 -2.480 23.905) 24.135 10.611 ( 6.768 -4.054 -9.352) 12.235 10.611 ( 6.768 -4.054 9.352) 12.235 11.060 ( -3.577 3.058 -8.561) 9.769 11.060 ( -3.577 3.058 8.561) 9.769 11.805 ( -8.186 -6.178 -8.790) 13.507 11.805 ( -8.186 -6.178 8.790) 13.507 11.887 ( -2.835 -0.198 -2.181) 3.582 11.887 ( -2.835 -0.198 2.181) 3.582 12.380 ( 0.258 -1.699 -2.542) 3.068 12.380 ( 0.258 -1.699 2.542) 3.068 12.820 ( 2.692 -4.500 -5.580) 7.657 12.820 ( 2.692 -4.500 5.580) 7.657 13.447 ( -2.063 -0.833 -3.933) 4.519 13.447 ( -2.063 -0.833 3.933) 4.519 14.368 ( 12.532 8.665 -7.947) 17.184 14.368 ( 12.532 8.665 7.947) 17.184 14.757 ( 1.820 1.115 -0.437) 2.179 14.757 ( 1.820 1.115 0.437) 2.179 15.370 ( -8.954 1.765 -3.517) 9.781 15.370 ( -8.954 1.765 3.517) 9.781 15.936 ( -4.094 -5.073 -6.237) 9.022 15.936 ( -4.094 -5.073 6.237) 9.022 16.059 ( -7.618 -8.434 -4.300) 12.152 16.059 ( -7.618 -8.434 4.300) 12.152 17.036 ( -1.898 8.181 -5.479) 10.028 17.036 ( -1.898 8.181 5.479) 10.028 18.438 ( 1.653 9.232 -6.301) 11.299 18.438 ( 1.653 9.232 6.301) 11.299 18.804 ( 13.073 7.178 -10.779) 18.401 18.804 ( 13.073 7.178 10.779) 18.401 21.102 ( -4.975 -6.715 -18.950) 20.711 21.102 ( -4.975 -6.715 18.950) 20.711 22.014 ( 5.207 3.406 -7.337) 9.620 22.014 ( 5.207 3.406 7.337) 9.620 ======================= Grid point 372 (118/125) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 3.449 8.214 -6.698) 11.145 2.690 ( 3.449 8.214 6.698) 11.145 3.338 ( -15.109 8.657 -18.760) 25.597 3.338 ( -15.109 8.657 18.760) 25.597 4.496 ( 1.946 -2.301 -6.567) 7.226 4.496 ( 1.946 -2.301 6.567) 7.226 5.760 ( -0.348 -11.930 -15.822) 19.819 5.760 ( -0.348 -11.930 15.822) 19.819 6.321 ( 7.612 2.305 -22.523) 23.886 6.321 ( 7.612 2.305 22.523) 23.886 7.592 ( -8.020 -7.913 -7.550) 13.563 7.592 ( -8.020 -7.913 7.550) 13.563 7.987 ( 6.378 10.467 -14.562) 19.034 7.987 ( 6.378 10.467 14.562) 19.034 8.901 ( 9.664 -8.930 -4.026) 13.760 8.901 ( 9.664 -8.930 4.026) 13.760 9.720 ( -4.388 -13.583 -20.414) 24.909 9.720 ( -4.388 -13.583 20.414) 24.909 9.969 ( -4.587 0.982 -18.565) 19.148 9.969 ( -4.587 0.982 18.565) 19.148 10.744 ( 5.281 -1.017 -7.699) 9.391 10.744 ( 5.281 -1.017 7.699) 9.391 10.972 ( -2.429 3.875 -12.428) 13.242 10.972 ( -2.429 3.875 12.428) 13.242 11.785 ( -5.591 -6.766 -10.251) 13.495 11.785 ( -5.591 -6.766 10.251) 13.495 11.889 ( -1.274 -3.116 -3.076) 4.560 11.889 ( -1.274 -3.116 3.076) 4.560 12.407 ( -0.589 -2.114 -3.313) 3.974 12.407 ( -0.589 -2.114 3.313) 3.974 12.981 ( 4.415 -8.496 -7.860) 12.387 12.981 ( 4.415 -8.496 7.860) 12.387 13.421 ( -1.743 0.847 -4.003) 4.447 13.421 ( -1.743 0.847 4.003) 4.447 14.428 ( 13.940 7.150 -5.740) 16.685 14.428 ( 13.940 7.150 5.740) 16.685 14.763 ( 0.635 1.435 -0.936) 1.827 14.763 ( 0.635 1.435 0.936) 1.827 15.143 ( -13.826 4.224 -4.073) 15.020 15.143 ( -13.826 4.224 4.073) 15.020 16.012 ( 0.142 -6.828 -1.574) 7.008 16.012 ( 0.142 -6.828 1.574) 7.008 16.094 ( -5.672 -8.446 -0.403) 10.182 16.094 ( -5.672 -8.446 0.403) 10.182 16.865 ( -2.144 10.059 -4.315) 11.153 16.865 ( -2.144 10.059 4.315) 11.153 18.297 ( 0.165 10.648 -7.183) 12.845 18.297 ( 0.165 10.648 7.183) 12.845 18.804 ( 6.329 10.328 -11.694) 16.837 18.804 ( 6.329 10.328 11.694) 16.837 21.120 ( -2.924 -2.853 -18.620) 19.062 21.120 ( -2.924 -2.853 18.620) 19.062 22.056 ( 3.749 -0.523 -7.788) 8.659 22.056 ( 3.749 -0.523 7.788) 8.659 ======================= Grid point 374 (119/125) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 0.000 2.631 -16.313) 16.524 2.645 ( 0.000 2.631 16.313) 16.524 3.087 ( 0.000 7.958 -24.656) 25.908 3.087 ( 0.000 7.958 24.656) 25.908 4.549 ( -0.000 -2.457 -6.601) 7.043 4.549 ( -0.000 -2.457 6.601) 7.043 5.870 ( -0.000 -5.060 -20.737) 21.346 5.870 ( -0.000 -5.060 20.737) 21.346 6.327 ( 0.000 5.452 -25.092) 25.677 6.327 ( 0.000 5.452 25.092) 25.677 7.758 ( -0.000 -18.613 -8.827) 20.600 7.758 ( -0.000 -18.613 8.827) 20.600 7.885 ( 0.000 6.977 -9.383) 11.693 7.885 ( 0.000 6.977 9.383) 11.693 9.072 ( -0.000 -5.747 -5.604) 8.027 9.072 ( -0.000 -5.747 5.604) 8.027 9.860 ( 0.000 6.332 -15.673) 16.904 9.860 ( 0.000 6.332 15.673) 16.904 9.960 ( -0.000 -16.194 -26.703) 31.230 9.960 ( -0.000 -16.194 26.703) 31.230 10.755 ( 0.000 3.412 -10.285) 10.836 10.755 ( 0.000 3.412 10.285) 10.836 10.869 ( 0.000 7.416 -12.426) 14.470 10.869 ( 0.000 7.416 12.426) 14.470 11.882 ( -0.000 -7.283 -4.733) 8.686 11.882 ( -0.000 -7.283 4.733) 8.686 11.962 ( -0.000 -10.246 -9.767) 14.155 11.962 ( -0.000 -10.246 9.767) 14.155 12.439 ( -0.000 -3.497 -2.044) 4.050 12.439 ( -0.000 -3.497 2.044) 4.050 13.147 ( -0.000 -8.100 -8.524) 11.759 13.147 ( -0.000 -8.100 8.524) 11.759 13.380 ( 0.000 2.673 -4.196) 4.976 13.380 ( 0.000 2.673 4.196) 4.976 14.477 ( 0.000 4.534 -7.412) 8.689 14.477 ( 0.000 4.534 7.412) 8.689 14.671 ( 0.000 8.235 -5.909) 10.136 14.671 ( 0.000 8.235 5.909) 10.136 15.010 ( -0.000 -1.775 -2.915) 3.413 15.010 ( -0.000 -1.775 2.915) 3.413 16.109 ( -0.000 -5.585 -5.375) 7.751 16.109 ( -0.000 -5.585 5.375) 7.751 16.186 ( -0.000 -8.770 -6.451) 10.887 16.186 ( -0.000 -8.770 6.451) 10.887 16.692 ( 0.000 9.865 -2.888) 10.279 16.692 ( 0.000 9.865 2.888) 10.279 18.129 ( 0.000 11.121 -7.340) 13.325 18.129 ( 0.000 11.121 7.340) 13.325 18.672 ( 0.000 11.868 -10.987) 16.173 18.672 ( 0.000 11.868 10.987) 16.173 21.109 ( 0.000 1.728 -18.100) 18.182 21.109 ( 0.000 1.728 18.100) 18.182 22.125 ( -0.000 -4.987 -8.987) 10.278 22.125 ( -0.000 -4.987 8.987) 10.278 ======================= Grid point 384 (120/125) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 9.074 -0.000 -12.231) 15.229 2.734 ( 9.074 -0.000 12.231) 15.229 3.713 ( 17.796 -0.000 -0.112) 17.797 3.713 ( 17.796 -0.000 0.112) 17.797 4.542 ( 2.443 -0.000 -3.613) 4.361 4.542 ( 2.443 -0.000 3.613) 4.361 5.274 ( -24.804 0.000 -2.427) 24.922 5.274 ( -24.804 0.000 2.427) 24.922 6.809 ( -11.267 0.000 -0.171) 11.268 6.809 ( -11.267 0.000 0.171) 11.268 7.261 ( 16.693 -0.000 -3.445) 17.044 7.261 ( 16.693 -0.000 3.445) 17.044 7.875 ( -7.456 0.000 -8.227) 11.103 7.875 ( -7.456 0.000 8.227) 11.103 9.138 ( -10.623 0.000 -6.973) 12.707 9.138 ( -10.623 0.000 6.973) 12.707 9.269 ( 1.145 -0.000 -8.723) 8.797 9.269 ( 1.145 -0.000 8.723) 8.797 9.929 ( -3.146 0.000 -27.233) 27.414 9.929 ( -3.146 0.000 27.233) 27.414 10.429 ( 4.818 -0.000 -11.845) 12.787 10.429 ( 4.818 -0.000 11.845) 12.787 11.252 ( -3.359 0.000 -15.053) 15.424 11.252 ( -3.359 0.000 15.053) 15.424 11.664 ( -10.164 0.000 -3.773) 10.842 11.664 ( -10.164 0.000 3.773) 10.842 11.858 ( 0.230 -0.000 -3.177) 3.185 11.858 ( 0.230 -0.000 3.177) 3.185 12.362 ( 2.161 -0.000 -5.541) 5.948 12.362 ( 2.161 -0.000 5.541) 5.948 12.857 ( -8.213 0.000 -5.963) 10.149 12.857 ( -8.213 0.000 5.963) 10.149 13.418 ( -2.502 0.000 -2.057) 3.239 13.418 ( -2.502 0.000 2.057) 3.239 14.448 ( 8.199 -0.000 -11.255) 13.924 14.448 ( 8.199 -0.000 11.255) 13.924 14.855 ( 3.808 -0.000 -2.862) 4.763 14.855 ( 3.808 -0.000 2.862) 4.763 15.250 ( 4.134 -0.000 -0.009) 4.134 15.250 ( 4.134 -0.000 0.009) 4.134 15.887 ( -2.845 0.000 -4.953) 5.712 15.887 ( -2.845 0.000 4.953) 5.712 16.042 ( -14.872 0.000 -4.945) 15.672 16.042 ( -14.872 0.000 4.945) 15.672 17.238 ( 1.418 -0.000 -8.263) 8.383 17.238 ( 1.418 -0.000 8.263) 8.383 18.656 ( 5.779 -0.000 -2.254) 6.203 18.656 ( 5.779 -0.000 2.254) 6.203 18.719 ( 19.467 -0.000 -10.541) 22.138 18.719 ( 19.467 -0.000 10.541) 22.138 20.913 ( -4.343 0.000 -17.161) 17.702 20.913 ( -4.343 0.000 17.161) 17.702 22.114 ( 1.416 -0.000 -9.072) 9.182 22.114 ( 1.416 -0.000 9.072) 9.182 ======================= Grid point 386 (121/125) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 8.283 0.403 -11.156) 13.900 2.860 ( 8.283 0.403 11.156) 13.900 3.866 ( 1.940 3.296 -5.040) 6.327 3.866 ( 1.940 3.296 5.040) 6.327 4.540 ( 1.327 3.169 -2.498) 4.248 4.540 ( 1.327 3.169 2.498) 4.248 5.068 ( -7.244 -6.989 -4.256) 10.929 5.068 ( -7.244 -6.989 4.256) 10.929 6.596 ( -9.865 6.164 -11.870) 16.620 6.596 ( -9.865 6.164 11.870) 16.620 7.437 ( 6.151 -0.942 -4.135) 7.471 7.437 ( 6.151 -0.942 4.135) 7.471 7.946 ( 1.713 -12.615 -7.959) 15.013 7.946 ( 1.713 -12.615 7.959) 15.013 8.828 ( -6.797 13.389 -7.175) 16.642 8.828 ( -6.797 13.389 7.175) 16.642 9.414 ( 1.195 -7.057 -16.478) 17.966 9.414 ( 1.195 -7.057 16.478) 17.966 9.911 ( -3.528 -2.653 -26.797) 27.158 9.911 ( -3.528 -2.653 26.797) 27.158 10.509 ( 5.398 -1.999 -13.485) 14.663 10.509 ( 5.398 -1.999 13.485) 14.663 11.119 ( -11.072 1.259 -8.662) 14.114 11.119 ( -11.072 1.259 8.662) 14.114 11.606 ( -5.481 -4.768 -6.358) 9.654 11.606 ( -5.481 -4.768 6.358) 9.654 11.910 ( 4.957 0.326 -4.697) 6.837 11.910 ( 4.957 0.326 4.697) 6.837 12.374 ( 0.389 0.670 -3.336) 3.425 12.374 ( 0.389 0.670 3.336) 3.425 12.762 ( -4.141 -0.105 -4.124) 5.846 12.762 ( -4.141 -0.105 4.124) 5.846 13.401 ( -1.895 -1.470 -3.254) 4.042 13.401 ( -1.895 -1.470 3.254) 4.042 14.542 ( 8.499 2.219 -9.154) 12.687 14.542 ( 8.499 2.219 9.154) 12.687 14.843 ( 0.592 3.756 -1.414) 4.057 14.843 ( 0.592 3.756 1.414) 4.057 15.335 ( 1.567 -2.806 -5.580) 6.439 15.335 ( 1.567 -2.806 5.580) 6.439 15.851 ( -10.699 -0.745 -6.202) 12.389 15.851 ( -10.699 -0.745 6.202) 12.389 15.876 ( -4.140 -3.140 -5.634) 7.664 15.876 ( -4.140 -3.140 5.634) 7.664 17.223 ( 0.063 3.392 -7.741) 8.452 17.223 ( 0.063 3.392 7.741) 8.452 18.679 ( 3.773 5.370 -4.173) 7.777 18.679 ( 3.773 5.370 4.173) 7.777 18.952 ( 15.916 2.221 -12.553) 20.392 18.952 ( 15.916 2.221 12.553) 20.392 20.879 ( -6.170 -5.385 -16.863) 18.746 20.879 ( -6.170 -5.385 16.863) 18.746 22.128 ( 3.500 2.590 -8.023) 9.128 22.128 ( 3.500 2.590 8.023) 9.128 ======================= Grid point 388 (122/125) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 3.621 4.416 -7.788) 9.657 2.909 ( 3.621 4.416 7.788) 9.657 3.653 ( -10.428 11.127 -9.478) 17.955 3.653 ( -10.428 11.127 9.478) 17.955 4.516 ( 2.869 3.905 -3.932) 6.240 4.516 ( 2.869 3.905 3.932) 6.240 5.273 ( 4.608 -16.579 -8.029) 18.988 5.273 ( 4.608 -16.579 8.029) 18.988 6.429 ( -2.016 3.814 -18.673) 19.165 6.429 ( -2.016 3.814 18.673) 19.165 7.453 ( -5.008 -1.305 -4.672) 6.972 7.453 ( -5.008 -1.305 4.672) 6.972 8.154 ( 0.475 -7.044 -5.913) 9.209 8.154 ( 0.475 -7.044 5.913) 9.209 8.706 ( 9.297 1.666 -5.060) 10.715 8.706 ( 9.297 1.666 5.060) 10.715 9.454 ( -5.173 -2.308 -19.258) 20.074 9.454 ( -5.173 -2.308 19.258) 20.074 9.912 ( -3.268 -4.001 -26.041) 26.549 9.912 ( -3.268 -4.001 26.041) 26.549 10.644 ( 6.226 -4.656 -12.645) 14.843 10.644 ( 6.226 -4.656 12.645) 14.843 10.982 ( -7.987 -1.221 -8.565) 11.774 10.982 ( -7.987 -1.221 8.565) 11.774 11.616 ( -4.060 -4.837 -7.331) 9.676 11.616 ( -4.060 -4.837 7.331) 9.676 11.928 ( 2.064 4.123 -3.780) 5.962 11.928 ( 2.064 4.123 3.780) 5.962 12.372 ( -0.082 -0.711 -2.889) 2.976 12.372 ( -0.082 -0.711 2.889) 2.976 12.772 ( 0.488 -4.321 -4.740) 6.432 12.772 ( 0.488 -4.321 4.740) 6.432 13.404 ( -1.209 -1.581 -4.161) 4.612 13.404 ( -1.209 -1.581 4.161) 4.612 14.615 ( 8.883 4.008 -7.568) 12.339 14.615 ( 8.883 4.008 7.568) 12.339 14.796 ( -0.451 1.823 -0.388) 1.917 14.796 ( -0.451 1.823 0.388) 1.917 15.289 ( -6.980 4.113 -9.876) 12.774 15.289 ( -6.980 4.113 9.876) 12.774 15.802 ( -2.704 -5.923 -7.139) 9.662 15.802 ( -2.704 -5.923 7.139) 9.662 15.895 ( -2.640 -4.485 -5.255) 7.396 15.895 ( -2.640 -4.485 5.255) 7.396 17.139 ( -0.502 6.966 -6.691) 9.672 17.139 ( -0.502 6.966 6.691) 9.672 18.603 ( 1.490 8.949 -6.023) 10.890 18.603 ( 1.490 8.949 6.023) 10.890 19.061 ( 8.710 6.008 -13.837) 17.419 19.061 ( 8.710 6.008 13.837) 17.419 20.916 ( -4.147 -8.560 -17.131) 19.594 20.916 ( -4.147 -8.560 17.131) 19.594 22.127 ( 2.934 3.483 -7.199) 8.518 22.127 ( 2.934 3.483 7.199) 8.518 ======================= Grid point 390 (123/125) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.000 7.574 -3.069) 8.172 2.836 ( 0.000 7.574 3.069) 8.172 3.389 ( 0.000 11.707 -14.629) 18.736 3.389 ( 0.000 11.707 14.629) 18.736 4.498 ( 0.000 0.824 -5.807) 5.866 4.498 ( 0.000 0.824 5.807) 5.866 5.558 ( -0.000 -15.300 -11.451) 19.111 5.558 ( -0.000 -15.300 11.451) 19.111 6.403 ( 0.000 1.026 -21.466) 21.491 6.403 ( 0.000 1.026 21.466) 21.491 7.425 ( -0.000 -3.327 -6.405) 7.217 7.425 ( -0.000 -3.327 6.405) 7.217 8.165 ( 0.000 4.958 -12.261) 13.225 8.165 ( 0.000 4.958 12.261) 13.225 8.870 ( -0.000 -6.563 -3.712) 7.540 8.870 ( -0.000 -6.563 3.712) 7.540 9.469 ( -0.000 -9.934 -21.289) 23.493 9.469 ( -0.000 -9.934 21.289) 23.493 9.936 ( -0.000 -1.686 -21.109) 21.176 9.936 ( -0.000 -1.686 21.109) 21.176 10.767 ( -0.000 -3.301 -8.979) 9.567 10.767 ( -0.000 -3.301 8.979) 9.567 10.948 ( -0.000 -1.683 -13.187) 13.294 10.948 ( -0.000 -1.683 13.187) 13.294 11.654 ( -0.000 -4.681 -10.090) 11.123 11.654 ( -0.000 -4.681 10.090) 11.123 11.878 ( 0.000 2.382 -0.898) 2.546 11.878 ( 0.000 2.382 0.898) 2.546 12.386 ( -0.000 -0.905 -4.241) 4.337 12.386 ( -0.000 -0.905 4.241) 4.337 12.880 ( -0.000 -8.063 -7.342) 10.905 12.880 ( -0.000 -8.063 7.342) 10.905 13.412 ( -0.000 -0.513 -4.358) 4.388 13.412 ( -0.000 -0.513 4.358) 4.388 14.626 ( 0.000 4.806 -8.067) 9.391 14.626 ( 0.000 4.806 8.067) 9.391 14.784 ( 0.000 0.190 -0.243) 0.308 14.784 ( 0.000 0.190 0.243) 0.308 15.118 ( 0.000 7.436 -11.517) 13.709 15.118 ( 0.000 7.436 11.517) 13.709 15.908 ( -0.000 -8.582 -8.058) 11.772 15.908 ( -0.000 -8.582 8.058) 11.772 15.943 ( -0.000 -4.959 -5.668) 7.531 15.943 ( -0.000 -4.959 5.668) 7.531 17.006 ( 0.000 9.600 -5.520) 11.074 17.006 ( 0.000 9.600 5.520) 11.074 18.461 ( 0.000 10.465 -7.015) 12.599 18.461 ( 0.000 10.465 7.015) 12.599 19.003 ( 0.000 9.126 -13.676) 16.442 19.003 ( 0.000 9.126 13.676) 16.442 21.015 ( -0.000 -7.530 -17.770) 19.299 21.015 ( -0.000 -7.530 17.770) 19.299 22.100 ( 0.000 2.569 -7.124) 7.573 22.100 ( 0.000 2.569 7.124) 7.573 ======================= Grid point 404 (124/125) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 5.537 -0.000 -11.362) 12.640 2.964 ( 5.537 -0.000 11.362) 12.640 3.871 ( -6.063 0.000 -5.775) 8.374 3.871 ( -6.063 0.000 5.775) 8.374 4.612 ( 4.503 -0.000 -0.898) 4.592 4.612 ( 4.503 -0.000 0.898) 4.592 4.970 ( 1.508 -0.000 -0.032) 1.508 4.970 ( 1.508 -0.000 0.032) 1.508 6.497 ( -9.022 0.000 -13.157) 15.953 6.497 ( -9.022 0.000 13.157) 15.953 7.450 ( -1.717 0.000 -2.473) 3.010 7.450 ( -1.717 0.000 2.473) 3.010 7.934 ( 7.819 -0.000 -5.031) 9.298 7.934 ( 7.819 -0.000 5.031) 9.298 8.781 ( -8.948 0.000 -1.262) 9.037 8.781 ( -8.948 0.000 1.262) 9.037 9.463 ( 8.089 -0.000 -14.830) 16.893 9.463 ( 8.089 -0.000 14.830) 16.893 9.834 ( -4.530 0.000 -29.761) 30.104 9.834 ( -4.530 0.000 29.761) 30.104 10.547 ( 3.170 -0.000 -16.353) 16.657 10.547 ( 3.170 -0.000 16.353) 16.657 10.962 ( -10.147 0.000 -8.125) 12.999 10.962 ( -10.147 0.000 8.125) 12.999 11.533 ( -1.379 0.000 -7.450) 7.576 11.533 ( -1.379 0.000 7.450) 7.576 12.003 ( 6.201 -0.000 -6.795) 9.199 12.003 ( 6.201 -0.000 6.795) 9.199 12.364 ( -2.354 0.000 -0.021) 2.354 12.364 ( -2.354 0.000 0.021) 2.354 12.714 ( -1.884 0.000 -0.378) 1.921 12.714 ( -1.884 0.000 0.378) 1.921 13.369 ( -0.965 0.000 -3.237) 3.378 13.369 ( -0.965 0.000 3.237) 3.378 14.665 ( 7.761 -0.000 -6.672) 10.235 14.665 ( 7.761 -0.000 6.672) 10.235 14.845 ( -4.106 0.000 -0.984) 4.222 14.845 ( -4.106 0.000 0.984) 4.222 15.354 ( 2.175 -0.000 -10.487) 10.710 15.354 ( 2.175 -0.000 10.487) 10.710 15.705 ( -7.394 0.000 -5.302) 9.099 15.705 ( -7.394 0.000 5.302) 9.099 15.825 ( -1.356 0.000 -5.691) 5.850 15.825 ( -1.356 0.000 5.691) 5.850 17.250 ( -0.036 0.000 -7.950) 7.950 17.250 ( -0.036 0.000 7.950) 7.950 18.764 ( 2.060 -0.000 -3.689) 4.225 18.764 ( 2.060 -0.000 3.689) 4.225 19.152 ( 9.950 -0.000 -14.709) 17.759 19.152 ( 9.950 -0.000 14.709) 17.759 20.753 ( -5.063 0.000 -15.764) 16.557 20.753 ( -5.063 0.000 15.764) 16.557 22.190 ( 2.399 -0.000 -7.475) 7.850 22.190 ( 2.399 -0.000 7.475) 7.850 ======================= Grid point 406 (125/125) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 0.000 2.083 -10.284) 10.493 2.988 ( 0.000 2.083 10.284) 10.493 3.741 ( 0.000 9.013 -6.412) 11.061 3.741 ( 0.000 9.013 6.412) 11.061 4.612 ( 0.000 4.395 -1.798) 4.748 4.612 ( 0.000 4.395 1.798) 4.748 5.087 ( -0.000 -11.685 -3.704) 12.259 5.087 ( -0.000 -11.685 3.704) 12.259 6.426 ( 0.000 0.467 -16.619) 16.625 6.426 ( 0.000 0.467 16.619) 16.625 7.425 ( 0.000 1.043 -3.110) 3.280 7.425 ( 0.000 1.043 3.110) 3.280 8.051 ( -0.000 -6.766 -3.434) 7.588 8.051 ( -0.000 -6.766 3.434) 7.588 8.732 ( -0.000 -2.056 -2.281) 3.071 8.732 ( -0.000 -2.056 2.281) 3.071 9.484 ( 0.000 5.366 -18.026) 18.808 9.484 ( 0.000 5.366 18.026) 18.808 9.821 ( -0.000 -3.607 -30.509) 30.722 9.821 ( -0.000 -3.607 30.509) 30.722 10.612 ( -0.000 -4.771 -16.270) 16.955 10.612 ( -0.000 -4.771 16.270) 16.955 10.894 ( -0.000 -0.920 -8.678) 8.726 10.894 ( -0.000 -0.920 8.678) 8.726 11.542 ( -0.000 -2.249 -7.322) 7.660 11.542 ( -0.000 -2.249 7.322) 7.660 12.020 ( 0.000 4.012 -6.530) 7.664 12.020 ( 0.000 4.012 6.530) 7.664 12.350 ( -0.000 -1.165 -2.284) 2.564 12.350 ( -0.000 -1.165 2.284) 2.564 12.720 ( -0.000 -2.306 -2.895) 3.701 12.720 ( -0.000 -2.306 2.895) 3.701 13.373 ( -0.000 -1.277 -3.769) 3.979 13.373 ( -0.000 -1.277 3.769) 3.979 14.738 ( 0.000 2.097 -8.696) 8.945 14.738 ( 0.000 2.097 8.696) 8.945 14.780 ( -0.000 -0.051 -2.068) 2.069 14.780 ( -0.000 -0.051 2.068) 2.069 15.327 ( 0.000 4.965 -13.660) 14.535 15.327 ( 0.000 4.965 13.660) 14.535 15.695 ( -0.000 -4.802 -6.956) 8.452 15.695 ( -0.000 -4.802 6.956) 8.452 15.831 ( -0.000 -2.025 -5.792) 6.136 15.831 ( -0.000 -2.025 5.792) 6.136 17.220 ( 0.000 3.801 -7.544) 8.448 17.220 ( 0.000 3.801 7.544) 8.448 18.731 ( 0.000 5.851 -4.815) 7.578 18.731 ( 0.000 5.851 4.815) 7.578 19.197 ( 0.000 3.346 -15.190) 15.554 19.197 ( 0.000 3.346 15.190) 15.554 20.765 ( -0.000 -6.186 -15.860) 17.023 20.765 ( -0.000 -6.186 15.860) 17.023 22.190 ( 0.000 2.096 -7.149) 7.449 22.190 ( 0.000 2.096 7.149) 7.449 =================== 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 3/34992 10.0 487.589 723.645 868.606 0.000 0.000 -0.000 3/34992 20.0 392.775 453.844 554.361 0.000 0.000 -0.000 3/34992 30.0 201.658 213.355 295.461 0.000 0.000 -0.000 3/34992 40.0 127.586 125.561 187.746 0.000 0.000 -0.000 3/34992 50.0 90.528 83.693 131.005 0.000 0.000 -0.000 3/34992 60.0 67.998 59.790 97.007 0.000 0.000 -0.000 3/34992 70.0 52.907 44.823 74.700 0.000 0.000 -0.000 3/34992 80.0 42.273 34.914 59.239 0.000 0.000 -0.000 3/34992 90.0 34.541 28.074 48.146 0.000 0.000 -0.000 3/34992 100.0 28.787 23.184 39.978 0.000 0.000 -0.000 3/34992 110.0 24.420 19.577 33.831 0.000 0.000 -0.000 3/34992 120.0 21.045 16.846 29.114 0.000 0.000 -0.000 3/34992 130.0 18.393 14.727 25.426 0.000 0.000 -0.000 3/34992 140.0 16.277 13.050 22.494 0.000 0.000 -0.000 3/34992 150.0 14.564 11.697 20.126 0.000 0.000 -0.000 3/34992 160.0 13.157 10.589 18.186 0.000 0.000 -0.000 3/34992 170.0 11.987 9.668 16.575 0.000 0.000 -0.000 3/34992 180.0 11.003 8.892 15.221 0.000 0.000 -0.000 3/34992 190.0 10.166 8.231 14.071 0.000 0.000 -0.000 3/34992 200.0 9.447 7.662 13.083 0.000 0.000 -0.000 3/34992 210.0 8.824 7.168 12.227 0.000 0.000 -0.000 3/34992 220.0 8.280 6.735 11.479 0.000 0.000 -0.000 3/34992 230.0 7.801 6.352 10.821 0.000 0.000 -0.000 3/34992 240.0 7.375 6.013 10.237 0.000 0.000 -0.000 3/34992 250.0 6.996 5.709 9.716 0.000 0.000 -0.000 3/34992 260.0 6.655 5.435 9.247 0.000 0.000 -0.000 3/34992 270.0 6.348 5.188 8.825 0.000 0.000 -0.000 3/34992 280.0 6.069 4.963 8.441 0.000 0.000 -0.000 3/34992 290.0 5.815 4.757 8.092 0.000 0.000 -0.000 3/34992 300.0 5.582 4.569 7.771 0.000 0.000 -0.000 3/34992 310.0 5.368 4.396 7.477 0.000 0.000 -0.000 3/34992 320.0 5.171 4.236 7.206 0.000 0.000 -0.000 3/34992 330.0 4.988 4.088 6.954 0.000 0.000 -0.000 3/34992 340.0 4.819 3.950 6.721 0.000 0.000 -0.000 3/34992 350.0 4.661 3.822 6.504 0.000 0.000 -0.000 3/34992 360.0 4.514 3.702 6.301 0.000 0.000 -0.000 3/34992 370.0 4.376 3.590 6.111 0.000 0.000 -0.000 3/34992 380.0 4.247 3.485 5.933 0.000 0.000 -0.000 3/34992 390.0 4.126 3.386 5.765 0.000 0.000 -0.000 3/34992 400.0 4.012 3.292 5.607 0.000 0.000 -0.000 3/34992 410.0 3.904 3.204 5.458 0.000 0.000 -0.000 3/34992 420.0 3.802 3.121 5.317 0.000 0.000 -0.000 3/34992 430.0 3.705 3.042 5.184 0.000 0.000 -0.000 3/34992 440.0 3.614 2.967 5.057 0.000 0.000 -0.000 3/34992 450.0 3.527 2.896 4.937 0.000 0.000 -0.000 3/34992 460.0 3.444 2.828 4.822 0.000 0.000 -0.000 3/34992 470.0 3.366 2.764 4.713 0.000 0.000 -0.000 3/34992 480.0 3.291 2.702 4.609 0.000 0.000 -0.000 3/34992 490.0 3.219 2.643 4.510 0.000 0.000 -0.000 3/34992 500.0 3.150 2.587 4.414 0.000 0.000 -0.000 3/34992 510.0 3.085 2.533 4.323 0.000 0.000 -0.000 3/34992 520.0 3.022 2.482 4.236 0.000 0.000 -0.000 3/34992 530.0 2.962 2.433 4.153 0.000 0.000 -0.000 3/34992 540.0 2.904 2.385 4.072 0.000 0.000 -0.000 3/34992 550.0 2.849 2.340 3.995 0.000 0.000 -0.000 3/34992 560.0 2.795 2.296 3.921 0.000 0.000 -0.000 3/34992 570.0 2.744 2.254 3.849 0.000 0.000 -0.000 3/34992 580.0 2.694 2.213 3.781 0.000 0.000 -0.000 3/34992 590.0 2.647 2.174 3.714 0.000 0.000 -0.000 3/34992 600.0 2.601 2.136 3.650 0.000 0.000 -0.000 3/34992 610.0 2.557 2.100 3.589 0.000 0.000 -0.000 3/34992 620.0 2.514 2.065 3.529 0.000 0.000 -0.000 3/34992 630.0 2.472 2.031 3.471 0.000 0.000 -0.000 3/34992 640.0 2.432 1.998 3.415 0.000 0.000 -0.000 3/34992 650.0 2.394 1.966 3.361 0.000 0.000 -0.000 3/34992 660.0 2.356 1.935 3.309 0.000 0.000 -0.000 3/34992 670.0 2.320 1.906 3.259 0.000 0.000 -0.000 3/34992 680.0 2.285 1.877 3.210 0.000 0.000 -0.000 3/34992 690.0 2.251 1.849 3.162 0.000 0.000 -0.000 3/34992 700.0 2.218 1.822 3.116 0.000 0.000 -0.000 3/34992 710.0 2.186 1.795 3.071 0.000 0.000 -0.000 3/34992 720.0 2.154 1.770 3.027 0.000 0.000 -0.000 3/34992 730.0 2.124 1.745 2.985 0.000 0.000 -0.000 3/34992 740.0 2.095 1.721 2.944 0.000 0.000 -0.000 3/34992 750.0 2.066 1.697 2.904 0.000 0.000 -0.000 3/34992 760.0 2.038 1.674 2.865 0.000 0.000 -0.000 3/34992 770.0 2.011 1.652 2.827 0.000 0.000 -0.000 3/34992 780.0 1.985 1.630 2.791 0.000 0.000 -0.000 3/34992 790.0 1.959 1.609 2.755 0.000 0.000 -0.000 3/34992 800.0 1.934 1.589 2.720 0.000 0.000 -0.000 3/34992 810.0 1.910 1.569 2.686 0.000 0.000 -0.000 3/34992 820.0 1.886 1.549 2.652 0.000 0.000 -0.000 3/34992 830.0 1.863 1.530 2.620 0.000 0.000 -0.000 3/34992 840.0 1.841 1.512 2.588 0.000 0.000 -0.000 3/34992 850.0 1.819 1.494 2.558 0.000 0.000 -0.000 3/34992 860.0 1.797 1.476 2.527 0.000 0.000 -0.000 3/34992 870.0 1.776 1.459 2.498 0.000 0.000 -0.000 3/34992 880.0 1.756 1.442 2.469 0.000 0.000 -0.000 3/34992 890.0 1.736 1.425 2.441 0.000 0.000 -0.000 3/34992 900.0 1.716 1.409 2.414 0.000 0.000 -0.000 3/34992 910.0 1.697 1.394 2.387 0.000 0.000 -0.000 3/34992 920.0 1.678 1.378 2.361 0.000 0.000 -0.000 3/34992 930.0 1.660 1.363 2.335 0.000 0.000 -0.000 3/34992 940.0 1.642 1.349 2.310 0.000 0.000 -0.000 3/34992 950.0 1.625 1.334 2.286 0.000 0.000 -0.000 3/34992 960.0 1.607 1.320 2.262 0.000 0.000 -0.000 3/34992 970.0 1.591 1.306 2.238 0.000 0.000 -0.000 3/34992 980.0 1.574 1.293 2.215 0.000 0.000 -0.000 3/34992 990.0 1.558 1.280 2.193 0.000 0.000 -0.000 3/34992 1000.0 1.542 1.267 2.170 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:58:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|